USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 922 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 110 TYR OH : rot 180:sc= 0.995 USER MOD Set 1.2: A 115 SER OG : rot 122:sc= 1.07 USER MOD Set 2.1: A 85 ASN : amide:sc= 0.0907 K(o=0.094,f=-3.5!) USER MOD Set 2.2: A 120 SER OG : rot -73:sc= 0.00294 USER MOD Set 3.1: A 17 SER OG : rot 106:sc= 0.799 USER MOD Set 3.2: A 20 THR OG1 : rot 89:sc= 1.27 USER MOD Set 4.1: A 10 CYS SG : rot -74:sc= -0.776! USER MOD Set 4.2: A 39 SER OG : rot -85:sc= 1.27 USER MOD Single : A 1 SER N :NH3+ 175:sc= -0.135 (180deg=-0.146) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00639 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -173:sc= 0 (180deg=-0.0442) USER MOD Single : A 9 ASN : amide:sc= -0.0124 K(o=-0.012,f=-1.3!) USER MOD Single : A 19 HIS : no HD1:sc= -0.714 K(o=-0.71,f=-2.9!) USER MOD Single : A 34 CYS SG : rot -82:sc= 0.705 USER MOD Single : A 40 CYS SG : rot 31:sc= -1.05! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -1.29 USER MOD Single : A 62 HIS : no HD1:sc= -0.0225 K(o=-0.022,f=-0.81) USER MOD Single : A 65 LYS NZ :NH3+ -112:sc= 0.165 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0285 X(o=-0.028,f=-0.028) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= -8.79! (180deg=-9.15!) USER MOD Single : A 72 SER OG : rot -56:sc= -0.774 USER MOD Single : A 74 THR OG1 : rot -129:sc= 0 USER MOD Single : A 80 SER OG : rot -76:sc= 1.31 USER MOD Single : A 83 GLN : amide:sc= 0.00284 K(o=0.0028,f=-2.8!) USER MOD Single : A 84 LYS NZ :NH3+ -115:sc= -1.42 (180deg=-4.54!) USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= 0.0941 (180deg=0.0454) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 98 MET CE :methyl -146:sc= -0.0705 (180deg=-2.17!) USER MOD Single : A 100 HIS : no HD1:sc= -3.74 K(o=-3.7,f=-7.3!) USER MOD Single : A 105 HIS :FLIP no HE2:sc= -0.252 F(o=-1.1,f=-0.25) USER MOD Single : A 108 THR OG1 : rot -24:sc= 0.0749 USER MOD Single : A 109 ASN : amide:sc= -2.66! C(o=-2.7!,f=-9.5!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.400 31.457 -4.742 1.00 0.00 N ATOM 2 CA SER A 1 5.786 31.904 -4.431 1.00 0.00 C ATOM 3 C SER A 1 6.655 30.723 -4.008 1.00 0.00 C ATOM 4 O SER A 1 7.834 30.884 -3.692 1.00 0.00 O ATOM 5 CB SER A 1 5.755 32.951 -3.319 1.00 0.00 C ATOM 6 OG SER A 1 4.419 33.248 -2.953 1.00 0.00 O ATOM 0 H1 SER A 1 3.805 32.286 -4.945 1.00 0.00 H new ATOM 0 H2 SER A 1 4.415 30.830 -5.572 1.00 0.00 H new ATOM 0 H3 SER A 1 4.010 30.942 -3.927 1.00 0.00 H new ATOM 0 HA SER A 1 6.217 32.343 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.303 32.584 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.257 33.859 -3.653 1.00 0.00 H new ATOM 0 HG SER A 1 4.417 33.919 -2.239 1.00 0.00 H new ATOM 14 N GLU A 2 6.061 29.537 -4.008 1.00 0.00 N ATOM 15 CA GLU A 2 6.775 28.325 -3.627 1.00 0.00 C ATOM 16 C GLU A 2 7.102 27.491 -4.862 1.00 0.00 C ATOM 17 O GLU A 2 6.219 27.170 -5.656 1.00 0.00 O ATOM 18 CB GLU A 2 5.938 27.504 -2.639 1.00 0.00 C ATOM 19 CG GLU A 2 6.635 26.250 -2.128 1.00 0.00 C ATOM 20 CD GLU A 2 5.801 25.483 -1.119 1.00 0.00 C ATOM 21 OE1 GLU A 2 4.671 25.925 -0.819 1.00 0.00 O ATOM 22 OE2 GLU A 2 6.280 24.440 -0.627 1.00 0.00 O ATOM 0 H GLU A 2 5.086 29.388 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 2 7.709 28.610 -3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.677 28.134 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.004 27.217 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.866 25.599 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.585 26.528 -1.671 1.00 0.00 H new ATOM 29 N PHE A 3 8.376 27.143 -5.018 1.00 0.00 N ATOM 30 CA PHE A 3 8.814 26.347 -6.157 1.00 0.00 C ATOM 31 C PHE A 3 9.437 25.038 -5.686 1.00 0.00 C ATOM 32 O PHE A 3 10.138 25.002 -4.675 1.00 0.00 O ATOM 33 CB PHE A 3 9.827 27.130 -7.003 1.00 0.00 C ATOM 34 CG PHE A 3 9.265 28.385 -7.617 1.00 0.00 C ATOM 35 CD1 PHE A 3 9.440 29.613 -6.999 1.00 0.00 C ATOM 36 CD2 PHE A 3 8.564 28.332 -8.809 1.00 0.00 C ATOM 37 CE1 PHE A 3 8.926 30.767 -7.562 1.00 0.00 C ATOM 38 CE2 PHE A 3 8.047 29.482 -9.378 1.00 0.00 C ATOM 39 CZ PHE A 3 8.229 30.701 -8.752 1.00 0.00 C ATOM 0 H PHE A 3 9.121 27.400 -4.370 1.00 0.00 H new ATOM 0 HA PHE A 3 7.941 26.122 -6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.681 27.393 -6.379 1.00 0.00 H new ATOM 0 HB3 PHE A 3 10.200 26.483 -7.797 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.984 29.669 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.419 27.382 -9.301 1.00 0.00 H new ATOM 0 HE1 PHE A 3 9.070 31.718 -7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.502 29.428 -10.309 1.00 0.00 H new ATOM 0 HZ PHE A 3 7.826 31.601 -9.193 1.00 0.00 H new ATOM 49 N GLY A 4 9.180 23.965 -6.428 1.00 0.00 N ATOM 50 CA GLY A 4 9.721 22.666 -6.070 1.00 0.00 C ATOM 51 C GLY A 4 8.779 21.864 -5.191 1.00 0.00 C ATOM 52 O GLY A 4 7.739 22.367 -4.764 1.00 0.00 O ATOM 0 H GLY A 4 8.606 23.972 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.933 22.102 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.669 22.802 -5.550 1.00 0.00 H new ATOM 56 N SER A 5 9.138 20.614 -4.931 1.00 0.00 N ATOM 57 CA SER A 5 8.319 19.742 -4.098 1.00 0.00 C ATOM 58 C SER A 5 9.168 19.068 -3.026 1.00 0.00 C ATOM 59 O SER A 5 10.360 18.832 -3.226 1.00 0.00 O ATOM 60 CB SER A 5 7.626 18.683 -4.960 1.00 0.00 C ATOM 61 OG SER A 5 6.773 19.285 -5.918 1.00 0.00 O ATOM 0 H SER A 5 9.991 20.181 -5.285 1.00 0.00 H new ATOM 0 HA SER A 5 7.561 20.352 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.375 18.075 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.048 18.013 -4.324 1.00 0.00 H new ATOM 0 HG SER A 5 6.343 18.588 -6.457 1.00 0.00 H new ATOM 67 N MET A 6 8.553 18.764 -1.889 1.00 0.00 N ATOM 68 CA MET A 6 9.260 18.117 -0.788 1.00 0.00 C ATOM 69 C MET A 6 8.858 16.649 -0.684 1.00 0.00 C ATOM 70 O MET A 6 7.683 16.311 -0.822 1.00 0.00 O ATOM 71 CB MET A 6 8.966 18.835 0.532 1.00 0.00 C ATOM 72 CG MET A 6 9.521 20.250 0.593 1.00 0.00 C ATOM 73 SD MET A 6 9.356 20.992 2.230 1.00 0.00 S ATOM 74 CE MET A 6 7.591 21.288 2.294 1.00 0.00 C ATOM 0 H MET A 6 7.568 18.954 -1.705 1.00 0.00 H new ATOM 0 HA MET A 6 10.330 18.174 -0.988 1.00 0.00 H new ATOM 0 HB2 MET A 6 7.887 18.870 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 6 9.385 18.254 1.353 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.573 20.236 0.309 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.002 20.871 -0.137 1.00 0.00 H new ATOM 0 HE1 MET A 6 7.350 21.856 3.192 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.285 21.853 1.414 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.063 20.335 2.315 1.00 0.00 H new ATOM 84 N ALA A 7 9.846 15.785 -0.453 1.00 0.00 N ATOM 85 CA ALA A 7 9.606 14.346 -0.331 1.00 0.00 C ATOM 86 C ALA A 7 8.704 14.017 0.857 1.00 0.00 C ATOM 87 O ALA A 7 7.828 13.156 0.762 1.00 0.00 O ATOM 88 CB ALA A 7 10.928 13.600 -0.210 1.00 0.00 C ATOM 0 H ALA A 7 10.823 16.057 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 7 9.090 14.022 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.736 12.531 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.533 13.786 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.463 13.948 0.674 1.00 0.00 H new ATOM 94 N GLY A 8 8.924 14.705 1.974 1.00 0.00 N ATOM 95 CA GLY A 8 8.125 14.469 3.166 1.00 0.00 C ATOM 96 C GLY A 8 8.654 13.319 4.003 1.00 0.00 C ATOM 97 O GLY A 8 9.659 12.696 3.651 1.00 0.00 O ATOM 0 H GLY A 8 9.642 15.423 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.105 15.375 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.096 14.258 2.874 1.00 0.00 H new ATOM 101 N ASN A 9 7.982 13.034 5.114 1.00 0.00 N ATOM 102 CA ASN A 9 8.395 11.948 5.998 1.00 0.00 C ATOM 103 C ASN A 9 7.453 10.756 5.866 1.00 0.00 C ATOM 104 O ASN A 9 6.261 10.865 6.149 1.00 0.00 O ATOM 105 CB ASN A 9 8.430 12.423 7.454 1.00 0.00 C ATOM 106 CG ASN A 9 9.566 13.389 7.730 1.00 0.00 C ATOM 107 OD1 ASN A 9 10.556 13.430 7.002 1.00 0.00 O ATOM 108 ND2 ASN A 9 9.432 14.174 8.791 1.00 0.00 N ATOM 0 H ASN A 9 7.151 13.538 5.424 1.00 0.00 H new ATOM 0 HA ASN A 9 9.397 11.637 5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.483 12.904 7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.526 11.559 8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.166 14.842 9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.595 14.110 9.370 1.00 0.00 H new ATOM 115 N CYS A 10 7.999 9.622 5.428 1.00 0.00 N ATOM 116 CA CYS A 10 7.214 8.399 5.258 1.00 0.00 C ATOM 117 C CYS A 10 6.687 7.880 6.596 1.00 0.00 C ATOM 118 O CYS A 10 5.550 7.413 6.689 1.00 0.00 O ATOM 119 CB CYS A 10 8.059 7.321 4.576 1.00 0.00 C ATOM 120 SG CYS A 10 8.431 7.662 2.841 1.00 0.00 S ATOM 0 H CYS A 10 8.985 9.525 5.184 1.00 0.00 H new ATOM 0 HA CYS A 10 6.357 8.639 4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.996 7.209 5.122 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.535 6.367 4.643 1.00 0.00 H new ATOM 0 HG CYS A 10 7.368 7.458 2.121 1.00 0.00 H new ATOM 126 N GLY A 11 7.522 7.952 7.627 1.00 0.00 N ATOM 127 CA GLY A 11 7.124 7.481 8.942 1.00 0.00 C ATOM 128 C GLY A 11 8.020 6.367 9.448 1.00 0.00 C ATOM 129 O GLY A 11 9.009 6.021 8.802 1.00 0.00 O ATOM 0 H GLY A 11 8.469 8.329 7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.148 8.312 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.094 7.127 8.903 1.00 0.00 H new ATOM 133 N ALA A 12 7.678 5.802 10.602 1.00 0.00 N ATOM 134 CA ALA A 12 8.466 4.721 11.183 1.00 0.00 C ATOM 135 C ALA A 12 7.743 3.384 11.044 1.00 0.00 C ATOM 136 O ALA A 12 6.629 3.218 11.543 1.00 0.00 O ATOM 137 CB ALA A 12 8.769 5.012 12.645 1.00 0.00 C ATOM 0 H ALA A 12 6.863 6.074 11.152 1.00 0.00 H new ATOM 0 HA ALA A 12 9.408 4.656 10.638 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.358 4.196 13.064 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.332 5.942 12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.835 5.107 13.198 1.00 0.00 H new ATOM 143 N ARG A 13 8.387 2.437 10.372 1.00 0.00 N ATOM 144 CA ARG A 13 7.813 1.112 10.157 1.00 0.00 C ATOM 145 C ARG A 13 8.860 0.023 10.361 1.00 0.00 C ATOM 146 O ARG A 13 10.056 0.305 10.439 1.00 0.00 O ATOM 147 CB ARG A 13 7.211 1.003 8.750 1.00 0.00 C ATOM 148 CG ARG A 13 5.933 1.803 8.575 1.00 0.00 C ATOM 149 CD ARG A 13 5.483 1.838 7.122 1.00 0.00 C ATOM 150 NE ARG A 13 4.206 2.532 6.970 1.00 0.00 N ATOM 151 CZ ARG A 13 4.083 3.857 6.927 1.00 0.00 C ATOM 152 NH1 ARG A 13 2.883 4.407 6.788 1.00 0.00 N ATOM 153 NH2 ARG A 13 5.157 4.630 7.020 1.00 0.00 N ATOM 0 H ARG A 13 9.313 2.563 9.964 1.00 0.00 H new ATOM 0 HA ARG A 13 7.019 0.971 10.891 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.946 1.344 8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.007 -0.045 8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.145 1.368 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.090 2.821 8.932 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.242 2.335 