USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 14 SER OG : rot 157:sc= 0 USER MOD Set 1.2: A 91 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-0.000597) USER MOD Single : A 2 SER OG : rot -22:sc= 0.534 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -3.37! C(o=-3.4!,f=-4.1!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.956 F(o=-1.8,f=-0.96) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -16:sc= 0.301 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.14! C(o=-4.1!,f=-7.5!) USER MOD Single : A 54 CYS SG : rot -29:sc= -2.25! USER MOD Single : A 65 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-3.6!) USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -21:sc= 0.286 USER MOD Single : A 72 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.071) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-2!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0981 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.639 -0.990 -1.250 1.00 0.00 N ATOM 2 CA GLY A 1 -12.152 -2.344 -1.441 1.00 0.00 C ATOM 3 C GLY A 1 -13.058 -3.381 -0.809 1.00 0.00 C ATOM 4 O GLY A 1 -13.374 -4.398 -1.426 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.994 -0.320 -1.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.588 -0.901 -1.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.684 -0.778 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.062 -2.547 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.153 -2.431 -1.014 1.00 0.00 H new ATOM 8 N SER A 2 -13.477 -3.125 0.427 1.00 0.00 N ATOM 9 CA SER A 2 -14.348 -4.047 1.145 1.00 0.00 C ATOM 10 C SER A 2 -13.930 -5.493 0.898 1.00 0.00 C ATOM 11 O SER A 2 -14.771 -6.367 0.690 1.00 0.00 O ATOM 12 CB SER A 2 -15.803 -3.845 0.718 1.00 0.00 C ATOM 13 OG SER A 2 -16.038 -4.394 -0.567 1.00 0.00 O ATOM 0 H SER A 2 -13.227 -2.287 0.951 1.00 0.00 H new ATOM 0 HA SER A 2 -14.257 -3.838 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.467 -4.314 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.039 -2.781 0.711 1.00 0.00 H new ATOM 0 HG SER A 2 -15.190 -4.462 -1.054 1.00 0.00 H new ATOM 19 N SER A 3 -12.623 -5.737 0.924 1.00 0.00 N ATOM 20 CA SER A 3 -12.091 -7.076 0.699 1.00 0.00 C ATOM 21 C SER A 3 -11.837 -7.790 2.023 1.00 0.00 C ATOM 22 O SER A 3 -11.070 -7.315 2.860 1.00 0.00 O ATOM 23 CB SER A 3 -10.795 -7.004 -0.111 1.00 0.00 C ATOM 24 OG SER A 3 -10.503 -8.250 -0.719 1.00 0.00 O ATOM 0 H SER A 3 -11.914 -5.025 1.099 1.00 0.00 H new ATOM 0 HA SER A 3 -12.832 -7.644 0.136 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.884 -6.234 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.971 -6.712 0.540 1.00 0.00 H new ATOM 0 HG SER A 3 -9.671 -8.177 -1.232 1.00 0.00 H new ATOM 30 N GLY A 4 -12.489 -8.935 2.206 1.00 0.00 N ATOM 31 CA GLY A 4 -12.321 -9.696 3.430 1.00 0.00 C ATOM 32 C GLY A 4 -12.941 -11.076 3.344 1.00 0.00 C ATOM 33 O GLY A 4 -12.399 -11.967 2.689 1.00 0.00 O ATOM 0 H GLY A 4 -13.130 -9.348 1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.258 -9.792 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.771 -9.150 4.259 1.00 0.00 H new ATOM 37 N SER A 5 -14.079 -11.255 4.007 1.00 0.00 N ATOM 38 CA SER A 5 -14.770 -12.539 4.007 1.00 0.00 C ATOM 39 C SER A 5 -15.198 -12.926 2.594 1.00 0.00 C ATOM 40 O SER A 5 -14.833 -13.989 2.092 1.00 0.00 O ATOM 41 CB SER A 5 -15.993 -12.484 4.925 1.00 0.00 C ATOM 42 OG SER A 5 -16.351 -13.779 5.375 1.00 0.00 O ATOM 0 H SER A 5 -14.542 -10.527 4.551 1.00 0.00 H new ATOM 0 HA SER A 5 -14.079 -13.295 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.781 -11.844 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.832 -12.036 4.392 1.00 0.00 H new ATOM 0 HG SER A 5 -17.134 -13.717 5.961 1.00 0.00 H new ATOM 48 N SER A 6 -15.975 -12.054 1.959 1.00 0.00 N ATOM 49 CA SER A 6 -16.456 -12.305 0.605 1.00 0.00 C ATOM 50 C SER A 6 -15.399 -13.030 -0.222 1.00 0.00 C ATOM 51 O SER A 6 -14.293 -12.528 -0.414 1.00 0.00 O ATOM 52 CB SER A 6 -16.837 -10.988 -0.075 1.00 0.00 C ATOM 53 OG SER A 6 -17.591 -11.222 -1.252 1.00 0.00 O ATOM 0 H SER A 6 -16.285 -11.169 2.360 1.00 0.00 H new ATOM 0 HA SER A 6 -17.339 -12.941 0.671 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.415 -10.373 0.615 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.935 -10.428 -0.322 1.00 0.00 H new ATOM 0 HG SER A 6 -17.824 -10.365 -1.667 1.00 0.00 H new ATOM 59 N GLY A 7 -15.749 -14.217 -0.709 1.00 0.00 N ATOM 60 CA GLY A 7 -14.821 -14.993 -1.510 1.00 0.00 C ATOM 61 C GLY A 7 -13.509 -15.247 -0.794 1.00 0.00 C ATOM 62 O GLY A 7 -13.344 -14.864 0.364 1.00 0.00 O ATOM 0 H GLY A 7 -16.659 -14.655 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.280 -15.947 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.625 -14.468 -2.445 1.00 0.00 H new ATOM 66 N GLN A 8 -12.576 -15.895 -1.483 1.00 0.00 N ATOM 67 CA GLN A 8 -11.273 -16.200 -0.904 1.00 0.00 C ATOM 68 C GLN A 8 -10.148 -15.797 -1.851 1.00 0.00 C ATOM 69 O GLN A 8 -10.040 -16.318 -2.961 1.00 0.00 O ATOM 70 CB GLN A 8 -11.173 -17.692 -0.581 1.00 0.00 C ATOM 71 CG GLN A 8 -12.110 -18.138 0.530 1.00 0.00 C ATOM 72 CD GLN A 8 -13.570 -18.061 0.128 1.00 0.00 C ATOM 73 OE1 GLN A 8 -14.374 -17.405 0.790 1.00 0.00 O ATOM 74 NE2 GLN A 8 -13.920 -18.733 -0.963 1.00 0.00 N ATOM 0 H GLN A 8 -12.698 -16.219 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.170 -15.627 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.392 -18.266 -1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.147 -17.926 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.869 -19.162 0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.946 -17.516 1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.220 -19.264 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.889 -18.718 -1.282 1.00 0.00 H new ATOM 83 N ALA A 9 -9.312 -14.864 -1.405 1.00 0.00 N ATOM 84 CA ALA A 9 -8.194 -14.392 -2.212 1.00 0.00 C ATOM 85 C ALA A 9 -6.892 -15.069 -1.797 1.00 0.00 C ATOM 86 O ALA A 9 -6.468 -14.966 -0.646 1.00 0.00 O ATOM 87 CB ALA A 9 -8.064 -12.880 -2.101 1.00 0.00 C ATOM 0 H ALA A 9 -9.388 -14.421 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.393 -14.653 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.225 -12.541 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.981 -12.409 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.892 -12.605 -1.060 1.00 0.00 H new ATOM 93 N SER A 10 -6.263 -15.761 -2.741 1.00 0.00 N ATOM 94 CA SER A 10 -5.011 -16.459 -2.471 1.00 0.00 C ATOM 95 C SER A 10 -3.843 -15.770 -3.171 1.00 0.00 C ATOM 96 O SER A 10 -2.989 -16.424 -3.767 1.00 0.00 O ATOM 97 CB SER A 10 -5.106 -17.916 -2.928 1.00 0.00 C ATOM 98 OG SER A 10 -4.171 -18.728 -2.239 1.00 0.00 O ATOM 0 H SER A 10 -6.599 -15.854 -3.699 1.00 0.00 H new ATOM 0 HA SER A 10 -4.834 -16.434 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.115 -18.290 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.924 -17.977 -4.001 1.00 0.00 H new ATOM 0 HG SER A 10 -4.252 -19.655 -2.548 1.00 0.00 H new ATOM 104 N GLY A 11 -3.814 -14.443 -3.092 1.00 0.00 N ATOM 105 CA GLY A 11 -2.748 -13.686 -3.722 1.00 0.00 C ATOM 106 C GLY A 11 -2.581 -12.306 -3.116 1.00 0.00 C ATOM 107 O GLY A 11 -1.594 -12.037 -2.430 1.00 0.00 O ATOM 0 H GLY A 11 -4.509 -13.879 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.812 -14.236 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.956 -13.589 -4.788 1.00 0.00 H new ATOM 111 N HIS A 12 -3.546 -11.429 -3.370 1.00 0.00 N ATOM 112 CA HIS A 12 -3.500 -10.068 -2.845 1.00 0.00 C ATOM 113 C HIS A 12 -4.504 -9.890 -1.710 1.00 0.00 C ATOM 114 O HIS A 12 -5.510 -10.596 -1.641 1.00 0.00 O ATOM 115 CB HIS A 12 -3.786 -9.060 -3.958 1.00 0.00 C ATOM 116 CG HIS A 12 -3.138 -9.407 -5.263 1.00 0.00 C ATOM 117 ND1 HIS A 12 -1.944 -9.986 -5.531 1.00 0.00 N flip ATOM 118 CD2 HIS A 12 -3.725 -9.158 -6.485 1.00 0.00 C flip ATOM 119 CE1 HIS A 12 -1.834 -10.077 -6.897 1.00 0.00 C flip ATOM 120 NE2 HIS A 12 -2.922 -9.571 -7.449 1.00 0.00 N flip ATOM 0 H HIS A 12 -4.369 -11.635 -3.936 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.499 -9.889 -2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.864 -8.990 -4.105 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.442 -8.075 -3.642 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -4.691 -8.697 -6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.994 -10.494 -7.433 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.110 -9.510 -8.450 1.00 0.00 H new ATOM 129 N PHE A 13 -4.223 -8.942 -0.822 1.00 0.00 N ATOM 130 CA PHE A 13 -5.101 -8.673 0.311 1.00 0.00 C ATOM 131 C PHE A 13 -5.064 -7.194 0.688 1.00 0.00 C ATOM 132 O PHE A 13 -4.183 -6.453 0.251 1.00 0.00 O ATOM 133 CB PHE A 13 -4.694 -9.527 1.513 1.00 0.00 C ATOM 134 CG PHE A 13 -3.327 -9.203 2.044 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.154 -8.203 2.988 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.214 -9.899 1.599 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.897 -7.903 3.477 1.00 0.00 C ATOM 138 CE2 PHE A 13 -0.954 -9.603 2.085 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.796 -8.604 3.026 1.00 0.00 C ATOM 0 H PHE A 13 -3.395 -8.348 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.119 -8.931 0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.426 -9.391 2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.724 -10.579 1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.011 -7.652 3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.332 -10.682 0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.776 -7.121 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.095 -10.152 1.730 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.187 -8.372 3.408 1.00 0.00 H new ATOM 149 N SER A 14 -6.027 -6.772 1.501 1.00 0.00 N ATOM 150 CA SER A 14 -6.108 -5.382 1.933 1.00 0.00 C ATOM 151 C SER A 14 -5.796 -5.257 3.421 1.00 0.00 C ATOM 152 O SER A 14 -5.869 -6.234 4.167 1.00 0.00 O ATOM 153 CB SER A 14 -7.500 -4.816 1.643 1.00 0.00 C ATOM 154 OG SER A 14 -8.481 -5.434 2.457 1.00 0.00 O ATOM 0 H SER A 14 -6.762 -7.373 1.874 1.00 0.00 H new ATOM 0 HA SER A 14 -5.367 -4.810 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.502 -3.740 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.746 -4.968 0.592 1.00 0.00 H new ATOM 0 HG SER A 14 -9.258 -4.842 2.539 1.00 0.00 H new ATOM 160 N VAL A 15 -5.447 -4.047 3.846 1.00 0.00 N ATOM 161 CA VAL A 15 -5.124 -3.792 5.245 1.00 0.00 C ATOM 162 C VAL A 15 -6.024 -2.709 5.828 1.00 0.00 C ATOM 163 O VAL A 15 -6.024 -1.571 5.362 1.00 0.00 O ATOM 164 CB VAL A 15 -3.653 -3.366 5.413 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.285 -3.286 6.887 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.733 -4.329 4.677 1.00 0.00 C ATOM 0 H VAL A 15 -5.381 -3.228 3.242 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.288 -4.726 5.783 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.528 -2.375 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.242 -2.984 6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.923 -2.554 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.425 -4.263 7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.698 -4.013 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.859 -5.333 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.982 -4.331 3.616 1.00 0.00 H new ATOM 