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.391 0.820 6.744 1.00 0.00 H new ATOM 0 HE ARG A 13 3.359 1.968 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.056 3.815 6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.788 5.422 6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.080 4.210 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.059 5.645 6.987 1.00 0.00 H new ATOM 167 N GLY A 14 8.401 -1.222 10.451 1.00 0.00 N ATOM 168 CA GLY A 14 9.303 -2.343 10.648 1.00 0.00 C ATOM 169 C GLY A 14 9.290 -2.865 12.070 1.00 0.00 C ATOM 170 O GLY A 14 9.730 -3.984 12.328 1.00 0.00 O ATOM 0 H GLY A 14 7.415 -1.475 10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.028 -3.149 9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.316 -2.038 10.387 1.00 0.00 H new ATOM 174 N ALA A 15 8.774 -2.061 12.992 1.00 0.00 N ATOM 175 CA ALA A 15 8.696 -2.464 14.391 1.00 0.00 C ATOM 176 C ALA A 15 7.267 -2.850 14.757 1.00 0.00 C ATOM 177 O ALA A 15 6.967 -4.021 14.984 1.00 0.00 O ATOM 178 CB ALA A 15 9.199 -1.346 15.294 1.00 0.00 C ATOM 0 H ALA A 15 8.405 -1.130 12.798 1.00 0.00 H new ATOM 0 HA ALA A 15 9.333 -3.336 14.537 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.134 -1.662 16.335 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.236 -1.118 15.048 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.587 -0.456 15.147 1.00 0.00 H new ATOM 184 N LEU A 16 6.389 -1.855 14.810 1.00 0.00 N ATOM 185 CA LEU A 16 4.988 -2.087 15.136 1.00 0.00 C ATOM 186 C LEU A 16 4.116 -1.869 13.904 1.00 0.00 C ATOM 187 O LEU A 16 4.341 -0.934 13.135 1.00 0.00 O ATOM 188 CB LEU A 16 4.538 -1.157 16.267 1.00 0.00 C ATOM 189 CG LEU A 16 5.317 -1.295 17.578 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.833 -0.273 18.596 1.00 0.00 C ATOM 191 CD2 LEU A 16 5.183 -2.706 18.136 1.00 0.00 C ATOM 0 H LEU A 16 6.624 -0.879 14.631 1.00 0.00 H new ATOM 0 HA LEU A 16 4.879 -3.119 15.469 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.620 -0.126 15.922 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.483 -1.342 16.469 1.00 0.00 H new ATOM 0 HG LEU A 16 6.370 -1.106 17.372 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.398 -0.386 19.521 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.981 0.732 18.201 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.773 -0.432 18.796 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.744 -2.784 19.068 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.132 -2.924 18.326 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.577 -3.422 17.415 1.00 0.00 H new ATOM 203 N SER A 17 3.125 -2.731 13.712 1.00 0.00 N ATOM 204 CA SER A 17 2.230 -2.609 12.572 1.00 0.00 C ATOM 205 C SER A 17 0.881 -2.028 12.999 1.00 0.00 C ATOM 206 O SER A 17 0.091 -2.687 13.678 1.00 0.00 O ATOM 207 CB SER A 17 2.040 -3.983 11.928 1.00 0.00 C ATOM 208 OG SER A 17 1.924 -4.998 12.913 1.00 0.00 O ATOM 0 H SER A 17 2.923 -3.518 14.329 1.00 0.00 H new ATOM 0 HA SER A 17 2.672 -1.927 11.846 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.147 -3.975 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.884 -4.201 11.274 1.00 0.00 H new ATOM 0 HG SER A 17 0.992 -5.295 12.969 1.00 0.00 H new ATOM 214 N ALA A 18 0.620 -0.792 12.583 1.00 0.00 N ATOM 215 CA ALA A 18 -0.631 -0.110 12.913 1.00 0.00 C ATOM 216 C ALA A 18 -1.699 -0.378 11.858 1.00 0.00 C ATOM 217 O ALA A 18 -2.859 -0.005 12.020 1.00 0.00 O ATOM 218 CB ALA A 18 -0.396 1.387 13.059 1.00 0.00 C ATOM 0 H ALA A 18 1.261 -0.239 12.014 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.989 -0.505 13.864 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.336 1.881 13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.327 1.566 13.855 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.010 1.788 12.122 1.00 0.00 H new ATOM 224 N HIS A 19 -1.290 -1.031 10.779 1.00 0.00 N ATOM 225 CA HIS A 19 -2.190 -1.345 9.677 1.00 0.00 C ATOM 226 C HIS A 19 -2.569 -2.822 9.678 1.00 0.00 C ATOM 227 O HIS A 19 -2.953 -3.362 8.655 1.00 0.00 O ATOM 228 CB HIS A 19 -1.541 -0.984 8.332 1.00 0.00 C ATOM 229 CG HIS A 19 -1.269 0.481 8.160 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.144 1.113 8.640 1.00 0.00 N ATOM 231 CD2 HIS A 19 -2.001 1.438 7.538 1.00 0.00 C ATOM 232 CE1 HIS A 19 -0.227 2.408 8.306 1.00 0.00 C ATOM 233 NE2 HIS A 19 -1.334 2.657 7.634 1.00 0.00 N ATOM 0 H HIS A 19 -0.333 -1.356 10.643 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.095 -0.753 9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.603 -1.531 8.234 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.192 -1.320 7.524 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.950 1.280 7.047 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.516 3.151 8.555 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.639 3.556 7.262 1.00 0.00 H new ATOM 240 N THR A 20 -2.432 -3.480 10.825 1.00 0.00 N ATOM 241 CA THR A 20 -2.746 -4.905 10.928 1.00 0.00 C ATOM 242 C THR A 20 -4.255 -5.172 10.841 1.00 0.00 C ATOM 243 O THR A 20 -5.027 -4.691 11.672 1.00 0.00 O ATOM 244 CB THR A 20 -2.219 -5.481 12.259 1.00 0.00 C ATOM 245 OG1 THR A 20 -0.834 -5.154 12.419 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.383 -6.994 12.306 1.00 0.00 C ATOM 0 H THR A 20 -2.108 -3.054 11.693 1.00 0.00 H new ATOM 0 HA THR A 20 -2.257 -5.394 10.086 1.00 0.00 H new ATOM 0 HB THR A 20 -2.801 -5.040 13.068 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.752 -4.291 12.877 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.003 -7.372 13.255 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.438 -7.249 12.210 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.825 -7.446 11.486 1.00 0.00 H new ATOM 254 N LEU A 21 -4.659 -5.955 9.835 1.00 0.00 N ATOM 255 CA LEU A 21 -6.063 -6.320 9.634 1.00 0.00 C ATOM 256 C LEU A 21 -6.177 -7.493 8.657 1.00 0.00 C ATOM 257 O LEU A 21 -5.217 -7.819 7.960 1.00 0.00 O ATOM 258 CB LEU A 21 -6.877 -5.127 9.131 1.00 0.00 C ATOM 259 CG LEU A 21 -8.094 -4.765 9.989 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.077 -3.286 10.345 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.386 -5.125 9.268 1.00 0.00 C ATOM 0 H LEU A 21 -4.025 -6.351 9.141 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.472 -6.625 10.597 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.222 -4.258 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.216 -5.340 8.117 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.044 -5.342 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.949 -3.048 10.954 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.170 -3.057 10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.100 -2.692 9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.238 -4.860 9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.443 -4.577 8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.404 -6.196 9.066 1.00 0.00 H new ATOM 273 N LEU A 22 -7.351 -8.130 8.630 1.00 0.00 N ATOM 274 CA LEU A 22 -7.594 -9.290 7.761 1.00 0.00 C ATOM 275 C LEU A 22 -7.503 -8.965 6.262 1.00 0.00 C ATOM 276 O LEU A 22 -6.804 -9.655 5.520 1.00 0.00 O ATOM 277 CB LEU A 22 -8.971 -9.887 8.075 1.00 0.00 C ATOM 278 CG LEU A 22 -9.374 -11.101 7.230 1.00 0.00 C ATOM 279 CD1 LEU A 22 -8.419 -12.261 7.468 1.00 0.00 C ATOM 280 CD2 LEU A 22 -10.805 -11.514 7.543 1.00 0.00 C ATOM 0 H LEU A 22 -8.152 -7.862 9.202 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.802 -10.009 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.991 -10.175 9.126 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.723 -9.109 7.943 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.317 -10.822 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.722 -13.113 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.407 -11.961 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.442 -12.541 8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.076 -12.377 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.886 -11.774 8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.479 -10.687 7.320 1.00 0.00 H new ATOM 292 N PHE A 23 -8.200 -7.920 5.811 1.00 0.00 N ATOM 293 CA PHE A 23 -8.183 -7.558 4.390 1.00 0.00 C ATOM 294 C PHE A 23 -7.085 -6.546 4.082 1.00 0.00 C ATOM 295 O PHE A 23 -6.474 -6.575 3.014 1.00 0.00 O ATOM 296 CB PHE A 23 -9.544 -7.005 3.957 1.00 0.00 C ATOM 297 CG PHE A 23 -10.644 -8.027 3.989 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.543 -8.069 5.041 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.773 -8.955 2.965 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.552 -9.014 5.073 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.779 -9.900 2.992 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.669 -9.931 4.047 1.00 0.00 C ATOM 0 H PHE A 23 -8.776 -7.317 6.398 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.973 -8.466 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.813 -6.173 4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.460 -6.605 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.455 -7.355 5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.079 -8.938 2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.247 -9.035 5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.870 -10.615 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.455 -10.671 4.070 1.00 0.00 H new ATOM 312 N ASP A 24 -6.848 -5.654 5.026 1.00 0.00 N ATOM 313 CA ASP A 24 -5.812 -4.640 4.890 1.00 0.00 C ATOM 314 C ASP A 24 -4.611 -5.029 5.730 1.00 0.00 C ATOM 315 O ASP A 24 -4.382 -4.456 6.784 1.00 0.00 O ATOM 316 CB ASP A 24 -6.293 -3.219 5.238 1.00 0.00 C ATOM 317 CG ASP A 24 -7.231 -3.144 6.428 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.271 -3.839 6.418 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.936 -2.371 7.363 1.00 0.00 O ATOM 0 H ASP A 24 -7.364 -5.609 5.905 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.533 -4.604 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.423 -2.594 5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.796 -2.797 4.368 1.00 0.00 H new ATOM 324 N LEU A 25 -3.912 -6.071 5.273 1.00 0.00 N ATOM 325 CA LEU A 25 -2.719 -6.615 5.938 1.00 0.00 C ATOM 326 C LEU A 25 -1.765 -5.514 6.424 1.00 0.00 C ATOM 327 O LEU A 25 -1.792 -4.392 5.910 1.00 0.00 O ATOM 328 CB LEU A 25 -1.964 -7.526 4.962 1.00 0.00 C ATOM 329 CG LEU A 25 -2.730 -8.763 4.486 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.959 -9.473 3.387 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.000 -9.709 5.648 1.00 0.00 C ATOM 0 H LEU A 25 -4.160 -6.570 4.419 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.060 -7.172 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.681 -6.938 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.040 -7.854 5.439 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.689 -8.439 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.517 -10.350 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.820 -8.796 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.986 -9.783 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.545 -10.581 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.054 -10.028 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.595 -9.196 6.404 1.00 0.00 H new ATOM 343 N PRO A 26 -0.910 -5.846 7.428 1.00 0.00 N ATOM 344 CA PRO A 26 0.085 -4.927 8.023 1.00 0.00 C ATOM 345 C PRO A 26 0.831 -4.068 6.992 1.00 0.00 C ATOM 346 O PRO A 26 0.786 -4.345 5.791 1.00 0.00 O ATOM 347 CB PRO A 26 1.069 -5.879 8.738 1.00 0.00 C ATOM 348 CG PRO A 26 0.595 -7.269 8.451 1.00 0.00 C ATOM 349 CD PRO A 26 -0.855 -7.154 8.090 1.00 0.00 C ATOM 0 HA PRO A 26 -0.397 -4.201 8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.086 -5.732 8.373 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.084 -5.688 9.811 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.165 -7.713 7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.729 -7.913 9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.174 -7.959 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.497 -7.192 8.970 1.00 0.00 H new ATOM 357 N PRO A 27 1.559 -3.022 7.465 1.00 0.00 N ATOM 358 CA PRO A 27 2.306 -2.087 6.605 1.00 0.00 C ATOM 359 C PRO A 27 3.195 -2.746 5.550 1.00 0.00 C ATOM 360 O PRO A 27 3.722 -2.062 4.689 1.00 0.00 O ATOM 361 CB PRO A 27 3.167 -1.302 7.585 1.00 0.00 C ATOM 362 CG PRO A 27 2.393 -1.317 8.846 1.00 0.00 C ATOM 363 CD PRO A 27 1.694 -2.651 8.887 1.00 0.00 C ATOM 0 HA PRO A 27 1.609 -1.488 6.020 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.146 -1.765 7.714 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.339 -0.284 7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.049 -1.193 9.708 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.674 -0.498 8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.274 -3.390 9.440 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.722 -2.579 9.375 1.00 0.00 H new ATOM 371 N ALA A 28 3.367 -4.057 5.617 1.00 0.00 N ATOM 372 CA ALA A 28 4.187 -4.768 4.649 1.00 0.00 C ATOM 373 C ALA A 28 3.691 -4.516 3.221 1.00 0.00 C ATOM 374 O ALA A 28 4.493 -4.441 2.291 1.00 0.00 O ATOM 375 CB ALA A 28 4.187 -6.259 4.954 1.00 0.00 C ATOM 0 H ALA A 28 2.949 -4.651 6.333 1.00 0.00 H new ATOM 0 HA ALA A 28 5.208 -4.393 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.804 -6.780 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.590 -6.426 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.167 -6.640 4.905 1.00 0.00 H new ATOM 381 N LEU A 29 2.371 -4.392 3.041 1.00 0.00 N ATOM 382 CA LEU A 29 1.828 -4.140 1.709 1.00 0.00 C ATOM 383 C LEU A 29 1.315 -2.701 1.541 1.00 0.00 C ATOM 384 O LEU A 29 1.996 -1.866 0.956 1.00 0.00 O ATOM 385 CB LEU A 29 0.718 -5.148 1.372 1.00 0.00 C ATOM 386 CG LEU A 29 0.456 -5.340 -0.122 1.00 0.00 C ATOM 387 CD1 LEU A 29 1.761 -5.463 -0.883 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.403 -6.572 -0.360 1.00 0.00 C ATOM 0 H LEU A 29 1.676 -4.461 3.784 1.00 0.00 H new ATOM 0 HA LEU A 29 2.651 -4.270 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.979 -6.113 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.206 -4.822 1.849 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.079 -4.463 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.552 -5.599 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.351 -4.557 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.320 -6.321 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.579 -6.692 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.110 -7.453 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.357 -6.455 0.154 1.00 0.00 H new ATOM 400 N LEU A 30 0.131 -2.406 2.079 1.00 0.00 N ATOM 401 CA LEU A 30 -0.473 -1.072 1.953 1.00 0.00 C ATOM 402 C LEU A 30 0.341 0.027 2.643 1.00 0.00 C ATOM 403 O LEU A 30 0.632 1.049 2.029 1.00 0.00 O ATOM 404 CB LEU A 30 -1.901 -1.078 2.526 1.00 0.00 C ATOM 405 CG LEU A 30 -3.001 -0.578 1.582 1.00 0.00 C ATOM 406 CD1 LEU A 30 -4.338 -0.536 2.303 1.00 0.00 C ATOM 407 CD2 LEU A 30 -2.660 0.799 1.026 1.00 0.00 C ATOM 0 H LEU A 30 -0.432 -3.072 2.608 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.490 -0.844 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.145 -2.095 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.914 -0.463 3.426 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.072 -1.275 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.109 -0.179 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.596 -1.537 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.270 0.138 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.457 1.130 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.556 1.508 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.723 0.746 0.472 1.00 0.00 H new ATOM 419 N GLY A 31 0.721 -0.189 3.901 1.00 0.00 N ATOM 420 CA GLY A 31 1.445 0.840 4.646 1.00 0.00 C ATOM 421 C GLY A 31 2.769 1.275 4.026 1.00 0.00 C ATOM 422 O GLY A 31 2.990 2.466 3.811 1.00 0.00 O ATOM 0 H GLY A 31 0.544 -1.050 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.803 1.715 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.637 0.470 5.653 1.00 0.00 H new ATOM 426 N GLU A 32 3.637 0.320 3.721 1.00 0.00 N ATOM 427 CA GLU A 32 4.942 0.627 3.143 1.00 0.00 C ATOM 428 C GLU A 32 4.851 1.107 1.701 1.00 0.00 C ATOM 429 O GLU A 32 5.513 2.074 1.331 1.00 0.00 O ATOM 430 CB GLU A 32 5.860 -0.596 3.244 1.00 0.00 C ATOM 431 CG GLU A 32 7.313 -0.315 2.875 1.00 0.00 C ATOM 432 CD GLU A 32 7.605 -0.532 1.404 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.890 -1.335 0.768 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.551 0.095 0.887 1.00 0.00 O ATOM 0 H GLU A 32 3.463 -0.675 3.864 1.00 0.00 H new ATOM 0 HA GLU A 32 5.363 1.450 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.823 -0.982 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.476 -1.380 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.556 0.714 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.963 -0.959 3.467 1.00 0.00 H new ATOM 441 N LEU A 33 4.033 0.446 0.889 1.00 0.00 N ATOM 442 CA LEU A 33 3.922 0.826 -0.514 1.00 0.00 C ATOM 443 C LEU A 33 3.293 2.206 -0.703 1.00 0.00 C ATOM 444 O LEU A 33 3.735 2.959 -1.564 1.00 0.00 O ATOM 445 CB LEU A 33 3.173 -0.232 -1.337 1.00 0.00 C ATOM 446 CG LEU A 33 3.891 -1.578 -1.471 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.032 -2.554 -2.255 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.248 -1.406 -2.136 1.00 0.00 C ATOM 0 H LEU A 33 3.448 -0.340 1.171 1.00 0.00 H new ATOM 0 HA LEU A 33 4.944 0.884 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.198 -0.402 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.993 0.167 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 33 4.055 -1.981 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.553 -3.507 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.086 -2.705 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.840 -2.152 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.738 -2.376 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.114 -0.980 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.866 -0.738 -1.535 1.00 0.00 H new ATOM 460 N CYS A 34 2.273 2.551 0.084 1.00 0.00 N ATOM 461 CA CYS A 34 1.633 3.862 -0.070 1.00 0.00 C ATOM 462 C CYS A 34 2.499 4.997 0.486 1.00 0.00 C ATOM 463 O CYS A 34 2.472 6.110 -0.037 1.00 0.00 O ATOM 464 CB CYS A 34 0.250 3.901 0.591 1.00 0.00 C ATOM 465 SG CYS A 34 0.276 3.875 2.399 1.00 0.00 S ATOM 0 H CYS A 34 1.879 1.960 0.816 1.00 0.00 H new ATOM 0 HA CYS A 34 1.514 4.014 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.270 4.801 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.331 3.049 0.237 1.00 0.00 H new ATOM 0 HG CYS A 34 0.415 2.651 2.813 1.00 0.00 H new ATOM 471 N ALA A 35 3.261 4.722 1.543 1.00 0.00 N ATOM 472 CA ALA A 35 4.099 5.750 2.163 1.00 0.00 C ATOM 473 C ALA A 35 5.470 5.904 1.502 1.00 0.00 C ATOM 474 O ALA A 35 5.850 7.005 1.102 1.00 0.00 O ATOM 475 CB ALA A 35 4.271 5.460 3.646 1.00 0.00 C ATOM 0 H ALA A 35 3.317 3.805 1.986 1.00 0.00 H new ATOM 0 HA ALA A 35 3.577 6.696 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.896 6.231 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.295 5.454 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.746 4.487 3.774 1.00 0.00 H new ATOM 481 N VAL A 36 6.211 4.805 1.398 1.00 0.00 N ATOM 482 CA VAL A 36 7.559 4.829 0.825 1.00 0.00 C ATOM 483 C VAL A 36 7.573 5.225 -0.655 1.00 0.00 C ATOM 484 O VAL A 36 8.389 6.049 -1.073 1.00 0.00 O ATOM 485 CB VAL A 36 8.273 3.469 1.020 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.578 3.411 0.235 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.534 3.223 2.498 1.00 0.00 C ATOM 0 H VAL A 36 5.902 3.882 1.703 1.00 0.00 H new ATOM 0 HA VAL A 36 8.104 5.600 1.369 1.00 0.00 H new ATOM 0 HB VAL A 36 7.619 2.685 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.055 2.444 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.370 3.544 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.244 4.204 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.036 2.264 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.166 4.018 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.587 3.210 3.037 1.00 0.00 H new ATOM 497 N LEU A 37 6.666 4.657 -1.444 1.00 0.00 N ATOM 498 CA LEU A 37 6.620 4.957 -2.875 1.00 0.00 C ATOM 499 C LEU A 37 6.007 6.338 -3.137 1.00 0.00 C ATOM 500 O LEU A 37 6.136 6.880 -4.229 1.00 0.00 O ATOM 501 CB LEU A 37 5.840 3.884 -3.643 1.00 0.00 C ATOM 502 CG LEU A 37 6.352 2.449 -3.497 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.526 1.511 -4.358 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.826 2.354 -3.859 1.00 0.00 C ATOM 0 H LEU A 37 5.960 3.994 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 37 7.649 4.962 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.801 3.913 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.847 4.145 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 37 6.247 2.151 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.898 0.493 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.483 1.552 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.603 1.814 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.163 1.323 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.968 2.671 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.405 2.999 -3.199 1.00 0.00 H new ATOM 516 N ASP A 38 5.306 6.889 -2.146 1.00 0.00 N ATOM 517 CA ASP A 38 4.679 8.208 -2.279 1.00 0.00 C ATOM 518 C ASP A 38 5.726 9.286 -2.546 1.00 0.00 C ATOM 519 O ASP A 38 5.493 10.221 -3.309 1.00 0.00 O ATOM 520 CB ASP A 38 3.892 8.560 -1.017 1.00 0.00 C ATOM 521 CG ASP A 38 3.009 9.777 -1.198 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.569 10.024 -2.340 1.00 0.00 O ATOM 523 OD2 ASP A 38 2.752 10.478 -0.198 1.00 0.00 O ATOM 0 H ASP A 38 5.157 6.443 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 38 3.995 8.166 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.275 