176 N GLU A 16 -6.791 -3.073 6.852 1.00 0.00 N ATOM 177 CA GLU A 16 -7.697 -2.131 7.499 1.00 0.00 C ATOM 178 C GLU A 16 -7.154 -1.699 8.858 1.00 0.00 C ATOM 179 O GLU A 16 -6.744 -2.531 9.668 1.00 0.00 O ATOM 180 CB GLU A 16 -9.084 -2.757 7.667 1.00 0.00 C ATOM 181 CG GLU A 16 -9.696 -3.239 6.363 1.00 0.00 C ATOM 182 CD GLU A 16 -10.520 -2.169 5.674 1.00 0.00 C ATOM 183 OE1 GLU A 16 -9.961 -1.095 5.368 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.724 -2.405 5.441 1.00 0.00 O ATOM 0 H GLU A 16 -6.803 -4.012 7.250 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.778 -1.249 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.013 -3.597 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.751 -2.025 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.902 -3.568 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.326 -4.106 6.561 1.00 0.00 H new ATOM 191 N LEU A 17 -7.153 -0.393 9.100 1.00 0.00 N ATOM 192 CA LEU A 17 -6.660 0.151 10.360 1.00 0.00 C ATOM 193 C LEU A 17 -7.376 1.453 10.709 1.00 0.00 C ATOM 194 O LEU A 17 -7.897 2.141 9.832 1.00 0.00 O ATOM 195 CB LEU A 17 -5.151 0.391 10.279 1.00 0.00 C ATOM 196 CG LEU A 17 -4.318 -0.760 9.716 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.944 -0.266 9.290 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.191 -1.878 10.740 1.00 0.00 C ATOM 0 H LEU A 17 -7.488 0.309 8.440 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.864 -0.576 11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.976 1.274 9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.786 0.622 11.280 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.828 -1.156 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.365 -1.099 8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.055 0.499 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.426 0.157 10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.595 -2.689 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.705 -1.496 11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.183 -2.252 10.996 1.00 0.00 H new ATOM 210 N VAL A 18 -7.395 1.785 11.996 1.00 0.00 N ATOM 211 CA VAL A 18 -8.043 3.005 12.461 1.00 0.00 C ATOM 212 C VAL A 18 -7.018 4.013 12.968 1.00 0.00 C ATOM 213 O VAL A 18 -6.344 3.777 13.970 1.00 0.00 O ATOM 214 CB VAL A 18 -9.056 2.711 13.583 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.710 3.997 14.064 1.00 0.00 C ATOM 216 CG2 VAL A 18 -10.104 1.716 13.107 1.00 0.00 C ATOM 0 H VAL A 18 -6.969 1.226 12.735 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.572 3.427 11.606 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.522 2.268 14.423 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.422 3.768 14.857 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.945 4.673 14.447 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.232 4.473 13.233 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.812 1.520 13.912 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.635 2.129 12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.617 0.785 12.817 1.00 0.00 H new ATOM 226 N ARG A 19 -6.906 5.138 12.269 1.00 0.00 N ATOM 227 CA ARG A 19 -5.963 6.183 12.648 1.00 0.00 C ATOM 228 C ARG A 19 -5.841 6.280 14.166 1.00 0.00 C ATOM 229 O ARG A 19 -6.787 6.665 14.851 1.00 0.00 O ATOM 230 CB ARG A 19 -6.403 7.530 12.073 1.00 0.00 C ATOM 231 CG ARG A 19 -5.602 8.709 12.602 1.00 0.00 C ATOM 232 CD ARG A 19 -5.791 9.944 11.735 1.00 0.00 C ATOM 233 NE ARG A 19 -4.970 11.063 12.191 1.00 0.00 N ATOM 234 CZ ARG A 19 -4.908 12.233 11.564 1.00 0.00 C ATOM 235 NH1 ARG A 19 -5.615 12.435 10.461 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.138 13.202 12.040 1.00 0.00 N ATOM 0 H ARG A 19 -7.457 5.349 11.437 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.987 5.923 12.238 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.313 7.499 10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.457 7.686 12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.909 8.930 13.624 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.545 8.446 12.637 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.537 9.705 10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.841 10.237 11.745 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.414 10.939 13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.208 11.692 10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.566 13.334 9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.592 13.050 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.091 14.100 11.558 1.00 0.00 H new ATOM 250 N GLY A 20 -4.668 5.928 14.684 1.00 0.00 N ATOM 251 CA GLY A 20 -4.444 5.983 16.117 1.00 0.00 C ATOM 252 C GLY A 20 -3.756 7.263 16.548 1.00 0.00 C ATOM 253 O GLY A 20 -4.072 8.344 16.050 1.00 0.00 O ATOM 0 H GLY A 20 -3.869 5.606 14.137 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.399 5.896 16.634 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.838 5.129 16.420 1.00 0.00 H new ATOM 257 N TYR A 21 -2.815 7.143 17.477 1.00 0.00 N ATOM 258 CA TYR A 21 -2.084 8.301 17.978 1.00 0.00 C ATOM 259 C TYR A 21 -0.936 8.668 17.042 1.00 0.00 C ATOM 260 O TYR A 21 -0.093 7.832 16.719 1.00 0.00 O ATOM 261 CB TYR A 21 -1.542 8.020 19.381 1.00 0.00 C ATOM 262 CG TYR A 21 -1.180 9.269 20.152 1.00 0.00 C ATOM 263 CD1 TYR A 21 -0.020 9.977 19.862 1.00 0.00 C ATOM 264 CD2 TYR A 21 -1.999 9.743 21.170 1.00 0.00 C ATOM 265 CE1 TYR A 21 0.315 11.118 20.564 1.00 0.00 C ATOM 266 CE2 TYR A 21 -1.673 10.885 21.876 1.00 0.00 C ATOM 267 CZ TYR A 21 -0.514 11.568 21.570 1.00 0.00 C ATOM 268 OH TYR A 21 -0.185 12.706 22.270 1.00 0.00 O ATOM 0 H TYR A 21 -2.540 6.256 17.899 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.775 9.143 18.024 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.288 7.459 19.944 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.660 7.385 19.300 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.631 9.629 19.074 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.906 9.209 21.413 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.221 11.655 20.326 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.322 11.241 22.663 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.874 12.887 22.943 1.00 0.00 H new ATOM 278 N ALA A 22 -0.912 9.925 16.611 1.00 0.00 N ATOM 279 CA ALA A 22 0.132 10.405 15.715 1.00 0.00 C ATOM 280 C ALA A 22 0.056 9.708 14.360 1.00 0.00 C ATOM 281 O ALA A 22 1.077 9.329 13.788 1.00 0.00 O ATOM 282 CB ALA A 22 1.503 10.196 16.341 1.00 0.00 C ATOM 0 H ALA A 22 -1.604 10.629 16.868 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.024 11.472 15.555 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.273 10.559 15.660 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.561 10.745 17.281 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.658 9.134 16.531 1.00 0.00 H new ATOM 288 N GLY A 23 -1.162 9.542 13.853 1.00 0.00 N ATOM 289 CA GLY A 23 -1.349 8.890 12.570 1.00 0.00 C ATOM 290 C GLY A 23 -1.464 7.384 12.696 1.00 0.00 C ATOM 291 O GLY A 23 -1.902 6.872 13.726 1.00 0.00 O ATOM 0 H GLY A 23 -2.022 9.847 14.308 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.248 9.281 12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.511 9.134 11.917 1.00 0.00 H new ATOM 295 N PHE A 24 -1.072 6.672 11.645 1.00 0.00 N ATOM 296 CA PHE A 24 -1.136 5.215 11.641 1.00 0.00 C ATOM 297 C PHE A 24 0.183 4.612 12.116 1.00 0.00 C ATOM 298 O PHE A 24 0.204 3.552 12.740 1.00 0.00 O ATOM 299 CB PHE A 24 -1.469 4.702 10.239 1.00 0.00 C ATOM 300 CG PHE A 24 -2.922 4.832 9.882 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.837 3.875 10.288 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.372 5.912 9.140 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.175 3.992 9.962 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.709 6.035 8.811 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.611 5.073 9.221 1.00 0.00 C ATOM 0 H PHE A 24 -0.706 7.080 10.785 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.924 4.909 12.329 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.873 5.251 9.509 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.177 3.654 10.166 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.501 3.027 10.866 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.670 6.666 8.815 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.878 3.239 10.286 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.048 6.883 8.234 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.656 5.166 8.963 1.00 0.00 H new ATOM 315 N GLY A 25 1.283 5.295 11.815 1.00 0.00 N ATOM 316 CA GLY A 25 2.590 4.812 12.217 1.00 0.00 C ATOM 317 C GLY A 25 3.225 3.917 11.171 1.00 0.00 C ATOM 318 O GLY A 25 4.040 3.052 11.495 1.00 0.00 O ATOM 0 H GLY A 25 1.292 6.175 11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.245 5.662 12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.498 4.262 13.154 1.00 0.00 H new ATOM 322 N LEU A 26 2.851 4.123 9.913 1.00 0.00 N ATOM 323 CA LEU A 26 3.388 3.327 8.815 1.00 0.00 C ATOM 324 C LEU A 26 4.245 4.184 7.890 1.00 0.00 C ATOM 325 O LEU A 26 3.802 5.224 7.401 1.00 0.00 O ATOM 326 CB LEU A 26 2.250 2.682 8.023 1.00 0.00 C ATOM 327 CG LEU A 26 2.665 1.662 6.962 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.256 0.422 7.615 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.477 1.291 6.086 1.00 0.00 C ATOM 0 H LEU A 26 2.178 4.835 9.628 1.00 0.00 H new ATOM 0 HA LEU A 26 4.016 2.544 9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.577 2.191 8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.680 3.473 7.535 1.00 0.00 H new ATOM 0 HG LEU A 26 3.430 2.114 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.545 -0.292 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.133 0.701 8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.514 -0.033 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.790 0.564 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.690 0.859 6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.098 2.184 5.589 1.00 0.00 H new ATOM 341 N THR A 27 5.476 3.740 7.651 1.00 0.00 N ATOM 342 CA THR A 27 6.395 4.465 6.783 1.00 0.00 C ATOM 343 C THR A 27 6.911 3.573 5.660 1.00 0.00 C ATOM 344 O THR A 27 7.323 2.436 5.896 1.00 0.00 O ATOM 345 CB THR A 27 7.594 5.021 7.574 1.00 0.00 C ATOM 346 OG1 THR A 27 7.134 5.878 8.624 1.00 0.00 O ATOM 347 CG2 THR A 27 8.536 5.791 6.660 1.00 0.00 C ATOM 0 H THR A 27 5.859 2.881 8.047 1.00 0.00 H new ATOM 0 HA THR A 27 5.835 5.296 6.354 1.00 0.00 H new ATOM 0 HB THR A 27 8.138 4.180 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.903 6.226 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.375 6.174 7.241 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.908 5.128 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.001 6.624 6.204 1.00 0.00 H new ATOM 355 N LEU A 28 6.886 4.094 4.438 1.00 0.00 N ATOM 356 CA LEU A 28 7.353 3.343 3.277 1.00 0.00 C ATOM 357 C LEU A 28 8.720 3.841 2.821 1.00 0.00 C ATOM 358 O LEU A 28 8.997 5.039 2.848 1.00 0.00 O ATOM 359 CB LEU A 28 6.346 3.461 2.131 1.00 0.00 C ATOM 360 CG LEU A 28 5.124 2.546 2.214 1.00 0.00 C ATOM 361 CD1 LEU A 28 3.937 3.175 1.502 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.440 1.180 1.623 1.00 0.00 C ATOM 0 H LEU A 28 6.548 5.032 4.225 1.00 0.00 H new ATOM 0 HA LEU A 28 7.446 2.296 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.999 4.493 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.866 3.256 1.195 1.00 0.00 H new ATOM 0 HG LEU A 28 4.863 2.414 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.077 2.509 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.696 4.130 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.186 3.338 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.559 0.542 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.727 1.293 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.261 0.725 2.177 1.00 0.00 H new ATOM 374 N GLY A 29 9.573 2.911 2.401 1.00 0.00 N ATOM 375 CA GLY A 29 10.901 3.275 1.943 1.00 0.00 C ATOM 376 C GLY A 29 11.181 2.790 0.534 1.00 0.00 C ATOM 377 O GLY A 29 11.338 1.593 0.301 1.00 0.00 O ATOM 0 H GLY A 29 9.368 1.912 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.010 4.359 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.644 2.857 2.622 1.00 0.00 H new ATOM 381 N GLY A 30 11.242 3.725 -0.411 1.00 0.00 N ATOM 382 CA GLY A 30 11.504 3.367 -1.792 1.00 0.00 C ATOM 383 C GLY A 30 10.594 4.095 -2.762 1.00 0.00 C ATOM 384 O GLY A 30 10.430 5.311 -2.676 1.00 0.00 O ATOM 0 H GLY A 30 11.115 4.723 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.543 3.594 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.376 2.292 -1.916 1.00 0.00 H new ATOM 388 N GLY A 31 10.001 3.348 -3.689 1.00 0.00 N ATOM 389 CA GLY A 31 9.111 3.948 -4.667 1.00 0.00 C ATOM 390 C GLY A 31 9.861 4.571 -5.827 1.00 0.00 C ATOM 391 O GLY A 31 11.030 4.261 -6.057 1.00 0.00 O ATOM 0 H GLY A 31 10.121 2.339 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.428 3.188 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.502 4.710 -4.181 1.00 0.00 H new ATOM 395 N ARG A 32 9.187 5.451 -6.561 1.00 0.00 N ATOM 396 CA ARG A 32 9.796 6.117 -7.705 1.00 0.00 C ATOM 397 C ARG A 32 10.637 7.309 -7.257 1.00 0.00 C ATOM 398 O ARG A 32 10.112 8.286 -6.724 1.00 0.00 O ATOM 399 CB ARG A 32 8.718 6.580 -8.686 1.00 0.00 C ATOM 400 CG ARG A 32 9.244 6.852 -10.086 1.00 0.00 C ATOM 401 CD ARG A 32 8.174 6.614 -11.140 1.00 0.00 C ATOM 402 NE ARG A 32 8.088 5.208 -11.525 1.00 0.00 N ATOM 403 CZ ARG A 32 7.114 4.710 -12.278 1.00 0.00 C ATOM 404 NH1 ARG A 32 6.148 5.500 -12.725 1.00 0.00 N ATOM 405 NH2 ARG A 32 7.106 3.420 -12.587 1.00 0.00 N ATOM 0 H ARG A 32 8.219 5.719 -6.383 1.00 0.00 H new ATOM 0 HA ARG A 32 10.449 5.401 -8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.939 5.820 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.252 7.487 -8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.596 7.882 -10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.101 6.209 -10.285 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.208 6.945 -10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.392 7.218 -12.021 1.00 0.00 H new ATOM 0 HE ARG A 32 8.816 4.573 -11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.152 6.493 -12.491 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.401 5.115 -13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.848 2.809 -12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.357 3.039 -13.165 1.00 0.00 H new ATOM 419 N ASP A 33 11.944 7.220 -7.476 1.00 0.00 N ATOM 420 CA ASP A 33 12.858 8.291 -7.096 1.00 0.00 C ATOM 421 C ASP A 33 13.497 8.923 -8.328 1.00 0.00 C ATOM 422 O ASP A 33 13.740 8.250 -9.329 1.00 0.00 O ATOM 423 CB ASP A 33 13.943 7.756 -6.160 1.00 0.00 C ATOM 424 CG ASP A 33 13.367 7.105 -4.918 1.00 0.00 C ATOM 425 OD1 ASP A 33 12.696 7.810 -4.136 1.00 0.00 O ATOM 426 OD2 ASP A 33 13.589 5.891 -4.727 1.00 0.00 O ATOM 0 H ASP A 33 12.395 6.417 -7.915 1.00 0.00 H new ATOM 0 HA ASP A 33 12.284 9.057 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.556 7.031 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.601 8.574 -5.866 1.00 0.00 H new ATOM 431 N VAL A 34 13.768 10.222 -8.247 1.00 0.00 N ATOM 432 CA VAL A 34 14.379 10.946 -9.355 1.00 0.00 C ATOM 433 C VAL A 34 15.746 10.369 -9.701 1.00 0.00 C ATOM 434 O VAL A 34 16.303 10.656 -10.760 1.00 0.00 O ATOM 435 CB VAL A 34 14.534 12.444 -9.030 1.00 0.00 C ATOM 436 CG1 VAL A 34 13.171 13.100 -8.872 1.00 0.00 C ATOM 437 CG2 VAL A 34 15.373 12.632 -7.775 1.00 0.00 C ATOM 0 H VAL A 34 13.574 10.794 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 34 13.713 10.834 -10.211 1.00 0.00 H new ATOM 0 HB VAL A 34 15.049 12.927 -9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.301 14.158 -8.643 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.608 12.996 -9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.627 12.617 -8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.473 13.696 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.887 12.136 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 34 16.361 12.199 -7.930 1.00 0.00 H new ATOM 447 N ALA A 35 16.283 9.552 -8.800 1.00 0.00 N ATOM 448 CA ALA A 35 17.584 8.931 -9.011 1.00 0.00 C ATOM 449 C ALA A 35 17.436 7.472 -9.432 1.00 0.00 C ATOM 450 O ALA A 35 18.275 6.936 -10.154 1.00 0.00 O ATOM 451 CB ALA A 35 18.429 9.035 -7.750 1.00 0.00 C ATOM 0 H ALA A 35 15.836 9.305 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 35 18.086 9.465 -9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.398 8.567 -7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.573 10.085 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.922 8.528 -6.929 1.00 0.00 H new ATOM 457 N GLY A 36 16.362 6.836 -8.974 1.00 0.00 N ATOM 458 CA GLY A 36 16.123 5.445 -9.313 1.00 0.00 C ATOM 459 C GLY A 36 14.687 5.027 -9.068 1.00 0.00 C ATOM 460 O GLY A 36 13.875 5.820 -8.592 1.00 0.00 O ATOM 0 H GLY A 36 15.653 7.259 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.372 5.282 -10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.788 4.812 -8.726 1.00 0.00 H new ATOM 464 N ASP A 37 14.372 3.778 -9.396 1.00 0.00 N ATOM 465 CA ASP A 37 13.023 3.256 -9.209 1.00 0.00 C ATOM 466 C ASP A 37 13.043 1.997 -8.349 1.00 0.00 C ATOM 467 O ASP A 37 13.909 1.136 -8.506 1.00 0.00 O ATOM 468 CB ASP A 37 12.379 2.954 -10.563 1.00 0.00 C ATOM 469 CG ASP A 37 10.868 2.870 -10.479 1.00 0.00 C ATOM 470 OD1 ASP A 37 10.257 3.770 -9.867 1.00 0.00 O ATOM 471 OD2 ASP A 37 10.296 1.903 -11.025 1.00 0.00 O ATOM 0 H ASP A 37 15.032 3.109 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 37 12.433 4.015 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.658 3.730 -11.276 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.772 2.012 -10.947 1.00 0.00 H new ATOM 476 N THR A 38 12.081 1.895 -7.436 1.00 0.00 N ATOM 477 CA THR A 38 11.989 0.743 -6.548 1.00 0.00 C ATOM 478 C THR A 38 10.554 0.521 -6.083 1.00 0.00 C ATOM 479 O THR A 38 9.785 1.464 -5.893 1.00 0.00 O ATOM 480 CB THR A 38 12.897 0.909 -5.315 1.00 0.00 C ATOM 481 OG1 THR A 38 12.564 2.116 -4.621 1.00 0.00 O ATOM 482 CG2 THR A 38 14.362 0.940 -5.723 1.00 0.00 C ATOM 0 H THR A 38 11.355 2.597 -7.293 1.00 0.00 H new ATOM 0 HA THR A 38 12.321 -0.124 -7.119 1.00 0.00 H new ATOM 0 HB THR A 38 12.738 0.056 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.028 2.692 -5.205 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.984 1.058 -4.836 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.620 0.008 -6.226 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.533 1.777 -6.400 1.00 0.00 H new ATOM 490 N PRO A 39 10.183 -0.754 -5.893 1.00 0.00 N ATOM 491 CA PRO A 39 8.838 -1.128 -5.445 1.00 0.00 C ATOM 492 C PRO A 39 8.579 -0.734 -3.995 1.00 0.00 C ATOM 493 O PRO A 39 9.274 -1.187 -3.084 1.00 0.00 O ATOM 494 CB PRO A 39 8.826 -2.652 -5.596 1.00 0.00 C ATOM 495 CG PRO A 39 10.257 -3.054 -5.494 1.00 0.00 C ATOM 496 CD PRO A 39 11.048 -1.927 -6.100 1.00 0.00 C ATOM 0 HA PRO A 39 8.062 -0.622 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.226 -3.122 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.398 -2.952 -6.553 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.543 -3.217 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.439 -3.988 -6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.014 -1.805 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.246 -2.099 -7.158 1.00 0.00 H new ATOM 504 N LEU A 40 7.575 0.111 -3.787 1.00 0.00 N ATOM 505 CA LEU A 40 7.223 0.566 -2.447 1.00 0.00 C ATOM 506 C LEU A 40 6.997 -0.618 -1.512 1.00 0.00 C ATOM 507 O LEU A 40 6.235 -1.532 -1.825 1.00 0.00 O ATOM 508 CB LEU A 40 5.968 1.439 -2.496 1.00 0.00 C ATOM 509 CG LEU A 40 6.199 2.935 -2.707 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.962 3.588 -3.304 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.577 3.606 -1.394 1.00 0.00 C ATOM 0 H LEU A 40 6.990 0.495 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 40 8.054 1.157 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.327 1.074 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.419 1.304 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 40 7.024 3.060 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.146 4.653 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.735 3.127 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.117 3.453 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.738 4.671 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.772 3.471 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.492 3.158 -1.007 1.00 0.00 H new ATOM 523 N ALA A 41 7.663 -0.593 -0.362 1.00 0.00 N ATOM 524 CA ALA A 41 7.532 -1.661 0.621 1.00 0.00 C ATOM 525 C ALA A 41 7.668 -1.122 2.040 1.00 0.00 C ATOM 526 O ALA A 41 8.473 -0.227 2.300 1.00 0.00 O ATOM 527 CB ALA A 41 8.568 -2.745 0.364 1.00 0.00 C ATOM 0 H ALA A 41 8.299 0.156 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 41 6.537 -2.094 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.458 -3.536 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.421 -3.160 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.568 -2.317 0.435 1.00 0.00 H new ATOM 533 N VAL A 42 6.877 -1.671 2.956 1.00 0.00 N ATOM 534 CA VAL A 42 6.910 -1.245 4.350 1.00 0.00 C ATOM 535 C VAL A 42 8.344 -1.100 4.846 1.00 0.00 C ATOM 536 O VAL A 42 9.134 -2.042 4.777 1.00 0.00 O ATOM 537 CB VAL A 42 6.162 -2.238 5.259 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.312 -1.843 6.720 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.694 -2.317 4.867 1.00 0.00 C ATOM 0 H VAL A 42 6.205 -2.412 2.758 1.00 0.00 H new ATOM 0 HA VAL A 42 6.412 -0.276 4.397 1.00 0.00 H new ATOM 0 HB VAL A 42 6.603 -3.226 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.777 -2.556 7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.368 -1.843 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.899 -0.846 6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.181 -3.023 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.237 -1.332 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.611 -2.652 3.833 1.00 0.00 H new ATOM 549 N ARG A 43 8.674 0.086 5.347 1.00 0.00 N ATOM 550 CA ARG A 43 10.014 0.355 5.855 1.00 0.00 C ATOM 551 C ARG A 43 10.075 0.147 7.365 1.00 0.00 C ATOM 552 O ARG A 43 10.693 -0.802 7.847 1.00 0.00 O ATOM 553 CB ARG A 43 10.436 1.784 5.509 1.00 0.00 C ATOM 554 CG ARG A 43 11.928 2.033 5.663 1.00 0.00 C ATOM 555 CD ARG A 43 12.280 2.451 7.082 1.00 0.00 C ATOM 556 NE ARG A 43 13.645 2.960 7.180 1.00 0.00 N ATOM 557 CZ ARG A 43 14.723 