7.709 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.588 8.740 -0.198 1.00 0.00 H new ATOM 528 N SER A 39 6.882 9.143 -1.910 1.00 0.00 N ATOM 529 CA SER A 39 7.971 10.101 -2.064 1.00 0.00 C ATOM 530 C SER A 39 8.832 9.766 -3.284 1.00 0.00 C ATOM 531 O SER A 39 9.904 10.341 -3.474 1.00 0.00 O ATOM 532 CB SER A 39 8.837 10.114 -0.802 1.00 0.00 C ATOM 533 OG SER A 39 8.068 10.447 0.341 1.00 0.00 O ATOM 0 H SER A 39 7.091 8.369 -1.279 1.00 0.00 H new ATOM 0 HA SER A 39 7.536 11.089 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.297 9.136 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.648 10.833 -0.921 1.00 0.00 H new ATOM 0 HG SER A 39 8.010 11.422 0.424 1.00 0.00 H new ATOM 539 N CYS A 40 8.357 8.822 -4.095 1.00 0.00 N ATOM 540 CA CYS A 40 9.074 8.394 -5.293 1.00 0.00 C ATOM 541 C CYS A 40 9.154 9.505 -6.335 1.00 0.00 C ATOM 542 O CYS A 40 8.228 10.297 -6.495 1.00 0.00 O ATOM 543 CB CYS A 40 8.409 7.168 -5.905 1.00 0.00 C ATOM 544 SG CYS A 40 9.261 6.515 -7.351 1.00 0.00 S ATOM 0 H CYS A 40 7.473 8.337 -3.942 1.00 0.00 H new ATOM 0 HA CYS A 40 10.089 8.143 -4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.347 6.386 -5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.387 7.423 -6.183 1.00 0.00 H new ATOM 0 HG CYS A 40 10.536 6.742 -7.242 1.00 0.00 H new ATOM 550 N ASP A 41 10.275 9.543 -7.040 1.00 0.00 N ATOM 551 CA ASP A 41 10.508 10.547 -8.070 1.00 0.00 C ATOM 552 C ASP A 41 11.056 9.881 -9.329 1.00 0.00 C ATOM 553 O ASP A 41 12.032 10.341 -9.919 1.00 0.00 O ATOM 554 CB ASP A 41 11.484 11.615 -7.569 1.00 0.00 C ATOM 555 CG ASP A 41 11.377 12.911 -8.348 1.00 0.00 C ATOM 556 OD1 ASP A 41 10.343 13.117 -9.021 1.00 0.00 O ATOM 557 OD2 ASP A 41 12.324 13.722 -8.285 1.00 0.00 O ATOM 0 H ASP A 41 11.044 8.884 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 41 9.561 11.031 -8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.292 11.812 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.503 11.234 -7.642 1.00 0.00 H new ATOM 562 N GLY A 42 10.422 8.780 -9.720 1.00 0.00 N ATOM 563 CA GLY A 42 10.839 8.050 -10.905 1.00 0.00 C ATOM 564 C GLY A 42 11.811 6.921 -10.607 1.00 0.00 C ATOM 565 O GLY A 42 12.076 6.088 -11.473 1.00 0.00 O ATOM 0 H GLY A 42 9.621 8.377 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.958 7.640 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.303 8.744 -11.606 1.00 0.00 H new ATOM 569 N ALA A 43 12.346 6.891 -9.383 1.00 0.00 N ATOM 570 CA ALA A 43 13.288 5.844 -8.982 1.00 0.00 C ATOM 571 C ALA A 43 12.630 4.463 -8.990 1.00 0.00 C ATOM 572 O ALA A 43 13.222 3.483 -9.438 1.00 0.00 O ATOM 573 CB ALA A 43 13.857 6.147 -7.602 1.00 0.00 C ATOM 0 H ALA A 43 12.144 7.577 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 43 14.100 5.831 -9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.556 5.361 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.378 7.104 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.045 6.193 -6.876 1.00 0.00 H new ATOM 579 N LEU A 44 11.403 4.401 -8.484 1.00 0.00 N ATOM 580 CA LEU A 44 10.645 3.152 -8.444 1.00 0.00 C ATOM 581 C LEU A 44 9.388 3.269 -9.296 1.00 0.00 C ATOM 582 O LEU A 44 8.870 2.278 -9.803 1.00 0.00 O ATOM 583 CB LEU A 44 10.257 2.791 -7.000 1.00 0.00 C ATOM 584 CG LEU A 44 11.295 3.164 -5.931 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.780 4.288 -5.043 1.00 0.00 C ATOM 586 CD2 LEU A 44 11.659 1.949 -5.092 1.00 0.00 C ATOM 0 H LEU A 44 10.909 5.204 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 44 11.280 2.361 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.317 3.287 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.074 1.718 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 44 12.193 3.516 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.533 4.534 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.573 5.168 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.864 3.968 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.395 2.233 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.766 1.567 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.077 1.175 -5.735 1.00 0.00 H new ATOM 598 N GLY A 45 8.914 4.503 -9.450 1.00 0.00 N ATOM 599 CA GLY A 45 7.714 4.760 -10.217 1.00 0.00 C ATOM 600 C GLY A 45 6.454 4.464 -9.425 1.00 0.00 C ATOM 601 O GLY A 45 6.147 3.301 -9.171 1.00 0.00 O ATOM 0 H GLY A 45 9.348 5.336 -9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.705 5.802 -10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.725 4.151 -11.121 1.00 0.00 H new ATOM 605 N TRP A 46 5.728 5.510 -9.018 1.00 0.00 N ATOM 606 CA TRP A 46 4.478 5.317 -8.271 1.00 0.00 C ATOM 607 C TRP A 46 3.514 4.408 -9.035 1.00 0.00 C ATOM 608 O TRP A 46 2.848 3.559 -8.444 1.00 0.00 O ATOM 609 CB TRP A 46 3.798 6.663 -7.960 1.00 0.00 C ATOM 610 CG TRP A 46 3.788 7.629 -9.111 1.00 0.00 C ATOM 611 CD1 TRP A 46 2.855 7.718 -10.102 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.751 8.657 -9.374 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.187 8.726 -10.974 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.345 9.320 -10.548 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.918 9.079 -8.734 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.065 10.379 -11.092 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.632 10.133 -9.275 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.203 10.773 -10.444 1.00 0.00 C ATOM 0 H TRP A 46 5.977 6.484 -9.189 1.00 0.00 H new ATOM 0 HA TRP A 46 4.737 4.836 -7.328 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.770 6.475 -7.649 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.306 7.127 -7.115 1.00 0.00 H new ATOM 0 HD1 TRP A 46 1.982 7.088 -10.188 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.657 8.989 -11.805 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.257 8.591 -7.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.737 10.873 -11.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.536 10.468 -8.787 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.782 11.594 -10.842 1.00 0.00 H new ATOM 629 N ARG A 47 3.446 4.593 -10.351 1.00 0.00 N ATOM 630 CA ARG A 47 2.586 3.776 -11.204 1.00 0.00 C ATOM 631 C ARG A 47 3.245 2.458 -11.582 1.00 0.00 C ATOM 632 O ARG A 47 2.664 1.687 -12.325 1.00 0.00 O ATOM 633 CB ARG A 47 2.174 4.505 -12.491 1.00 0.00 C ATOM 634 CG ARG A 47 3.142 5.580 -12.965 1.00 0.00 C ATOM 635 CD ARG A 47 4.473 4.993 -13.415 1.00 0.00 C ATOM 636 NE ARG A 47 4.629 5.046 -14.866 1.00 0.00 N ATOM 637 CZ ARG A 47 5.477 4.281 -15.547 1.00 0.00 C ATOM 638 NH1 ARG A 47 5.555 4.391 -16.867 1.00 0.00 N ATOM 639 NH2 ARG A 47 6.244 3.406 -14.909 1.00 0.00 N ATOM 0 H ARG A 47 3.978 5.304 -10.852 1.00 0.00 H new ATOM 0 HA ARG A 47 1.694 3.578 -10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.057 3.768 -13.286 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.197 4.962 -12.334 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.693 6.134 -13.790 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.315 6.293 -12.159 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.289 5.539 -12.942 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.545 3.958 -13.080 1.00 0.00 H new ATOM 0 HE ARG A 47 4.054 5.708 -15.387 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.965 5.062 -17.359 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.205 3.805 -17.390 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.184 3.319 -13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.894 2.820 -15.433 1.00 0.00 H new ATOM 653 N GLY A 48 4.457 2.204 -11.099 1.00 0.00 N ATOM 654 CA GLY A 48 5.147 0.975 -11.463 1.00 0.00 C ATOM 655 C GLY A 48 4.370 -0.266 -11.082 1.00 0.00 C ATOM 656 O GLY A 48 4.273 -1.208 -11.870 1.00 0.00 O ATOM 0 H GLY A 48 4.971 2.819 -10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.328 0.970 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.122 0.952 -10.975 1.00 0.00 H new ATOM 660 N LEU A 49 3.807 -0.272 -9.881 1.00 0.00 N ATOM 661 CA LEU A 49 3.022 -1.409 -9.421 1.00 0.00 C ATOM 662 C LEU A 49 1.684 -1.490 -10.165 1.00 0.00 C ATOM 663 O LEU A 49 1.246 -2.573 -10.559 1.00 0.00 O ATOM 664 CB LEU A 49 2.790 -1.302 -7.912 1.00 0.00 C ATOM 665 CG LEU A 49 4.062 -1.327 -7.056 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.713 -1.182 -5.588 1.00 0.00 C ATOM 667 CD2 LEU A 49 4.837 -2.612 -7.288 1.00 0.00 C ATOM 0 H LEU A 49 3.879 0.494 -9.211 1.00 0.00 H new ATOM 0 HA LEU A 49 3.578 -2.323 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.251 -0.377 -7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.144 -2.123 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 49 4.691 -0.487 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.626 -1.202 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.196 -0.236 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.065 -2.005 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.736 -2.611 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.215 -3.466 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.117 -2.683 -8.339 1.00 0.00 H new ATOM 679 N ALA A 50 1.040 -0.334 -10.351 1.00 0.00 N ATOM 680 CA ALA A 50 -0.244 -0.262 -11.056 1.00 0.00 C ATOM 681 C ALA A 50 -0.120 -0.646 -12.529 1.00 0.00 C ATOM 682 O ALA A 50 -0.984 -1.328 -13.079 1.00 0.00 O ATOM 683 CB ALA A 50 -0.831 1.133 -10.942 1.00 0.00 C ATOM 0 H ALA A 50 1.388 0.567 -10.022 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.908 -0.983 -10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.784 1.171 -11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.988 1.377 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.143 1.854 -11.383 1.00 0.00 H new ATOM 689 N GLU A 51 0.960 -0.189 -13.156 1.00 0.00 N ATOM 690 CA GLU A 51 1.217 -0.446 -14.569 1.00 0.00 C ATOM 691 C GLU A 51 1.366 -1.944 -14.835 1.00 0.00 C ATOM 692 O GLU A 51 0.869 -2.455 -15.839 1.00 0.00 O ATOM 693 CB GLU A 51 2.475 0.309 -15.024 1.00 0.00 C ATOM 694 CG GLU A 51 2.790 0.148 -16.506 1.00 0.00 C ATOM 695 CD GLU A 51 4.008 0.942 -16.938 1.00 0.00 C ATOM 696 OE1 GLU A 51 5.097 0.722 -16.366 1.00 0.00 O ATOM 697 OE2 GLU A 51 3.873 1.782 -17.852 1.00 0.00 O ATOM 0 H GLU A 51 1.681 0.369 -12.699 1.00 0.00 H new ATOM 0 HA GLU A 51 0.364 -0.086 -15.143 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.351 1.369 -14.802 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.327 -0.041 -14.441 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.953 -0.907 -16.725 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.928 0.466 -17.093 1.00 0.00 H new ATOM 704 N ARG A 52 2.061 -2.638 -13.932 1.00 0.00 N ATOM 705 CA ARG A 52 2.265 -4.080 -14.063 1.00 0.00 C ATOM 706 C ARG A 52 0.936 -4.828 -13.970 1.00 0.00 C ATOM 707 O ARG A 52 0.703 -5.786 -14.709 1.00 0.00 O ATOM 708 CB ARG A 52 3.226 -4.590 -12.982 1.00 0.00 C ATOM 709 CG ARG A 52 4.581 -5.025 -13.521 1.00 0.00 C ATOM 710 CD ARG A 52 5.407 -3.840 -13.991 1.00 0.00 C ATOM 