2.184 7.147 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.594 0.871 7.020 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.932 2.722 7.242 1.00 0.00 N ATOM 0 H ARG A 43 8.032 0.876 5.412 1.00 0.00 H new ATOM 0 HA ARG A 43 10.702 -0.345 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.144 2.001 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.892 2.479 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.478 1.129 5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.242 2.809 4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.582 3.218 7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.162 1.598 7.751 1.00 0.00 H new ATOM 0 HE ARG A 43 13.778 3.966 7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.666 0.454 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.423 0.277 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.034 3.732 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.759 2.126 7.217 1.00 0.00 H new ATOM 573 N GLY A 44 9.429 1.041 8.108 1.00 0.00 N ATOM 574 CA GLY A 44 9.423 0.938 9.555 1.00 0.00 C ATOM 575 C GLY A 44 8.033 0.712 10.114 1.00 0.00 C ATOM 576 O GLY A 44 7.035 1.032 9.467 1.00 0.00 O ATOM 0 H GLY A 44 8.910 1.835 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.072 0.117 9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.840 1.850 9.983 1.00 0.00 H new ATOM 580 N LEU A 45 7.964 0.158 11.320 1.00 0.00 N ATOM 581 CA LEU A 45 6.685 -0.112 11.966 1.00 0.00 C ATOM 582 C LEU A 45 6.619 0.547 13.340 1.00 0.00 C ATOM 583 O LEU A 45 7.341 0.162 14.261 1.00 0.00 O ATOM 584 CB LEU A 45 6.468 -1.621 12.101 1.00 0.00 C ATOM 585 CG LEU A 45 5.780 -2.308 10.921 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.924 -3.818 11.025 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.312 -1.913 10.856 1.00 0.00 C ATOM 0 H LEU A 45 8.779 -0.113 11.870 1.00 0.00 H new ATOM 0 HA LEU A 45 5.896 0.309 11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.437 -2.095 12.257 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.876 -1.804 12.998 1.00 0.00 H new ATOM 0 HG LEU A 45 6.264 -1.980 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.428 -4.290 10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.981 -4.084 11.021 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.466 -4.164 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.838 -2.411 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.814 -2.211 11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.231 -0.833 10.733 1.00 0.00 H new ATOM 599 N LEU A 46 5.747 1.541 13.472 1.00 0.00 N ATOM 600 CA LEU A 46 5.585 2.253 14.735 1.00 0.00 C ATOM 601 C LEU A 46 5.390 1.276 15.890 1.00 0.00 C ATOM 602 O LEU A 46 4.479 0.449 15.871 1.00 0.00 O ATOM 603 CB LEU A 46 4.393 3.209 14.654 1.00 0.00 C ATOM 604 CG LEU A 46 4.473 4.457 15.533 1.00 0.00 C ATOM 605 CD1 LEU A 46 4.184 4.107 16.985 1.00 0.00 C ATOM 606 CD2 LEU A 46 5.839 5.115 15.403 1.00 0.00 C ATOM 0 H LEU A 46 5.142 1.872 12.721 1.00 0.00 H new ATOM 0 HA LEU A 46 6.493 2.828 14.919 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.277 3.526 13.618 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.492 2.658 14.922 1.00 0.00 H new ATOM 0 HG LEU A 46 3.717 5.165 15.194 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.246 5.008 17.596 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.183 3.682 17.065 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.916 3.380 17.337 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.877 6.002 16.036 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.612 4.413 15.715 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.007 5.402 14.365 1.00 0.00 H new ATOM 618 N LYS A 47 6.251 1.379 16.896 1.00 0.00 N ATOM 619 CA LYS A 47 6.174 0.508 18.063 1.00 0.00 C ATOM 620 C LYS A 47 4.772 0.527 18.663 1.00 0.00 C ATOM 621 O LYS A 47 4.202 1.592 18.899 1.00 0.00 O ATOM 622 CB LYS A 47 7.197 0.938 19.116 1.00 0.00 C ATOM 623 CG LYS A 47 7.493 -0.134 20.150 1.00 0.00 C ATOM 624 CD LYS A 47 6.418 -0.186 21.223 1.00 0.00 C ATOM 625 CE LYS A 47 6.204 1.177 21.864 1.00 0.00 C ATOM 626 NZ LYS A 47 5.758 1.060 23.280 1.00 0.00 N ATOM 0 H LYS A 47 7.012 2.058 16.927 1.00 0.00 H new ATOM 0 HA LYS A 47 6.400 -0.509 17.742 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.125 1.215 18.617 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.830 1.830 19.624 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.565 -1.104 19.659 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.460 0.062 20.612 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.482 -0.535 20.786 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.701 -0.909 21.988 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.131 1.748 21.821 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.460 1.734 21.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.623 2.010 23.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.860 0.537 23.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.479 0.551 23.830 1.00 0.00 H new ATOM 640 N ASP A 48 4.222 -0.657 18.909 1.00 0.00 N ATOM 641 CA ASP A 48 2.888 -0.777 19.485 1.00 0.00 C ATOM 642 C ASP A 48 1.882 0.066 18.706 1.00 0.00 C ATOM 643 O ASP A 48 1.017 0.716 19.290 1.00 0.00 O ATOM 644 CB ASP A 48 2.902 -0.347 20.953 1.00 0.00 C ATOM 645 CG ASP A 48 1.536 -0.453 21.600 1.00 0.00 C ATOM 646 OD1 ASP A 48 1.092 -1.589 21.870 1.00 0.00 O ATOM 647 OD2 ASP A 48 0.909 0.601 21.838 1.00 0.00 O ATOM 0 H ASP A 48 4.680 -1.548 18.718 1.00 0.00 H new ATOM 0 HA ASP A 48 2.585 -1.822 19.423 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.610 -0.966 21.503 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.256 0.682 21.024 1.00 0.00 H new ATOM 652 N GLY A 49 2.005 0.050 17.382 1.00 0.00 N ATOM 653 CA GLY A 49 1.102 0.817 16.544 1.00 0.00 C ATOM 654 C GLY A 49 0.003 -0.037 15.943 1.00 0.00 C ATOM 655 O GLY A 49 -0.032 -1.255 16.117 1.00 0.00 O ATOM 0 H GLY A 49 2.714 -0.480 16.875 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.655 1.617 17.134 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.669 1.291 15.743 1.00 0.00 H new ATOM 659 N PRO A 50 -0.923 0.608 15.217 1.00 0.00 N ATOM 660 CA PRO A 50 -2.046 -0.081 14.575 1.00 0.00 C ATOM 661 C PRO A 50 -1.599 -0.955 13.408 1.00 0.00 C ATOM 662 O PRO A 50 -2.139 -2.039 13.190 1.00 0.00 O ATOM 663 CB PRO A 50 -2.927 1.067 14.076 1.00 0.00 C ATOM 664 CG PRO A 50 -1.993 2.214 13.902 1.00 0.00 C ATOM 665 CD PRO A 50 -0.944 2.059 14.968 1.00 0.00 C ATOM 0 HA PRO A 50 -2.554 -0.760 15.260 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.418 0.810 13.137 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.714 1.302 14.793 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.544 2.205 12.909 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.518 3.164 14.006 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.027 2.423 14.632 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.200 2.618 15.868 1.00 0.00 H new ATOM 673 N ALA A 51 -0.609 -0.476 12.661 1.00 0.00 N ATOM 674 CA ALA A 51 -0.088 -1.216 11.518 1.00 0.00 C ATOM 675 C ALA A 51 0.813 -2.360 11.969 1.00 0.00 C ATOM 676 O ALA A 51 0.880 -3.402 11.319 1.00 0.00 O ATOM 677 CB ALA A 51 0.668 -0.282 10.585 1.00 0.00 C ATOM 0 H ALA A 51 -0.152 0.421 12.827 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.933 -1.645 10.979 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.052 -0.848 9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.004 0.498 10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.499 0.174 11.122 1.00 0.00 H new ATOM 683 N GLN A 52 1.506 -2.156 13.086 1.00 0.00 N ATOM 684 CA GLN A 52 2.405 -3.171 13.622 1.00 0.00 C ATOM 685 C GLN A 52 1.628 -4.239 14.384 1.00 0.00 C ATOM 686 O GLN A 52 1.953 -5.425 14.317 1.00 0.00 O ATOM 687 CB GLN A 52 3.445 -2.527 14.540 1.00 0.00 C ATOM 688 CG GLN A 52 4.331 -3.534 15.256 1.00 0.00 C ATOM 689 CD GLN A 52 5.063 -4.453 14.297 1.00 0.00 C ATOM 690 OE1 GLN A 52 4.444 -5.146 13.490 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.388 -4.462 14.381 1.00 0.00 N ATOM 0 H GLN A 52 1.462 -1.298 13.636 1.00 0.00 H new ATOM 0 HA GLN A 52 2.915 -3.648 12.785 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.072 -1.858 13.951 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.933 -1.914 15.282 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.058 -3.001 15.869 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.721 -4.133 15.933 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.860 -3.871 15.065 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.934 -5.060 13.761 1.00 0.00 H new ATOM 700 N ARG A 53 0.600 -3.811 15.110 1.00 0.00 N ATOM 701 CA ARG A 53 -0.223 -4.731 15.886 1.00 0.00 C ATOM 702 C ARG A 53 -0.998 -5.673 14.970 1.00 0.00 C ATOM 703 O ARG A 53 -1.045 -6.882 15.203 1.00 0.00 O ATOM 704 CB ARG A 53 -1.195 -3.952 16.775 1.00 0.00 C ATOM 705 CG ARG A 53 -0.574 -3.459 18.071 1.00 0.00 C ATOM 706 CD ARG A 53 -1.581 -2.698 18.918 1.00 0.00 C ATOM 707 NE ARG A 53 -1.646 -1.285 18.554 1.00 0.00 N ATOM 708 CZ ARG A 53 -2.578 -0.452 19.003 1.00 0.00 C ATOM 709 NH1 ARG A 53 -3.519 -0.888 19.830 1.00 0.00 N ATOM 710 NH2 ARG A 53 -2.571 0.820 18.626 1.00 0.00 N ATOM 0 H ARG A 53 0.317 -2.833 15.177 1.00 0.00 H new ATOM 0 HA ARG A 53 0.437 -5.327 16.516 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.578 -3.097 16.218 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.048 -4.588 17.010 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.189 -4.307 18.637 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.275 -2.814 17.846 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.567 -3.148 18.801 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.312 -2.789 19.970 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.936 -0.918 17.920 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.528 -1.865 20.123 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.234 -0.246 20.173 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.849 1.160 17.990 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.288 1.458 18.972 1.00 0.00 H new ATOM 724 N CYS A 54 -1.604 -5.112 13.930 1.00 0.00 N ATOM 725 CA CYS A 54 -2.379 -5.902 12.979 1.00 0.00 C ATOM 726 C CYS A 54 -1.517 -6.989 12.346 1.00 0.00 C ATOM 727 O CYS A 54 -1.979 -8.104 12.110 1.00 0.00 O ATOM 728 CB CYS A 54 -2.964 -5.000 11.891 1.00 0.00 C ATOM 729 SG CYS A 54 -1.731 -4.310 10.763 1.00 0.00 S ATOM 0 H CYS A 54 -1.574 -4.114 13.723 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.195 -6.380 13.521 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.691 -5.571 11.313 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.506 -4.181 12.365 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.599 -4.173 11.388 1.00 0.00 H new ATOM 735 N GLY A 55 -0.259 -6.655 12.071 1.00 0.00 N ATOM 736 CA GLY A 55 0.648 -7.613 11.466 1.00 0.00 C ATOM 737 C GLY A 55 0.586 -7.592 9.951 1.00 0.00 C ATOM 738 O GLY A 55 1.616 -7.662 9.281 1.00 0.00 O ATOM 0 H GLY A 55 0.148 -5.738 12.257 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.667 -7.398 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.406 -8.614 11.823 1.00 0.00 H new ATOM 742 N ARG A 56 -0.624 -7.498 9.411 1.00 0.00 N ATOM 743 CA ARG A 56 -0.816 -7.471 7.966 1.00 0.00 C ATOM 744 C ARG A 56 0.333 -6.740 7.278 1.00 0.00 C ATOM 745 O ARG A 56 0.759 -7.118 6.186 1.00 0.00 O ATOM 746 CB ARG A 56 -2.145 -6.797 7.618 1.00 0.00 C ATOM 747 CG ARG A 56 -3.352 -7.704 7.795 1.00 0.00 C ATOM 748 CD ARG A 56 -3.596 -8.027 9.261 1.00 0.00 C ATOM 749 NE ARG A 56 -2.856 -9.211 9.690 1.00 0.00 N ATOM 750 CZ ARG A 56 -3.198 -9.951 10.739 1.00 0.00 C ATOM 751 NH1 ARG A 56 -4.262 -9.631 11.462 1.00 0.00 N ATOM 752 NH2 ARG A 56 -2.475 -11.014 11.067 1.00 0.00 N ATOM 0 H ARG A 56 -1.487 -7.439 9.952 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.835 -8.501 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.270 -5.914 8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.108 -6.452 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.235 -7.222 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.199 -8.628 7.238 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.303 -7.174 9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.662 -8.186 9.425 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.032 -9.485 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.821 -8.815 11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.522 -10.201 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.655 -11.264 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.739 -11.581 11.873 1.00 0.00 H new ATOM 766 N LEU A 57 0.830 -5.690 7.924 1.00 0.00 N ATOM 767 CA LEU A 57 1.930 -4.905 7.375 1.00 0.00 C ATOM 768 C LEU A 57 3.218 -5.155 8.151 1.00 0.00 C ATOM 769 O LEU A 57 3.283 -4.921 9.357 1.00 0.00 O ATOM 770 CB LEU A 57 1.583 -3.415 7.406 1.00 0.00 C ATOM 771 CG LEU A 57 0.295 -3.010 6.689 1.00 0.00 C ATOM 772 CD1 LEU A 57 -0.203 -1.669 7.203 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.516 -2.958 5.184 1.00 0.00 C ATOM 0 H LEU A 57 0.489 -5.363 8.828 1.00 0.00 H new ATOM 0 HA LEU A 57 2.085 -5.215 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.509 -3.101 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.411 -2.861 6.964 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.466 -3.761 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.120 -1.397 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.401 -1.740 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.555 -0.907 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.411 -2.668 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.293 -2.228 4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.825 -3.941 4.827 1.00 0.00 H new ATOM 785 N GLU A 58 4.243 -5.631 7.450 1.00 0.00 N ATOM 786 CA GLU A 58 5.530 -5.911 8.074 1.00 0.00 C ATOM 787 C GLU A 58 6.680 -5.489 7.163 1.00 0.00 C ATOM 788 O GLU A 58 6.527 -5.420 5.943 1.00 0.00 O ATOM 789 CB GLU A 58 5.648 -7.400 8.405 1.00 0.00 C ATOM 790 CG GLU A 58 4.839 -7.819 9.621 1.00 0.00 C ATOM 791 CD GLU A 58 4.647 -9.321 9.705 1.00 0.00 C ATOM 792 OE1 GLU A 58 3.698 -9.833 9.074 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.444 -9.984 10.401 1.00 0.00 O ATOM 0 H GLU A 58 4.206 -5.830 6.450 1.00 0.00 H new ATOM 0 HA GLU A 58 5.590 -5.335 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.321 -7.982 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.697 -7.644 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.340 -7.469 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.864 -7.333 9.589 1.00 0.00 H new ATOM 800 N VAL A 59 7.831 -5.207 7.765 1.00 0.00 N ATOM 801 CA VAL A 59 9.007 -4.792 7.010 1.00 0.00 C ATOM 802 C VAL A 59 9.318 -5.779 5.891 1.00 0.00 C ATOM 803 O VAL A 59 9.662 -6.933 6.145 1.00 0.00 O ATOM 804 CB VAL A 59 10.242 -4.660 7.921 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.467 -4.272 7.108 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.982 -3.646 9.025 1.00 0.00 C ATOM 0 H VAL A 59 7.974 -5.258 8.774 1.00 0.00 H new ATOM 0 HA VAL A 59 8.778 -3.818 6.578 1.00 0.00 H new ATOM 0 HB VAL A 59 10.435 -5.627 8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.329 -4.184 7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.663 -5.037 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.289 -3.317 6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.864 -3.565 9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.763 -2.674 8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.132 -3.971 9.625 1.00 0.00 H new ATOM 816 N GLY A 60 9.196 -5.318 4.650 1.00 0.00 N ATOM 817 CA GLY A 60 9.468 -6.173 3.510 1.00 0.00 C ATOM 818 C GLY A 60 8.269 -6.316 2.593 1.00 0.00 C ATOM 819 O GLY A 60 8.418 -6.395 1.373 1.00 0.00 O ATOM 0 H GLY A 60 8.913 -4.367 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.306 -5.765 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.771 -7.159 3.863 1.00 0.00 H new ATOM 823 N ASP A 61 7.078 -6.351 3.180 1.00 0.00 N ATOM 824 CA ASP A 61 5.849 -6.486 2.408 1.00 0.00 C ATOM 825 C ASP A 61 5.878 -5.586 1.177 1.00 0.00 C ATOM 826 O ASP A 61 6.347 -4.448 1.238 1.00 0.00 O ATOM 827 CB ASP A 61 4.636 -6.145 3.276 1.00 0.00 C ATOM 828 CG ASP A 61 4.237 -7.289 4.187 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.125 -8.075 4.578 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.035 -7.398 4.510 1.00 0.00 O ATOM 0 H ASP A 61 6.938 -6.288 4.188 1.00 0.00 H new ATOM 0 HA ASP A 61 5.770 -7.521 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.860 -5.265 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.795 -5.885 2.634 1.00 0.00 H new ATOM 835 N LEU A 62 5.376 -6.101 0.061 1.00 0.00 N ATOM 836 CA LEU A 62 5.345 -5.344 -1.186 1.00 0.00 C ATOM 837 C LEU A 62 3.967 -4.733 -1.418 1.00 0.00 C ATOM 838 O LEU A 62 2.945 -5.399 -1.255 1.00 0.00 O ATOM 839 CB LEU A 62 5.720 -6.247 -2.363 1.00 0.00 C ATOM 840 CG LEU A 62 6.984 -7.089 -2.187 1.00 0.00 C ATOM 841 CD1 LEU A 62 7.047 -8.183 -3.242 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.224 -6.210 -2.253 1.00 0.00 C ATOM 0 H LEU A 62 4.984 -7.040 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 62 6.072 -4.536 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.885 -6.919 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.843 -5.623 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 62 6.950 -7.561 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.953 -8.772 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.175 -8.830 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.058 -7.732 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.114 -6.826 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.264 -5.710 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.183 -5.463 -1.460 1.00 0.00 H new ATOM 854 N VAL A 63 3.948 -3.460 -1.801 1.00 0.00 N ATOM 855 CA VAL A 63 2.696 -2.758 -2.059 1.00 0.00 C ATOM 856 C VAL A 63 2.412 -2.672 -3.554 1.00 0.00 C ATOM 857 O VAL A 63 3.218 -2.142 -4.321 1.00 0.00 O ATOM 858 CB VAL A 63 2.717 -1.336 -1.469 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.332 -0.711 -1.531 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.236 -1.361 -0.039 1.00 0.00 C ATOM 0 H VAL A 63 4.785 -2.894 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 63 1.906 -3.332 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 63 3.392 -0.723 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.367 0.294 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.003 -0.658 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.632 -1.320 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.244 -0.348 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.588 -1.989 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.248 -1.765 -0.026 1.00 0.00 H new ATOM 870 N LEU A 64 1.262 -3.196 -3.964 1.00 0.00 N ATOM 871 CA LEU A 64 0.871 -3.178 -5.369 1.00 0.00 C ATOM 872 C LEU A 64 -0.128 -2.057 -5.642 1.00 0.00 C ATOM 873 O LEU A 64 -0.160 -1.492 -6.736 1.00 0.00 O ATOM 874 CB LEU A 64 0.265 -4.524 -5.768 1.00 0.00 C ATOM 875 CG LEU A 64 1.152 -5.750 -5.549 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.305 -7.009 -5.437 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.163 -5.885 -6.678 1.00 0.00 C ATOM 0 H LEU A 64 0.584 -3.638 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 64 1.765 -2.998 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.659 -4.664 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.005 -4.480 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 64 1.696 -5.618 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.954 -7.871 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.380 -6.913 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.267 -7.146 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.786 -6.763 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.637 -5.994 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.792 -4.995 -6.712 1.00 0.00 H new ATOM 889 N HIS A 65 -0.940 -1.739 -4.639 1.00 0.00 N ATOM 890 CA HIS A 65 -1.938 -0.683 -4.770 1.00 0.00 C ATOM 891 C HIS A 65 -2.240 -0.049 -3.415 1.00 0.00 C ATOM 892 O HIS A 65 -1.732 -0.493 -2.385 1.00 0.00 O ATOM 893 CB HIS A 65 -3.224 -1.240 -5.383 1.00 0.00 C ATOM 894 CG HIS A 65 -3.006 -1.967 -6.674 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.512 -1.357 -7.807 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.216 -3.262 -7.007 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.429 -2.244 -8.782 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.850 -3.409 -8.323 1.00 0.00 N ATOM 0 H HIS A 65 -0.927 -2.197 -3.728 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.533 0.085 -5.429 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.694 -1.917 -4.669 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.922 -0.420 -5.551 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.600 -4.036 -6.359 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.077 -2.050 -9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.896 -4.276 -8.858 1.00 0.00 H new ATOM 907 N ILE A 66 -3.067 0.990 -3.425 1.00 0.00 N ATOM 908 CA ILE A 66 -3.436 1.684 -2.197 1.00 0.00 C ATOM 909 C ILE A 66 -4.804 2.343 -2.327 1.00 0.00 C ATOM 910 O ILE A 66 -5.100 2.989 -3.332 1.00 0.00 O ATOM 911 CB ILE A 66 -2.395 2.756 -1.822 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.048 2.102 -1.508 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.882 3.575 -0.636 1.00 0.00 C ATOM 914 CD1 ILE A 66 0.039 3.096 -1.161 1.00 0.00 C ATOM 0 H ILE A 66 -3.495 1.370 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.472 0.932 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.263 3.426 -2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.175 1.409 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.730 1.513 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.136 4.328 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.820 4.066 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.039 2.918 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.966 2.563 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.193 3.774 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.258 3.668 -0.282 1.00 0.00 H new ATOM 926 N ASN A 67 -5.635 2.178 -1.303 1.00 0.00 N ATOM 927 CA ASN A 67 -6.973 2.758 -1.303 1.00 0.00 C ATOM 928 C ASN A 67 -7.653 2.560 -2.654 1.00 0.00 C ATOM 929 O ASN A 67 -8.327 3.456 -3.159 1.00 0.00 O ATOM 930 CB ASN A 67 -6.904 4.250 -0.968 1.00 0.00 C ATOM 931 CG ASN A 67 -6.684 4.501 0.511 1.00 0.00 C ATOM 932 OD1 ASN A 67 -5.519 5.039 0.853 1.00 0.00 O