711 NE ARG A 52 5.490 -3.774 -15.448 1.00 0.00 N ATOM 712 CZ ARG A 52 6.063 -2.772 -16.110 1.00 0.00 C ATOM 713 NH1 ARG A 52 6.097 -2.784 -17.434 1.00 0.00 N ATOM 714 NH2 ARG A 52 6.603 -1.759 -15.442 1.00 0.00 N ATOM 0 H ARG A 52 2.491 -2.225 -13.104 1.00 0.00 H new ATOM 0 HA ARG A 52 2.704 -4.268 -15.043 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.375 -3.804 -12.241 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.764 -5.431 -12.465 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.125 -5.563 -12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.437 -5.719 -14.349 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.967 -2.918 -13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.411 -3.910 -13.573 1.00 0.00 H new ATOM 0 HE ARG A 52 5.086 -4.539 -15.988 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.684 -3.562 -17.948 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.537 -2.015 -17.940 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.578 -1.750 -14.422 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.042 -0.991 -15.949 1.00 0.00 H new ATOM 728 N LEU A 53 0.077 -4.395 -13.050 1.00 0.00 N ATOM 729 CA LEU A 53 -1.232 -5.020 -12.874 1.00 0.00 C ATOM 730 C LEU A 53 -2.142 -4.682 -14.059 1.00 0.00 C ATOM 731 O LEU A 53 -2.852 -5.550 -14.572 1.00 0.00 O ATOM 732 CB LEU A 53 -1.868 -4.568 -11.550 1.00 0.00 C ATOM 733 CG LEU A 53 -2.830 -5.570 -10.893 1.00 0.00 C ATOM 734 CD1 LEU A 53 -4.202 -5.525 -11.550 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.260 -6.982 -10.944 1.00 0.00 C ATOM 0 H LEU A 53 0.263 -3.617 -12.417 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.103 -6.102 -12.837 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.069 -4.343 -10.843 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.408 -3.638 -11.727 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.946 -5.283 -9.848 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.862 -6.244 -11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.621 -4.524 -11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.108 -5.775 -12.607 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.959 -7.674 -10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.105 -7.274 -11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.308 -7.010 -10.413 1.00 0.00 H new ATOM 747 N SER A 54 -2.104 -3.414 -14.485 1.00 0.00 N ATOM 748 CA SER A 54 -2.902 -2.927 -15.617 1.00 0.00 C ATOM 749 C SER A 54 -4.398 -3.171 -15.406 1.00 0.00 C ATOM 750 O SER A 54 -5.032 -3.891 -16.180 1.00 0.00 O ATOM 751 CB SER A 54 -2.437 -3.586 -16.919 1.00 0.00 C ATOM 752 OG SER A 54 -2.710 -2.759 -18.040 1.00 0.00 O ATOM 0 H SER A 54 -1.520 -2.697 -14.055 1.00 0.00 H new ATOM 0 HA SER A 54 -2.750 -1.850 -15.686 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.367 -3.788 -16.865 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.937 -4.547 -17.042 1.00 0.00 H new ATOM 0 HG SER A 54 -2.402 -3.203 -18.857 1.00 0.00 H new ATOM 758 N SER A 55 -4.955 -2.569 -14.357 1.00 0.00 N ATOM 759 CA SER A 55 -6.375 -2.726 -14.050 1.00 0.00 C ATOM 760 C SER A 55 -7.264 -2.115 -15.137 1.00 0.00 C ATOM 761 O SER A 55 -8.295 -2.687 -15.495 1.00 0.00 O ATOM 762 CB SER A 55 -6.690 -2.096 -12.689 1.00 0.00 C ATOM 763 OG SER A 55 -6.381 -0.712 -12.680 1.00 0.00 O ATOM 0 H SER A 55 -4.446 -1.970 -13.707 1.00 0.00 H new ATOM 0 HA SER A 55 -6.591 -3.794 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.745 -2.237 -12.456 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.121 -2.603 -11.910 1.00 0.00 H new ATOM 0 HG SER A 55 -6.593 -0.335 -11.801 1.00 0.00 H new ATOM 769 N SER A 56 -6.865 -0.957 -15.660 1.00 0.00 N ATOM 770 CA SER A 56 -7.626 -0.291 -16.715 1.00 0.00 C ATOM 771 C SER A 56 -6.764 0.732 -17.451 1.00 0.00 C ATOM 772 O SER A 56 -5.734 1.175 -16.939 1.00 0.00 O ATOM 773 CB SER A 56 -8.874 0.385 -16.130 1.00 0.00 C ATOM 774 OG SER A 56 -8.530 1.442 -15.253 1.00 0.00 O ATOM 0 H SER A 56 -6.021 -0.462 -15.371 1.00 0.00 H new ATOM 0 HA SER A 56 -7.941 -1.048 -17.433 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.494 0.770 -16.940 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.472 -0.353 -15.595 1.00 0.00 H new ATOM 0 HG SER A 56 -9.347 1.852 -14.899 1.00 0.00 H new ATOM 780 N TRP A 57 -7.190 1.093 -18.660 1.00 0.00 N ATOM 781 CA TRP A 57 -6.475 2.068 -19.488 1.00 0.00 C ATOM 782 C TRP A 57 -6.486 3.466 -18.860 1.00 0.00 C ATOM 783 O TRP A 57 -5.469 4.159 -18.843 1.00 0.00 O ATOM 784 CB TRP A 57 -7.090 2.115 -20.892 1.00 0.00 C ATOM 785 CG TRP A 57 -6.394 3.064 -21.825 1.00 0.00 C ATOM 786 CD1 TRP A 57 -6.859 4.271 -22.265 1.00 0.00 C ATOM 787 CD2 TRP A 57 -5.111 2.881 -22.436 1.00 0.00 C ATOM 788 NE1 TRP A 57 -5.942 4.850 -23.108 1.00 0.00 N ATOM 789 CE2 TRP A 57 -4.861 4.016 -23.230 1.00 0.00 C ATOM 790 CE3 TRP A 57 -4.147 1.868 -22.387 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -3.689 4.167 -23.968 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -2.984 2.020 -23.120 1.00 0.00 C ATOM 793 CH2 TRP A 57 -2.763 3.161 -23.901 1.00 0.00 C ATOM 0 H TRP A 57 -8.035 0.722 -19.093 1.00 0.00 H new ATOM 0 HA TRP A 57 -5.436 1.746 -19.557 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.067 1.114 -21.323 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.138 2.403 -20.810 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -7.809 4.706 -21.990 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -6.048 5.754 -23.569 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.308 0.984 -21.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.517 5.046 -24.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.233 1.245 -23.089 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.844 3.249 -24.461 1.00 0.00 H new ATOM 804 N LEU A 58 -7.641 3.866 -18.334 1.00 0.00 N ATOM 805 CA LEU A 58 -7.803 5.193 -17.735 1.00 0.00 C ATOM 806 C LEU A 58 -7.310 5.245 -16.291 1.00 0.00 C ATOM 807 O LEU A 58 -7.400 6.284 -15.636 1.00 0.00 O ATOM 808 CB LEU A 58 -9.272 5.625 -17.797 1.00 0.00 C ATOM 809 CG LEU A 58 -9.850 5.770 -19.209 1.00 0.00 C ATOM 810 CD1 LEU A 58 -11.336 6.089 -19.145 1.00 0.00 C ATOM 811 CD2 LEU A 58 -9.107 6.850 -19.983 1.00 0.00 C ATOM 0 H LEU A 58 -8.482 3.290 -18.309 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.189 5.882 -18.315 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.871 4.898 -17.249 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.376 6.579 -17.279 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.722 4.822 -19.732 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.731 6.189 -20.156 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.859 5.284 -18.629 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.485 7.023 -18.604 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.532 6.938 -20.983 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.204 7.803 -19.462 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.053 6.583 -20.059 1.00 0.00 H new ATOM 823 N ASP A 59 -6.788 4.124 -15.797 1.00 0.00 N ATOM 824 CA ASP A 59 -6.277 4.042 -14.427 1.00 0.00 C ATOM 825 C ASP A 59 -5.132 5.028 -14.203 1.00 0.00 C ATOM 826 O ASP A 59 -5.038 5.647 -13.143 1.00 0.00 O ATOM 827 CB ASP A 59 -5.800 2.619 -14.120 1.00 0.00 C ATOM 828 CG ASP A 59 -5.370 2.447 -12.677 1.00 0.00 C ATOM 829 OD1 ASP A 59 -6.241 2.508 -11.785 1.00 0.00 O ATOM 830 OD2 ASP A 59 -4.160 2.242 -12.441 1.00 0.00 O ATOM 0 H ASP A 59 -6.707 3.256 -16.326 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.093 4.303 -13.753 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.602 1.915 -14.343 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.966 2.370 -14.776 1.00 0.00 H new ATOM 835 N VAL A 60 -4.270 5.175 -15.209 1.00 0.00 N ATOM 836 CA VAL A 60 -3.119 6.073 -15.119 1.00 0.00 C ATOM 837 C VAL A 60 -3.528 7.539 -14.934 1.00 0.00 C ATOM 838 O VAL A 60 -2.767 8.329 -14.369 1.00 0.00 O ATOM 839 CB VAL A 60 -2.203 5.947 -16.355 1.00 0.00 C ATOM 840 CG1 VAL A 60 -1.583 4.558 -16.419 1.00 0.00 C ATOM 841 CG2 VAL A 60 -2.965 6.250 -17.639 1.00 0.00 C ATOM 0 H VAL A 60 -4.348 4.682 -16.098 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.568 5.761 -14.232 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.404 6.682 -16.257 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.940 4.487 -17.296 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.992 4.382 -15.521 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.373 3.810 -16.486 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.293 6.153 -18.492 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.791 5.547 -17.746 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.356 7.267 -17.599 1.00 0.00 H new ATOM 851 N ASP A 61 -4.718 7.897 -15.412 1.00 0.00 N ATOM 852 CA ASP A 61 -5.218 9.267 -15.280 1.00 0.00 C ATOM 853 C ASP A 61 -5.402 9.635 -13.807 1.00 0.00 C ATOM 854 O ASP A 61 -4.996 10.710 -13.367 1.00 0.00 O ATOM 855 CB ASP A 61 -6.543 9.424 -16.032 1.00 0.00 C ATOM 856 CG ASP A 61 -7.075 10.843 -15.990 1.00 0.00 C ATOM 857 OD1 ASP A 61 -6.407 11.742 -16.544 1.00 0.00 O ATOM 858 OD2 ASP A 61 -8.167 11.051 -15.421 1.00 0.00 O ATOM 0 H ASP A 61 -5.354 7.261 -15.893 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.483 9.943 -15.716 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.405 9.123 -17.070 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.283 8.750 -15.601 1.00 0.00 H new ATOM 863 N HIS A 62 -6.011 8.725 -13.055 1.00 0.00 N ATOM 864 CA HIS A 62 -6.256 8.927 -11.633 1.00 0.00 C ATOM 865 C HIS A 62 -4.969 8.777 -10.817 1.00 0.00 C ATOM 866 O HIS A 62 -4.870 9.294 -9.701 1.00 0.00 O ATOM 867 CB HIS A 62 -7.328 7.953 -11.137 1.00 0.00 C ATOM 868 CG HIS A 62 -8.123 8.473 -9.979 1.00 0.00 C ATOM 869 ND1 HIS A 62 -8.922 9.593 -10.041 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.240 8.001 -8.714 1.00 0.00 C ATOM 871 CE1 HIS A 62 -9.488 9.763 -8.838 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.105 8.822 -7.996 1.00 0.00 N ATOM 0 H HIS A 62 -6.347 7.831 -13.412 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.616 9.946 -11.494 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.007 7.724 -11.959 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.850 7.017 -10.848 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.741 7.126 -8.324 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.168 10.565 -8.590 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.385 8.718 -7.021 1.00 0.00 H new ATOM 879 N ILE A 63 -3.981 8.065 -11.374 1.00 0.00 N ATOM 880 CA ILE A 63 -2.698 7.863 -10.697 1.00 0.00 C ATOM 881 C ILE A 63 -2.019 9.209 -10.421 1.00 0.00 C ATOM 882 O ILE A 63 -1.471 9.436 -9.341 1.00 0.00 O ATOM 883 CB ILE A 63 -1.744 6.950 -11.511 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.260 5.509 -11.511 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.327 7.001 -10.958 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.512 4.592 -12.456 1.00 0.00 C ATOM 0 H ILE A 63 -4.047 7.621 -12.290 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.911 7.362 -9.752 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.720 7.319 -12.536 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.191 5.108 -10.500 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.316 5.511 -11.781 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.318 6.351 -11.549 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.046 8.024 -11.007 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.329 6.665 -9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.935 3.589 -12.400 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.602 4.968 -13.475 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.460 4.559 -12.174 1.00 0.00 H new ATOM 898 N GLU A 64 -2.041 10.090 -11.405 1.00 0.00 N ATOM 899 CA GLU A 64 -1.455 11.416 -11.255 1.00 0.00 C ATOM 900 C GLU A 64 -2.240 12.250 -10.234 1.00 0.00 C ATOM 901 O GLU A 64 -1.667 13.038 -9.489 1.00 0.00 O ATOM 902 CB GLU A 64 -1.423 12.135 -12.604 1.00 0.00 C ATOM 903 CG GLU A 64 -0.431 11.538 -13.592 1.00 0.00 C ATOM 904 CD GLU A 64 -0.533 12.156 -14.974 1.00 0.00 C ATOM 905 OE1 GLU A 64 -1.517 12.877 -15.233 1.00 0.00 O ATOM 906 OE2 GLU A 64 0.376 11.916 -15.796 1.00 0.00 O ATOM 0 H GLU A 64 -2.458 9.914 -12.319 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.435 11.297 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.420 12.109 -13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.174 13.184 -12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.581 11.675 -13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.601 10.464 -13.666 1.00 0.00 H new ATOM 913 N LYS A 65 -3.558 12.073 -10.232 1.00 0.00 N ATOM 914 CA LYS A 65 -4.455 12.828 -9.354 1.00 0.00 C ATOM 915 C LYS A 65 -4.241 12.589 -7.846 1.00 0.00 C ATOM 916 O LYS A 65 -4.176 13.549 -7.080 1.00 0.00 O ATOM 917 CB LYS A 65 -5.900 12.487 -9.726 1.00 0.00 C ATOM 918 CG LYS A 65 -6.314 13.032 -11.085 1.00 0.00 C ATOM 919 CD LYS A 65 -7.726 12.611 -11.457 1.00 0.00 C ATOM 920 CE LYS A 65 -8.135 13.184 -12.803 1.00 0.00 C ATOM 921 NZ LYS A 65 -9.505 12.756 -13.197 1.00 0.00 N ATOM 0 H LYS A 65 -4.036 11.405 -10.836 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.227 13.882 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.023 11.404 -9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.569 12.886 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.250 14.120 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.617 12.679 -11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.787 11.523 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.423 12.947 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.093 14.272 -12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.423 12.866 -13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.447 12.119 -14.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.955 12.258 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.071 13.592 -13.448 1.00 0.00 H new ATOM 935 N GLU A 66 -4.129 11.330 -7.405 1.00 0.00 N ATOM 936 CA GLU A 66 -3.956 11.064 -5.966 1.00 0.00 C ATOM 937 C GLU A 66 -2.492 11.023 -5.528 1.00 0.00 C ATOM 938 O GLU A 66 -2.220 10.860 -4.341 1.00 0.00 O ATOM 939 CB GLU A 66 -4.671 9.783 -5.502 1.00 0.00 C ATOM 940 CG GLU A 66 -6.003 9.529 -6.192 1.00 0.00 C ATOM 941 CD GLU A 66 -6.829 8.473 -5.486 1.00 0.00 C ATOM 942 OE1 GLU A 66 -7.615 8.839 -4.588 1.00 0.00 O ATOM 943 OE2 GLU A 66 -6.689 7.279 -5.829 1.00 0.00 O ATOM 0 H GLU A 66 -4.153 10.501 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.428 11.917 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.015 8.930 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.837 9.842 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.569 10.459 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.822 9.217 -7.221 1.00 0.00 H new ATOM 950 N VAL A 67 -1.549 11.141 -6.466 1.00 0.00 N ATOM 951 CA VAL A 67 -0.127 11.097 -6.107 1.00 0.00 C ATOM 952 C VAL A 67 0.217 12.171 -5.063 1.00 0.00 C ATOM 953 O VAL A 67 1.076 11.965 -4.207 1.00 0.00 O ATOM 954 CB VAL A 67 0.795 11.232 -7.351 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.867 12.667 -7.854 1.00 0.00 C ATOM 956 CG2 VAL A 67 2.188 10.700 -7.044 1.00 0.00 C ATOM 0 H VAL A 67 -1.737 11.265 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 67 0.056 10.116 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 67 0.357 10.631 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.522 12.715 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.131 13.006 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.262 13.309 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.819 10.803 -7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.621 11.267 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.123 9.648 -6.765 1.00 0.00 H new ATOM 966 N ASP A 68 -0.474 13.310 -5.127 1.00 0.00 N ATOM 967 CA ASP A 68 -0.256 14.397 -4.173 1.00 0.00 C ATOM 968 C ASP A 68 -1.149 14.230 -2.945 1.00 0.00 C ATOM 969 O ASP A 68 -1.052 14.994 -1.985 1.00 0.00 O ATOM 970 CB ASP A 68 -0.527 15.759 -4.825 1.00 0.00 C ATOM 971 CG ASP A 68 0.531 16.149 -5.838 1.00 0.00 C ATOM 972 OD1 ASP A 68 1.613 15.524 -5.842 1.00 0.00 O ATOM 973 OD2 ASP A 68 0.277 17.082 -6.630 1.00 0.00 O ATOM 0 H ASP A 68 -1.188 13.503 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 68 0.787 14.357 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.500 15.734 -5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.580 16.523 -4.050 1.00 0.00 H new ATOM 978 N GLN A 69 -2.017 13.222 -2.985 1.00 0.00 N ATOM 979 CA GLN A 69 -2.955 12.957 -1.895 1.00 0.00 C ATOM 980 C GLN A 69 -2.546 11.731 -1.075 1.00 0.00 C ATOM 981 O GLN A 69 -3.376 11.139 -0.386 1.00 0.00 O ATOM 982 CB GLN A 69 -4.367 12.755 -2.450 1.00 0.00 C ATOM 983 CG GLN A 69 -4.903 13.947 -3.232 1.00 0.00 C ATOM 984 CD GLN A 69 -4.982 15.212 -2.401 1.00 0.00 C ATOM 985 OE1 GLN A 69 -4.329 16.209 -2.703 1.00 0.00 O ATOM 986 NE2 GLN A 69 -5.783 15.180 -1.345 1.00 0.00 N ATOM 0 H GLN A 69 -2.091 12.570 -3.766 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.939 13.824 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.370 11.878 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.044 12.542 -1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.263 14.126 -4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.895 13.707 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.308 14.333 -1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.874 16.003 -0.749 1.00 0.00 H new ATOM 995 N GLY A 70 -1.272 11.359 -1.139 1.00 0.00 N ATOM 996 CA GLY A 70 -0.806 10.205 -0.384 1.00 0.00 C ATOM 997 C GLY A 70 -0.591 8.956 -1.223 1.00 0.00 C ATOM 998 O GLY A 70 -0.628 7.854 -0.671 1.00 0.00 O ATOM 0 H GLY A 70 -0.557 11.830 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.131 10.463 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.529 9.982 0.400 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.417 9.143 -2.546 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.141 8.059 -3.520 1.00 0.00 C ATOM 1004 C LYS A 71 -1.399 7.622 -4.261 1.00 0.00 C ATOM 1005 O LYS A 71 -2.508 7.667 -3.732 1.00 0.00 O ATOM 1006 CB LYS A 71 0.519 6.833 -2.872 1.00 0.00 C ATOM 1007 CG LYS A 71 0.598 5.605 -3.778 1.00 0.00 C ATOM 1008 CD LYS A 71 1.654 5.767 -4.870 1.00 0.00 C ATOM 1009 CE LYS A 71 3.054 5.577 -4.335 1.00 0.00 C ATOM 1010 NZ LYS A 71 3.063 5.200 -2.893 1.00 0.00 N ATOM 0 H LYS A 71 -0.464 10.065 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 71 0.561 8.487 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.527 7.102 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.036 6.570 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.830 4.725 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.375 5.430 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.468 5.044 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.567 6.758 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.560 4.804 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.620 6.498 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.043 5.180 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.517 5.897 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.636 4.259 -2.778 1.00 0.00 H new ATOM 1024 N SER A 72 -1.206 7.209 -5.508 1.00 0.00 N ATOM 1025 CA SER A 72 -2.288 6.728 -6.345 1.00 0.00 C ATOM 1026 C SER A 72 -1.862 5.485 -7.111 1.00 0.00 C ATOM 1027 O SER A 72 -2.648 4.572 -7.288 1.00 0.00 O ATOM 1028 CB SER A 72 -2.711 7.802 -7.326 1.00 0.00 C ATOM 1029 OG SER A 72 -4.025 7.568 -7.803 1.00 0.00 O ATOM 0 H SER A 72 -0.293 7.200 -5.963 1.00 0.00 H new ATOM 0 HA SER A 72 -3.129 6.476 -5.699 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.664 8.778 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.015 7.827 -8.165 1.00 0.00 H new ATOM 0 HG SER A 72 -4.074 6.673 -8.200 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.607 5.448 -7.551 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.125 4.298 -8.306 1.00 0.00 C ATOM 1037 C GLY A 73 -0.417 2.977 -7.621 1.00 0.00 C ATOM 1038 O GLY A 73 -1.156 2.150 -8.152 1.00 0.00 O ATOM 0 H GLY A 73 0.082 6.185 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.586 4.299 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.950 4.393 -8.456 1.00 0.00 H new ATOM 1042 N THR A 74 0.146 2.768 -6.444 1.00 0.00 N ATOM 1043 CA THR A 74 -0.098 1.536 -5.720 1.00 0.00 C ATOM 1044 C THR A 74 -1.338 1.639 -4.829 1.00 0.00 C ATOM 1045 O THR A 74 -2.080 0.668 -4.671 1.00 0.00 O ATOM 1046 CB THR A 74 1.121 1.115 -4.868 1.00 0.00 C ATOM 1047 OG1 THR A 74 0.871 -0.147 -4.236 1.00 0.00 O ATOM 1048 CG2 THR A 74 1.454 2.154 -3.810 1.00 0.00 C ATOM 0 H THR A 74 0.767 3.427 -5.975 1.00 0.00 H new ATOM 0 HA THR A 74 -0.273 0.769 -6.474 1.00 0.00 H new ATOM 0 HB THR A 74 1.975 1.028 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.062 -0.076 -3.277 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.316 1.821 -3.232 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.685 3.104 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.600 2.283 -3.145 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.552 2.824 -4.250 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.673 3.050 -3.345 1.00 0.00 C ATOM 1058 C ARG A 75 -4.021 2.859 -4.032 1.00 0.00 C ATOM 1059 O ARG A 75 -4.889 2.174 -3.508 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.603 4.455 -2.747 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.622 4.683 -1.642 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.498 6.065 -1.029 1.00 0.00 C ATOM 1063 NE ARG A 75 -4.473 6.274 0.038 1.00 0.00 N ATOM 1064 CZ ARG A 75 -4.580 7.405 0.727 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -5.495 7.520 1.680 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -3.768 8.418 0.460 1.00 0.00 N ATOM 0 H ARG A 75 -0.959 3.641 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.592 2.306 