flip ATOM 933 ND2 ASN A 67 -7.551 4.214 1.337 1.00 0.00 N flip ATOM 0 H ASN A 67 -5.405 1.647 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.563 2.248 -0.542 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.095 4.710 -1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.829 4.733 -1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.432 3.802 1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.388 4.388 2.329 1.00 0.00 H new ATOM 940 N GLY A 68 -7.470 1.377 -3.234 1.00 0.00 N ATOM 941 CA GLY A 68 -8.072 1.082 -4.521 1.00 0.00 C ATOM 942 C GLY A 68 -7.541 1.972 -5.628 1.00 0.00 C ATOM 943 O GLY A 68 -8.267 2.313 -6.560 1.00 0.00 O ATOM 0 H GLY A 68 -6.916 0.619 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.884 0.039 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.153 1.203 -4.449 1.00 0.00 H new ATOM 947 N GLU A 69 -6.270 2.349 -5.523 1.00 0.00 N ATOM 948 CA GLU A 69 -5.644 3.206 -6.523 1.00 0.00 C ATOM 949 C GLU A 69 -4.487 2.487 -7.209 1.00 0.00 C ATOM 950 O GLU A 69 -4.163 1.348 -6.873 1.00 0.00 O ATOM 951 CB GLU A 69 -5.143 4.499 -5.875 1.00 0.00 C ATOM 952 CG GLU A 69 -6.257 5.385 -5.343 1.00 0.00 C ATOM 953 CD GLU A 69 -6.760 6.374 -6.377 1.00 0.00 C ATOM 954 OE1 GLU A 69 -5.922 7.036 -7.024 1.00 0.00 O ATOM 955 OE2 GLU A 69 -7.994 6.485 -6.539 1.00 0.00 O ATOM 0 H GLU A 69 -5.655 2.075 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.394 3.451 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.468 4.248 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.562 5.060 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.086 4.760 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.898 5.929 -4.470 1.00 0.00 H new ATOM 962 N SER A 70 -3.867 3.160 -8.173 1.00 0.00 N ATOM 963 CA SER A 70 -2.749 2.584 -8.911 1.00 0.00 C ATOM 964 C SER A 70 -1.454 3.329 -8.602 1.00 0.00 C ATOM 965 O SER A 70 -1.312 4.511 -8.916 1.00 0.00 O ATOM 966 CB SER A 70 -3.027 2.625 -10.414 1.00 0.00 C ATOM 967 OG SER A 70 -1.832 2.463 -11.159 1.00 0.00 O ATOM 0 H SER A 70 -4.120 4.105 -8.461 1.00 0.00 H new ATOM 0 HA SER A 70 -2.635 1.546 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.733 1.838 -10.678 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.496 3.574 -10.674 1.00 0.00 H new ATOM 0 HG SER A 70 -2.037 2.491 -12.117 1.00 0.00 H new ATOM 973 N THR A 71 -0.509 2.628 -7.983 1.00 0.00 N ATOM 974 CA THR A 71 0.775 3.221 -7.629 1.00 0.00 C ATOM 975 C THR A 71 1.632 3.454 -8.868 1.00 0.00 C ATOM 976 O THR A 71 2.609 4.202 -8.825 1.00 0.00 O ATOM 977 CB THR A 71 1.552 2.331 -6.641 1.00 0.00 C ATOM 978 OG1 THR A 71 2.804 2.943 -6.311 1.00 0.00 O ATOM 979 CG2 THR A 71 1.797 0.951 -7.234 1.00 0.00 C ATOM 0 H THR A 71 -0.609 1.649 -7.716 1.00 0.00 H new ATOM 0 HA THR A 71 0.561 4.178 -7.153 1.00 0.00 H new ATOM 0 HB THR A 71 0.953 2.220 -5.737 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.048 3.585 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.347 0.340 -6.518 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.842 0.476 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.378 1.047 -8.151 1.00 0.00 H new ATOM 987 N GLN A 72 1.260 2.811 -9.970 1.00 0.00 N ATOM 988 CA GLN A 72 1.996 2.950 -11.221 1.00 0.00 C ATOM 989 C GLN A 72 2.029 4.406 -11.674 1.00 0.00 C ATOM 990 O GLN A 72 2.884 4.800 -12.466 1.00 0.00 O ATOM 991 CB GLN A 72 1.365 2.079 -12.308 1.00 0.00 C ATOM 992 CG GLN A 72 2.164 2.045 -13.601 1.00 0.00 C ATOM 993 CD GLN A 72 3.301 1.043 -13.558 1.00 0.00 C ATOM 994 OE1 GLN A 72 3.090 -0.142 -13.296 1.00 0.00 O ATOM 995 NE2 GLN A 72 4.516 1.514 -13.815 1.00 0.00 N ATOM 0 H GLN A 72 0.453 2.189 -10.022 1.00 0.00 H new ATOM 0 HA GLN A 72 3.020 2.619 -11.050 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.258 1.062 -11.930 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.362 2.448 -12.520 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.499 1.799 -14.428 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.567 3.038 -13.801 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.645 2.503 -14.027 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.320 0.886 -13.800 1.00 0.00 H new ATOM 1004 N GLY A 73 1.091 5.200 -11.167 1.00 0.00 N ATOM 1005 CA GLY A 73 1.031 6.603 -11.533 1.00 0.00 C ATOM 1006 C GLY A 73 1.343 7.520 -10.366 1.00 0.00 C ATOM 1007 O GLY A 73 1.497 8.729 -10.542 1.00 0.00 O ATOM 0 H GLY A 73 0.372 4.897 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.737 6.795 -12.341 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.037 6.833 -11.917 1.00 0.00 H new ATOM 1011 N LEU A 74 1.435 6.945 -9.172 1.00 0.00 N ATOM 1012 CA LEU A 74 1.730 7.719 -7.971 1.00 0.00 C ATOM 1013 C LEU A 74 3.155 7.461 -7.494 1.00 0.00 C ATOM 1014 O LEU A 74 3.659 6.341 -7.582 1.00 0.00 O ATOM 1015 CB LEU A 74 0.737 7.371 -6.861 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.744 7.507 -7.217 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.597 6.659 -6.287 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -1.174 8.966 -7.156 1.00 0.00 C ATOM 0 H LEU A 74 1.310 5.946 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 74 1.635 8.777 -8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.921 6.344 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.944 8.010 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.888 7.148 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.648 6.769 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.306 5.613 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.450 6.987 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.231 9.045 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.015 9.350 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.585 9.549 -7.864 1.00 0.00 H new ATOM 1030 N THR A 75 3.801 8.506 -6.986 1.00 0.00 N ATOM 1031 CA THR A 75 5.168 8.394 -6.493 1.00 0.00 C ATOM 1032 C THR A 75 5.192 8.145 -4.989 1.00 0.00 C ATOM 1033 O THR A 75 4.146 7.978 -4.361 1.00 0.00 O ATOM 1034 CB THR A 75 5.984 9.662 -6.805 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.295 10.820 -6.320 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.223 9.797 -8.301 1.00 0.00 C ATOM 0 H THR A 75 3.399 9.440 -6.905 1.00 0.00 H new ATOM 0 HA THR A 75 5.620 7.545 -7.006 1.00 0.00 H new ATOM 0 HB THR A 75 6.949 9.579 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.821 11.622 -6.521 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.801 10.700 -8.497 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.774 8.928 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.266 9.860 -8.818 1.00 0.00 H new ATOM 1044 N HIS A 76 6.391 8.123 -4.416 1.00 0.00 N ATOM 1045 CA HIS A 76 6.551 7.896 -2.984 1.00 0.00 C ATOM 1046 C HIS A 76 5.808 8.959 -2.180 1.00 0.00 C ATOM 1047 O HIS A 76 5.248 8.671 -1.122 1.00 0.00 O ATOM 1048 CB HIS A 76 8.033 7.898 -2.608 1.00 0.00 C ATOM 1049 CG HIS A 76 8.279 8.099 -1.144 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.160 9.324 -0.522 1.00 0.00 N ATOM 1051 CD2 HIS A 76 8.637 7.222 -0.178 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.436 9.192 0.763 1.00 0.00 C ATOM 1053 NE2 HIS A 76 8.729 7.926 0.998 1.00 0.00 N ATOM 0 H HIS A 76 7.266 8.260 -4.921 1.00 0.00 H new ATOM 0 HA HIS A 76 6.125 6.921 -2.745 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.479 6.953 -2.917 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.540 8.686 -3.165 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.817 6.165 -0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.424 9.985 1.497 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.982 7.535 1.905 1.00 0.00 H new ATOM 1062 N ALA A 77 5.808 10.186 -2.688 1.00 0.00 N ATOM 1063 CA ALA A 77 5.133 11.291 -2.018 1.00 0.00 C ATOM 1064 C ALA A 77 3.618 11.143 -2.105 1.00 0.00 C ATOM 1065 O ALA A 77 2.934 11.072 -1.085 1.00 0.00 O ATOM 1066 CB ALA A 77 5.571 12.619 -2.618 1.00 0.00 C ATOM 0 H ALA A 77 6.268 10.441 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 77 5.414 11.270 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.059 13.435 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.648 12.735 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.320 12.640 -3.679 1.00 0.00 H new ATOM 1072 N GLN A 78 3.102 11.097 -3.329 1.00 0.00 N ATOM 1073 CA GLN A 78 1.667 10.958 -3.548 1.00 0.00 C ATOM 1074 C GLN A 78 1.105 9.788 -2.747 1.00 0.00 C ATOM 1075 O GLN A 78 0.164 9.949 -1.971 1.00 0.00 O ATOM 1076 CB GLN A 78 1.373 10.762 -5.036 1.00 0.00 C ATOM 1077 CG GLN A 78 1.705 11.977 -5.887 1.00 0.00 C ATOM 1078 CD GLN A 78 0.871 12.049 -7.151 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.359 12.038 -7.098 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.538 12.125 -8.297 1.00 0.00 N ATOM 0 H GLN A 78 3.656 11.154 -4.184 1.00 0.00 H new ATOM 0 HA GLN A 78 1.183 11.873 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.942 9.907 -5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.318 10.519 -5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.547 12.882 -5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.761 11.951 -6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.558 12.131 -8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.030 12.177 -9.180 1.00 0.00 H new ATOM 1089 N ALA A 79 1.688 8.610 -2.943 1.00 0.00 N ATOM 1090 CA ALA A 79 1.246 7.412 -2.238 1.00 0.00 C ATOM 1091 C ALA A 79 0.970 7.711 -0.768 1.00 0.00 C ATOM 1092 O ALA A 79 -0.041 7.278 -0.216 1.00 0.00 O ATOM 1093 CB ALA A 79 2.286 6.310 -2.368 1.00 0.00 C ATOM 0 H ALA A 79 2.467 8.459 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 79 0.315 7.074 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.943 5.422 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.432 6.070 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.229 6.648 -1.939 1.00 0.00 H new ATOM 1099 N VAL A 80 1.876 8.454 -0.140 1.00 0.00 N ATOM 1100 CA VAL A 80 1.730 8.810 1.266 1.00 0.00 C ATOM 1101 C VAL A 80 0.557 9.762 1.473 1.00 0.00 C ATOM 1102 O VAL A 80 -0.131 9.702 2.491 1.00 0.00 O ATOM 1103 CB VAL A 80 3.011 9.465 1.815 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.815 9.894 3.262 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.192 8.514 1.688 1.00 0.00 C ATOM 0 H VAL A 80 2.718 8.821 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 80 1.543 7.884 1.809 1.00 0.00 H new ATOM 0 HB VAL A 80 3.225 10.355 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.731 10.355 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.998 10.613 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.576 9.022 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.089 8.993 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.989 7.605 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.345 8.262 0.639 1.00 0.00 H new ATOM 1115 N GLU A 81 0.336 10.640 0.499 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.754 11.606 0.575 1.00 0.00 C ATOM 1117 C GLU A 81 -2.106 10.911 0.443 1.00 0.00 C ATOM 1118 O GLU A 81 -3.085 11.311 1.074 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.604 12.664 -0.520 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.780 13.623 -0.605 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.639 14.621 -1.737 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -1.507 14.185 -2.900 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -1.660 