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.602 4.626 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.762 5.188 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.627 4.554 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.490 3.929 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.491 6.198 -0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.638 6.820 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.107 5.509 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.118 6.739 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.575 8.389 2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.064 8.328 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.847 9.288 0.987 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.183 3.453 -5.216 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.437 3.343 -5.960 1.00 0.00 C ATOM 1082 C GLU A 76 -5.714 1.891 -6.335 1.00 0.00 C ATOM 1083 O GLU A 76 -6.855 1.438 -6.285 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.399 4.215 -7.220 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.678 4.165 -8.034 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.575 4.916 -9.346 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.499 5.484 -9.628 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.574 4.934 -10.095 1.00 0.00 O ATOM 0 H GLU A 76 -3.465 4.012 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.243 3.697 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.203 5.247 -6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.567 3.896 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.933 3.125 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.494 4.584 -7.445 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.665 1.178 -6.727 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.789 -0.225 -7.102 1.00 0.00 C ATOM 1097 C LEU A 77 -5.289 -1.059 -5.921 1.00 0.00 C ATOM 1098 O LEU A 77 -6.200 -1.874 -6.066 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.435 -0.758 -7.586 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.418 -2.228 -8.011 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.346 -2.457 -9.194 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.001 -2.666 -8.348 1.00 0.00 C ATOM 0 H LEU A 77 -3.717 1.549 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.516 -0.304 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.106 -0.151 -8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.704 -0.620 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.777 -2.831 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.319 -3.509 -9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.364 -2.183 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.022 -1.844 -10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.006 -3.714 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.616 -2.056 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.364 -2.543 -7.472 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.685 -0.850 -4.755 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.065 -1.579 -3.546 1.00 0.00 C ATOM 1116 C LEU A 78 -6.427 -1.108 -3.006 1.00 0.00 C ATOM 1117 O LEU A 78 -7.253 -1.914 -2.584 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.972 -1.412 -2.476 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.584 -1.931 -2.875 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.577 -1.678 -1.764 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.639 -3.412 -3.218 1.00 0.00 C ATOM 0 H LEU A 78 -3.928 -0.180 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.164 -2.635 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.889 -0.354 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.290 -1.930 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.261 -1.387 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.599 -2.053 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.511 -0.607 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.898 -2.192 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.644 -3.758 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.988 -3.973 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.325 -3.567 -4.051 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.658 0.200 -3.059 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.897 0.815 -2.556 1.00 0.00 C ATOM 1135 C TRP A 79 -9.079 0.647 -3.521 1.00 0.00 C ATOM 1136 O TRP A 79 -10.208 1.005 -3.186 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.654 2.307 -2.290 1.00 0.00 C ATOM 1138 CG TRP A 79 -8.602 2.919 -1.302 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -9.695 3.686 -1.584 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.531 2.832 0.128 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -10.317 4.072 -0.421 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -9.619 3.562 0.643 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -7.658 2.205 1.018 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -9.854 3.681 2.012 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -7.891 2.324 2.377 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.981 3.057 2.861 1.00 0.00 C ATOM 0 H TRP A 79 -5.996 0.870 -3.451 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.163 0.300 -1.633 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -6.635 2.438 -1.927 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -7.729 2.849 -3.232 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.024 3.951 -2.578 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -11.159 4.644 -0.360 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.815 1.637 0.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.694 4.245 2.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.221 1.844 3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.136 3.132 3.927 1.00 0.00 H new ATOM 1157 N SER A 80 -8.824 0.114 -4.713 1.00 0.00 N ATOM 1158 CA SER A 80 -9.873 -0.046 -5.729 1.00 0.00 C ATOM 1159 C SER A 80 -11.053 -0.893 -5.242 1.00 0.00 C ATOM 1160 O SER A 80 -12.202 -0.594 -5.569 1.00 0.00 O ATOM 1161 CB SER A 80 -9.287 -0.662 -7.002 1.00 0.00 C ATOM 1162 OG SER A 80 -8.764 -1.959 -6.755 1.00 0.00 O ATOM 0 H SER A 80 -7.903 -0.215 -5.003 1.00 0.00 H new ATOM 0 HA SER A 80 -10.258 0.952 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.059 -0.719 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.498 -0.018 -7.390 1.00 0.00 H new ATOM 0 HG SER A 80 -7.902 -1.882 -6.296 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.785 -1.948 -4.479 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.866 -2.789 -3.973 1.00 0.00 C ATOM 1170 C TRP A 81 -12.408 -2.248 -2.648 1.00 0.00 C ATOM 1171 O TRP A 81 -13.308 -1.410 -2.633 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.384 -4.235 -3.812 1.00 0.00 C ATOM 1173 CG TRP A 81 -11.432 -5.019 -5.089 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -10.383 -5.309 -5.913 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.590 -5.616 -5.684 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.817 -6.051 -6.986 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -12.167 -6.252 -6.867 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.940 -5.676 -5.333 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -13.050 -6.938 -7.700 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.815 -6.357 -6.159 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -14.367 -6.980 -7.330 1.00 0.00 C ATOM 0 H TRP A 81 -9.847 -2.238 -4.201 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.680 -2.773 -4.698 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.362 -4.230 -3.434 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.998 -4.735 -3.063 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -9.361 -5.001 -5.746 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -10.230 -6.395 -7.746 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.295 -5.199 -4.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.707 -7.419 -8.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.861 -6.409 -5.897 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -15.075 -7.505 -7.954 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.850 -2.723 -1.537 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.265 -2.262 -0.215 1.00 0.00 C ATOM 1194 C ALA A 82 -11.177 -1.383 0.387 1.00 0.00 C ATOM 1195 O ALA A 82 -11.203 -0.159 0.253 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.579 -3.447 0.691 1.00 0.00 C ATOM 0 H ALA A 82 -11.111 -3.426 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.175 -1.670 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.886 -3.084 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.385 -4.036 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.691 -4.070 0.797 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.220 -2.018 1.056 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.091 -1.304 1.634 1.00 0.00 C ATOM 1204 C GLN A 83 -7.851 -1.641 0.817 1.00 0.00 C ATOM 1205 O GLN A 83 -7.179 -0.759 0.288 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.878 -1.689 3.104 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.116 -1.523 3.973 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.851 -2.833 4.198 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -10.783 -3.747 3.375 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.561 -2.930 5.314 1.00 0.00 N ATOM 0 H GLN A 83 -10.205 -3.026 1.210 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.289 -0.232 1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.549 -2.727 3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.073 -1.080 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.826 -1.103 4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.791 -0.807 3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.590 -2.149 5.969 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.078 -3.786 5.517 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.547 -2.933 0.741 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.430 -3.406 -0.061 1.00 0.00 C ATOM 1221 C LYS A 84 -6.868 -4.604 -0.913 1.00 0.00 C ATOM 1222 O LYS A 84 -6.557 -4.675 -2.101 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.231 -3.763 0.835 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.146 -4.568 0.130 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.867 -4.651 0.948 1.00 0.00 C ATOM 1226 CE LYS A 84 -3.115 -5.257 2.314 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.723 -6.612 2.221 1.00 0.00 N ATOM 0 H LYS A 84 -8.060 -3.669 1.226 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.112 -2.608 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.793 -2.843 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.589 -4.330 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.514 -5.575 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.928 -4.112 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.130 -5.250 