15.839 -1.460 1.00 0.00 O ATOM 0 H GLU A 81 0.897 10.702 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.708 12.092 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.307 13.235 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.483 12.165 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.699 13.053 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.874 14.161 0.338 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.152 9.869 -0.380 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.384 9.119 -0.596 1.00 0.00 C ATOM 1132 C ARG A 82 -3.874 8.492 0.706 1.00 0.00 C ATOM 1133 O ARG A 82 -5.055 8.578 1.041 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.165 8.030 -1.648 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.817 8.574 -3.024 1.00 0.00 C ATOM 1136 CD ARG A 82 -3.954 9.405 -3.599 1.00 0.00 C ATOM 1137 NE ARG A 82 -5.164 8.612 -3.800 1.00 0.00 N ATOM 1138 CZ ARG A 82 -6.343 9.138 -4.114 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.470 10.449 -4.262 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -7.398 8.350 -4.282 1.00 0.00 N ATOM 0 H ARG A 82 -1.350 9.525 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.145 9.813 -0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.364 7.370 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.067 7.423 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.916 9.184 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.593 7.747 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.172 10.235 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.642 9.838 -4.550 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.100 7.600 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.661 11.057 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.377 10.850 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.304 7.341 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.303 8.754 -4.523 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.959 7.861 1.434 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.298 7.220 2.698 1.00 0.00 C ATOM 1156 C ILE A 83 -3.902 8.221 3.677 1.00 0.00 C ATOM 1157 O ILE A 83 -5.070 8.114 4.049 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.064 6.566 3.347 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.339 5.677 2.334 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.473 5.759 4.570 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.150 4.944 2.914 1.00 0.00 C ATOM 0 H ILE A 83 -1.977 7.780 1.170 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.032 6.447 2.472 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.381 7.353 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.044 4.949 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.004 6.291 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.590 5.303 5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.950 6.417 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.173 4.978 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.314 4.334 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.575 5.666 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.481 4.303 3.731 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.098 9.196 4.090 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.553 10.217 5.026 1.00 0.00 C ATOM 1175 C ARG A 84 -4.858 10.847 4.550 1.00 0.00 C ATOM 1176 O ARG A 84 -5.830 10.928 5.300 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.484 11.298 5.193 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.303 10.861 6.045 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.559 11.110 7.523 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.209 12.472 7.917 1.00 0.00 N ATOM 1181 CZ ARG A 84 0.042 12.897 8.059 1.00 0.00 C ATOM 1182 NH1 ARG A 84 1.055 12.071 7.840 1.00 0.00 N ATOM 1183 NH2 ARG A 84 0.280 14.151 8.420 1.00 0.00 N ATOM 0 H ARG A 84 -2.128 9.300 3.791 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.730 9.739 5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.121 11.593 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.939 12.180 5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.108 9.801 5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.409 11.401 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.610 10.927 7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.981 10.401 8.116 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.966 13.133 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.875 11.106 7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.014 12.400 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.497 14.789 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.240 14.477 8.529 1.00 0.00 H new ATOM 1197 N ALA A 85 -4.872 11.292 3.298 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.058 11.914 2.721 1.00 0.00 C ATOM 1199 C ALA A 85 -7.235 10.944 2.708 1.00 0.00 C ATOM 1200 O ALA A 85 -8.388 11.349 2.851 1.00 0.00 O ATOM 1201 CB ALA A 85 -5.763 12.408 1.313 1.00 0.00 C ATOM 0 H ALA A 85 -4.075 11.233 2.664 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.330 12.766 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.657 12.870 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.957 13.141 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.463 11.567 0.688 1.00 0.00 H new ATOM 1207 N GLY A 86 -6.936 9.660 2.534 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.980 8.652 2.504 1.00 0.00 C ATOM 1209 C GLY A 86 -9.048 8.893 3.553 1.00 0.00 C ATOM 1210 O GLY A 86 -10.240 8.785 3.270 1.00 0.00 O ATOM 0 H GLY A 86 -5.989 9.300 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.441 8.640 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.536 7.669 2.661 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.619 9.218 4.768 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.559 9.468 5.845 1.00 0.00 C ATOM 1216 C GLY A 87 -9.222 8.690 7.101 1.00 0.00 C ATOM 1217 O GLY A 87 -8.079 8.288 7.320 1.00 0.00 O ATOM 0 H GLY A 87 -7.637 9.313 5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.570 10.534 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.563 9.202 5.515 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.233 8.469 7.954 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.063 7.733 9.211 1.00 0.00 C ATOM 1223 C PRO A 88 -9.801 6.248 8.983 1.00 0.00 C ATOM 1224 O PRO A 88 -9.337 5.546 9.880 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.401 7.936 9.926 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.380 8.189 8.832 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.621 8.919 7.758 1.00 0.00 C ATOM 0 HA PRO A 88 -9.203 8.089 9.778 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.676 7.057 10.508 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.356 8.776 10.619 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.791 7.254 8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.220 8.784 9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.989 8.666 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.712 10.000 7.866 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.100 5.778 7.776 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.897 4.376 7.431 1.00 0.00 C ATOM 1237 C GLN A 89 -8.696 4.212 6.506 1.00 0.00 C ATOM 1238 O GLN A 89 -8.568 4.919 5.506 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.151 3.806 6.765 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.373 3.806 7.669 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.547 3.062 7.063 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.925 3.303 5.916 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -14.131 2.151 7.833 1.00 0.00 N ATOM 0 H GLN A 89 -10.483 6.347 7.021 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.701 3.826 8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.372 4.386 5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.948 2.785 6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.113 3.351 8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.667 4.835 7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.785 1.984 8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.926 1.618 7.480 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.818 3.275 6.846 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.626 3.017 6.045 1.00 0.00 C ATOM 1254 C LEU A 90 -6.789 1.745 5.219 1.00 0.00 C ATOM 1255 O LEU A 90 -7.149 0.692 5.746 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.397 2.898 6.948 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.170 2.228 6.328 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.895 2.740 6.980 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.267 0.715 6.458 1.00 0.00 C ATOM 0 H LEU A 90 -7.909 2.681 7.670 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.489 3.856 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.113 3.898 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.679 2.339 7.840 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.138 2.481 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.033 2.252 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.820 3.818 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.917 2.518 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.386 0.254 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.324 0.443 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.161 0.362 5.944 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.519 1.850 3.922 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.633 0.707 3.022 1.00 0.00 C ATOM 1273 C HIS A 91 -5.389 0.576 2.149 1.00 0.00 C ATOM 1274 O HIS A 91 -5.037 1.496 1.410 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.876 0.845 2.142 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.389 -0.461 1.621 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.206 -0.877 0.319 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.083 -1.448 2.236 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.766 -2.062 0.155 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.305 -2.431 1.303 1.00 0.00 N ATOM 0 H HIS A 91 -6.220 2.714 3.470 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.725 -0.194 3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.664 1.333 2.715 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.644 1.497 1.300 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -7.715 -0.352 -0.404 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.402 -1.460 3.268 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.781 -2.632 -0.762 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.726 -0.572 2.241 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.519 -0.823 1.460 1.00 0.00 C ATOM 1291 C LEU A 92 -3.513 -2.246 0.911 1.00 0.00 C ATOM 1292 O LEU A 92 -3.822 -3.200 1.625 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.275 -0.589 2.318 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.261 0.697 3.144 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.035 0.741 4.043 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.300 1.916 2.233 1.00 0.00 C ATOM 0 H LEU A 92 -5.003 -1.343 2.848 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.508 -0.129 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.162 -1.434 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.403 -0.587 1.664 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.150 0.710 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.042 1.664 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.049 -0.113 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.134 0.704 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.289 2.823 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.430 1.908 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.209 1.892 1.631 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.157 -2.381 -0.363 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.106 -3.688 -1.008 1.00 0.00 C ATOM 1310 C VAL A 93 -1.701 -4.275 -0.951 1.00 0.00 C ATOM 1311 O VAL A 93 -0.791 -3.800 -1.633 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.558 -3.606 -2.478 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.835 -4.996 -3.030 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.786 -2.718 -2.609 1.00 0.00 C ATOM 0 H VAL A 93 -2.900 -1.602 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.789 -4.338 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.752 -3.162 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.153 -4.918 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.928 -5.598 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.623 -5.470 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.092 -2.671 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.599 -3.131 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.549 -1.715 -2.255 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.529 -5.309 -0.136 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.234 -5.962 0.008 1.00 0.00 C ATOM 1326 C ILE A 94 -0.288 -7.404 -0.484 1.00 0.00 C ATOM 1327 O ILE A 94 -1.296 -8.091 -0.317 1.00 0.00 O ATOM 1328 CB ILE A 94 0.244 -5.948 1.472 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.374 -4.510 1.976 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.569 -6.684 1.604 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.385 -3.689 1.205 1.00 0.00 C ATOM 0 H ILE A 94 -2.271 -5.713 0.436 1.00 0.00 H new ATOM 0 HA ILE A 94 0.473 -5.399 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.497 -6.461 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.599 -4.023 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.658 -4.526 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.894 -6.665 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.445 -7.718 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.319 -6.197 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.425 -2.681 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.368 -4.153 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.091 -3.642 0.156 1.00 0.00 H new ATOM 1343 N ARG A 95 0.805 -7.858 -1.089 1.00 0.00 N ATOM 1344 CA ARG A 95 0.883 -9.220 -1.605 1.00 0.00 C ATOM 1345 C ARG A 95 2.183 -9.891 -1.173 1.00 0.00 C ATOM 1346 O ARG A 95 3.230 -9.692 -1.788 1.00 0.00 O ATOM 1347 CB ARG A 95 0.781 -9.216 -3.132 1.00 0.00 C ATOM 1348 CG ARG A 95 1.194 -10.530 -3.773 1.00 0.00 C ATOM 1349 CD ARG A 95 1.357 -10.389 -5.278 1.00 0.00 C ATOM 1350 NE ARG A 95 2.601 -9.711 -5.633 1.00 0.00 N ATOM 1351 CZ ARG A 95 3.791 -10.302 -5.616 1.00 0.00 C ATOM 1352 NH1 ARG A 95 3.897 -11.575 -5.264 1.00 0.00 N ATOM 1353 NH2 ARG A 95 4.877 -9.618 -5.953 1.00 0.00 N ATOM 0 H ARG A 95 1.648 -7.303 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 95 0.048 -9.787 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.246 -8.989 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.407 -8.416 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.132 -10.871 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.446 -11.292 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.338 -11.377 -5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.512 -9.832 -5.683 1.00 0.00 H new ATOM 0 HE ARG A 95 2.554 -8.730 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.064 -12.104 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.812 -12.026 -5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.799 -8.638 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.790 -10.072 -5.940 1.00 0.00 H new ATOM 1367 N ARG A 96 2.107 -10.687 -0.111 1.00 0.00 N ATOM 1368 CA ARG A 96 3.278 -11.386 0.405 1.00 0.00 C ATOM 1369 C ARG A 96 3.950 -12.204 -0.694 1.00 0.00 C ATOM 1370 O ARG A 96 3.325 -13.034 -1.355 1.00 0.00 O ATOM 1371 CB ARG A 96 2.882 -12.300 1.566 1.00 0.00 C ATOM 1372 CG ARG A 96 4.020 -12.587 2.531 1.00 0.00 C ATOM 1373 CD ARG A 96 3.855 -13.943 3.200 1.00 0.00 C ATOM 1374 NE ARG A 96 4.628 -14.041 4.435 1.00 0.00 N ATOM 1375 CZ ARG A 96 4.652 -15.124 5.203 1.00 0.00 C ATOM 1376 NH1 ARG A 96 3.950 -16.197 4.864 1.00 0.00 N ATOM 1377 NH2 ARG A 96 5.380 -15.137 6.312 1.00 0.00 N ATOM 0 H ARG A 96 1.247 -10.864 0.409 1.00 0.00 H new ATOM 0 HA ARG A 96 3.987 -10.640 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.059 -11.841 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.511 -13.243 1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.969 -12.557 1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.059 -11.807 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.801 -14.114 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.170 -14.728 2.512 1.00 0.00 H new ATOM 0 HE ARG A 96 5.180 -13.233 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.390 -16.192 4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.970 -17.028 5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.922 -14.314 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.397 -15.970 6.901 1.00 0.00 H new ATOM 1391 N PRO A 97 5.255 -11.965 -0.896 1.00 0.00 N ATOM 1392 CA PRO A 97 6.040 -12.669 -1.914 1.00 0.00 C ATOM 1393 C PRO A 97 6.263 -14.136 -1.562 1.00 0.00 C ATOM 1394 O PRO A 97 5.906 -14.585 -0.472 1.00 0.00 O ATOM 1395 CB PRO A 97 7.371 -11.913 -1.920 1.00 0.00 C ATOM 1396 CG PRO A 97 7.472 -11.312 -0.561 1.00 0.00 C ATOM 1397 CD PRO A 97 6.063 -10.990 -0.145 1.00 0.00 C ATOM 0 HA PRO A 97 5.536 -12.682 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.206 -12.584 -2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.387 -11.146 -2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.937 -12.006 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.089 -10.414 -0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.927 -11.099 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.793 -9.965 -0.398 1.00 0.00 H new ATOM 1405 N LEU A 98 6.855 -14.879 -2.491 1.00 0.00 N ATOM 1406 CA LEU A 98 7.126 -16.297 -2.279 1.00 0.00 C ATOM 1407 C LEU A 98 8.571 -16.634 -2.631 1.00 0.00 C ATOM 1408 O LEU A 98 9.291 -17.233 -1.834 1.00 0.00 O ATOM 1409 CB LEU A 98 6.172 -17.149 -3.118 1.00 0.00 C ATOM 1410 CG LEU A 98 6.050 -18.618 -2.710 1.00 0.00 C ATOM 1411 CD1 LEU A 98 7.411 -19.183 -2.334 1.00 0.00 C ATOM 1412 CD2 LEU A 98 5.070 -18.771 -1.556 1.00 0.00 C ATOM 0 H LEU A 98 7.156 -14.523 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 98 6.968 -16.518 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.181 -16.697 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.498 -17.107 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 98 5.669 -19.181 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.304 -20.229 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.084 -19.108 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.821 -18.617 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.996 -19.823 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.422 -18.194 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.089 -18.406 -1.861 1.00 0.00 H new ATOM 1424 N SER A 99 8.989 -16.242 -3.831 1.00 0.00 N ATOM 1425 CA SER A 99 10.348 -16.504 -4.290 1.00 0.00 C ATOM 1426 C SER A 99 11.326 -15.495 -3.697 1.00 0.00 C ATOM 1427 O SER A 99 11.098 -14.287 -3.751 1.00 0.00 O ATOM 1428 CB SER A 99 10.411 -16.455 -5.818 1.00 0.00 C ATOM 1429 OG SER A 99 10.064 -15.169 -6.302 1.00 0.00 O ATOM 0 H SER A 99 8.406 -15.742 -4.502 1.00 0.00 H new ATOM 0 HA SER A 99 10.633 -17.501 -3.953 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.416 -16.714 -6.152 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.734 -17.200 -6.237 1.00 0.00 H new ATOM 0 HG SER A 99 10.114 -15.163 -7.281 1.00 0.00 H new ATOM 1435 N GLY A 100 12.417 -16.000 -3.130 1.00 0.00 N ATOM 1436 CA GLY A 100 13.414 -15.130 -2.534 1.00 0.00 C ATOM 1437 C GLY A 100 13.804 -15.568 -1.136 1.00 0.00 C ATOM 1438 O GLY A 100 14.682 -16.411 -0.949 1.00 0.00 O ATOM 0 H GLY A 100 12.628 -16.996 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.301 -15.112 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.028 -14.111 -2.498 1.00 0.00 H new ATOM 1442 N PRO A 101 13.144 -14.987 -0.123 1.00 0.00 N ATOM 1443 CA PRO A 101 13.410 -15.306 1.282 1.00 0.00 C ATOM 1444 C PRO A 101 12.947 -16.710 1.656 1.00 0.00 C ATOM 1445 O PRO A 101 11.769 -17.041 1.524 1.00 0.00 O ATOM 1446 CB PRO A 101 12.600 -14.254 2.045 1.00 0.00 C ATOM 1447 CG PRO A 101 11.505 -13.870 1.111 1.00 0.00 C ATOM 1448 CD PRO A 101 12.085 -13.974 -0.273 1.00 0.00 C ATOM 0 HA PRO A 101 14.476 -15.289 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 101 12.203 -14.658 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 101 13.216 -13.394 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.646 -14.531 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.157 -12.857 1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.335 -14.282 -1.001 1.00 0.00 H new ATOM 0 HD3 PRO A 101 12.487 -13.020 -0.613 1.00 0.00 H new ATOM 1456 N SER A 102 13.881 -17.531 2.125 1.00 0.00 N ATOM 1457 CA SER A 102 13.569 -18.901 2.515 1.00 0.00 C ATOM 1458 C SER A 102 13.852 -19.121 3.998 1.00 0.00 C ATOM 1459 O SER A 102 14.948 -19.532 4.378 1.00 0.00 O ATOM 1460 CB SER A 102 14.381 -19.890 1.677 1.00 0.00 C ATOM 1461 OG SER A 102 14.079 -19.759 0.299 1.00 0.00 O ATOM 0 H SER A 102 14.860 -17.271 2.244 1.00 0.00 H new ATOM 0 HA SER A 102 12.507 -19.071 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 102 15.446 -19.719 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.169 -20.908 2.004 1.00 0.00 H new ATOM 0 HG SER A 102 14.612 -20.401 -0.215 1.00 0.00 H new ATOM 1467 N SER A 103 12.854 -18.845 4.831 1.00 0.00 N ATOM 1468 CA SER A 103 12.995 -19.009 6.274 1.00 0.00 C ATOM 1469 C SER A 103 12.716 -20.451 6.686 1.00 0.00 C ATOM 1470 O SER A 103 13.512 -21.072 7.388 1.00 0.00 O ATOM 1471 CB SER A 103 12.045 -18.062 7.011 1.00 0.00 C ATOM 1472 OG SER A 103 10.698 -18.305 6.645 1.00 0.00 O ATOM 0 H SER A 103 11.939 -18.507 4.532 1.00 0.00 H new ATOM 0 HA SER A 103 14.022 -18.765 6.545 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.162 -18.190 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 103 12.307 -17.029 6.783 1.00 0.00 H new ATOM 0 HG SER A 103 10.111 -17.689 7.130 1.00 0.00 H new ATOM 1478 N GLY A 104 11.577 -20.977 6.245 1.00 0.00 N ATOM 1479 CA GLY A 104 11.212 -22.341 6.578 1.00 0.00 C ATOM 1480 C GLY A 104 10.171 -22.909 5.634 1.00 0.00 C ATOM 1481 O GLY A 104 9.619 -22.189 4.802 1.00 0.00 O ATOM 0 H GLY A 104 10.901 -20.482 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.103 -22.969 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.829 -22.373 7.598 1.00 0.00 H new TER 1485 GLY A 104