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.443 -3.653 1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.173 -5.319 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.773 -4.603 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.680 -6.591 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.776 -6.901 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.138 -7.292 2.748 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.615 -5.526 -0.284 1.00 0.00 N ATOM 1242 CA ASN A 85 -8.148 -6.734 -0.945 1.00 0.00 C ATOM 1243 C ASN A 85 -7.072 -7.464 -1.756 1.00 0.00 C ATOM 1244 O ASN A 85 -7.351 -8.043 -2.805 1.00 0.00 O ATOM 1245 CB ASN A 85 -9.337 -6.386 -1.845 1.00 0.00 C ATOM 1246 CG ASN A 85 -10.220 -7.592 -2.131 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.488 -8.406 -1.244 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.673 -7.716 -3.369 1.00 0.00 N ATOM 0 H ASN A 85 -7.869 -5.456 0.702 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.486 -7.405 -0.156 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.933 -5.607 -1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.969 -5.977 -2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.267 -8.507 -3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.428 -7.020 -4.074 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.848 -7.435 -1.256 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.729 -8.080 -1.927 1.00 0.00 C ATOM 1257 C LYS A 86 -3.846 -8.763 -0.898 1.00 0.00 C ATOM 1258 O LYS A 86 -4.000 -8.537 0.300 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.908 -7.055 -2.721 1.00 0.00 C ATOM 1260 CG LYS A 86 -4.190 -7.055 -4.218 1.00 0.00 C ATOM 1261 CD LYS A 86 -5.208 -5.991 -4.598 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.661 -6.140 -6.043 1.00 0.00 C ATOM 1263 NZ LYS A 86 -6.465 -4.974 -6.498 1.00 0.00 N ATOM 0 H LYS A 86 -5.602 -6.969 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.119 -8.822 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.109 -6.060 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.848 -7.253 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.262 -6.882 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.559 -8.036 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.072 -6.060 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.773 -5.002 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.789 -6.252 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.252 -7.050 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.495 -4.958 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.432 -5.052 -6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.030 -4.096 -6.151 1.00 0.00 H new ATOM 1277 N THR A 87 -2.923 -9.595 -1.351 1.00 0.00 N ATOM 1278 CA THR A 87 -2.029 -10.279 -0.436 1.00 0.00 C ATOM 1279 C THR A 87 -0.576 -10.012 -0.809 1.00 0.00 C ATOM 1280 O THR A 87 -0.272 -9.648 -1.947 1.00 0.00 O ATOM 1281 CB THR A 87 -2.280 -11.801 -0.405 1.00 0.00 C ATOM 1282 OG1 THR A 87 -2.015 -12.372 -1.694 1.00 0.00 O ATOM 1283 CG2 THR A 87 -3.715 -12.110 0.003 1.00 0.00 C ATOM 0 H THR A 87 -2.775 -9.811 -2.337 1.00 0.00 H new ATOM 0 HA THR A 87 -2.232 -9.884 0.559 1.00 0.00 H new ATOM 0 HB THR A 87 -1.607 -12.238 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.176 -13.338 -1.663 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.865 -13.190 0.017 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.906 -11.704 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.402 -11.657 -0.712 1.00 0.00 H new ATOM 1291 N ILE A 88 0.313 -10.194 0.163 1.00 0.00 N ATOM 1292 CA ILE A 88 1.741 -9.973 -0.038 1.00 0.00 C ATOM 1293 C ILE A 88 2.314 -10.888 -1.125 1.00 0.00 C ATOM 1294 O ILE A 88 3.164 -10.464 -1.902 1.00 0.00 O ATOM 1295 CB ILE A 88 2.511 -10.145 1.293 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.624 -8.793 1.995 1.00 0.00 C ATOM 1297 CG2 ILE A 88 3.888 -10.767 1.088 1.00 0.00 C ATOM 1298 CD1 ILE A 88 3.330 -7.741 1.175 1.00 0.00 C ATOM 0 H ILE A 88 0.066 -10.497 1.105 1.00 0.00 H new ATOM 0 HA ILE A 88 1.869 -8.947 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 88 1.948 -10.836 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.624 -8.437 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.157 -8.926 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.389 -10.867 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.779 -11.751 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.482 -10.128 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.372 -6.809 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.343 -8.075 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.786 -7.579 0.245 1.00 0.00 H new ATOM 1310 N GLY A 89 1.839 -12.133 -1.183 1.00 0.00 N ATOM 1311 CA GLY A 89 2.335 -13.072 -2.184 1.00 0.00 C ATOM 1312 C GLY A 89 2.082 -12.601 -3.607 1.00 0.00 C ATOM 1313 O GLY A 89 2.943 -12.746 -4.476 1.00 0.00 O ATOM 0 H GLY A 89 1.124 -12.508 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.405 -13.219 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.857 -14.040 -2.036 1.00 0.00 H new ATOM 1317 N ASP A 90 0.897 -12.047 -3.845 1.00 0.00 N ATOM 1318 CA ASP A 90 0.530 -11.543 -5.168 1.00 0.00 C ATOM 1319 C ASP A 90 1.371 -10.322 -5.543 1.00 0.00 C ATOM 1320 O ASP A 90 1.839 -10.197 -6.673 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.959 -11.184 -5.207 1.00 0.00 C ATOM 1322 CG ASP A 90 -1.434 -10.826 -6.602 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -1.845 -11.744 -7.342 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.397 -9.628 -6.954 1.00 0.00 O ATOM 0 H ASP A 90 0.171 -11.935 -3.137 1.00 0.00 H new ATOM 0 HA ASP A 90 0.726 -12.332 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.542 -12.025 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.145 -10.345 -4.537 1.00 0.00 H new ATOM 1329 N LEU A 91 1.564 -9.430 -4.572 1.00 0.00 N ATOM 1330 CA LEU A 91 2.336 -8.207 -4.780 1.00 0.00 C ATOM 1331 C LEU A 91 3.839 -8.484 -4.819 1.00 0.00 C ATOM 1332 O LEU A 91 4.600 -7.720 -5.407 1.00 0.00 O ATOM 1333 CB LEU A 91 2.003 -7.176 -3.692 1.00 0.00 C ATOM 1334 CG LEU A 91 1.596 -5.775 -4.202 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.454 -5.348 -5.383 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.125 -5.760 -4.592 1.00 0.00 C ATOM 0 H LEU A 91 1.193 -9.534 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 91 2.056 -7.799 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.192 -7.570 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.871 -7.068 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 91 1.756 -5.064 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.144 -4.359 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.501 -5.317 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.333 -6.062 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.147 -4.767 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.049 -6.490 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.484 -6.013 -3.724 1.00 0.00 H new ATOM 1348 N LEU A 92 4.259 -9.584 -4.197 1.00 0.00 N ATOM 1349 CA LEU A 92 5.671 -9.967 -4.162 1.00 0.00 C ATOM 1350 C LEU A 92 6.217 -10.166 -5.572 1.00 0.00 C ATOM 1351 O LEU A 92 7.332 -9.740 -5.878 1.00 0.00 O ATOM 1352 CB LEU A 92 5.850 -11.252 -3.341 1.00 0.00 C ATOM 1353 CG LEU A 92 7.284 -11.780 -3.250 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.196 -10.761 -2.585 1.00 0.00 C ATOM 1355 CD2 LEU A 92 7.316 -13.099 -2.491 1.00 0.00 C ATOM 0 H LEU A 92 3.639 -10.229 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 92 6.231 -9.160 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.483 -11.071 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.221 -12.030 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 92 7.649 -11.952 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.209 -11.159 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.198 -9.840 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.835 -10.552 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.342 -13.462 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.929 -12.948 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.700 -13.833 -3.011 1.00 0.00 H new ATOM 1367 N GLN A 93 5.426 -10.810 -6.423 1.00 0.00 N ATOM 1368 CA GLN A 93 5.823 -11.063 -7.806 1.00 0.00 C ATOM 1369 C GLN A 93 6.033 -9.744 -8.551 1.00 0.00 C ATOM 1370 O GLN A 93 6.982 -9.595 -9.322 1.00 0.00 O ATOM 1371 CB GLN A 93 4.743 -11.893 -8.499 1.00 0.00 C ATOM 1372 CG GLN A 93 4.642 -13.316 -7.971 1.00 0.00 C ATOM 1373 CD GLN A 93 3.430 -14.048 -8.505 1.00 0.00 C ATOM 1374 OE1 GLN A 93 3.445 -14.572 -9.618 1.00 0.00 O ATOM 1375 NE2 GLN A 93 2.364 -14.082 -7.716 1.00 0.00 N ATOM 0 H GLN A 93 4.502 -11.168 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 93 6.764 -11.614 -7.813 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.780 -11.398 -8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.950 -11.924 -9.569 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.543 -13.866 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.598 -13.294 -6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.393 -13.635 -6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.515 -14.555 -8.026 1.00 0.00 H new ATOM 1384 N VAL A 94 5.133 -8.793 -8.309 1.00 0.00 N ATOM 1385 CA VAL A 94 5.214 -7.473 -8.926 1.00 0.00 C ATOM 1386 C VAL A 94 6.412 -6.701 -8.361 1.00 0.00 C ATOM 1387 O VAL A 94 7.140 -6.027 -9.095 1.00 0.00 O ATOM 1388 CB VAL A 94 3.913 -6.671 -8.697 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.025 -5.266 -9.271 1.00 0.00 C ATOM 1390 CG2 VAL A 94 2.720 -7.403 -9.297 1.00 0.00 C ATOM 0 H VAL A 94 4.335 -8.915 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 94 5.346 -7.608 -9.999 1.00 0.00 H new ATOM 0 HB VAL A 94 3.759 -6.582 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.095 -4.726 -9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.848 -4.740 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.213 -5.325 -10.343 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.813 -6.823 -9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.872 -7.530 -10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.619 -8.381 -8.827 1.00 0.00 H new ATOM 1400 N LEU A 95 6.607 -6.819 -7.044 1.00 0.00 N ATOM 1401 CA LEU A 95 7.711 -6.154 -6.346 1.00 0.00 C ATOM 1402 C LEU A 95 9.062 -6.604 -6.893 1.00 0.00 C ATOM 1403 O LEU A 95 9.965 -5.788 -7.080 1.00 0.00 O ATOM 1404 CB LEU A 95 7.649 -6.452 -4.842 1.00 0.00 C ATOM 1405 CG LEU A 95 7.056 -5.349 -3.954 1.00 0.00 C ATOM 1406 CD1 LEU A 95 5.818 -4.739 -4.586 1.00 0.00 C ATOM 1407 CD2 LEU A 95 6.724 -5.906 -2.578 1.00 0.00 C ATOM 0 H LEU A 95 6.007 -7.375 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 95 7.606 -5.082 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.063 -7.360 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.660 -6.665 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 95 7.803 -4.562 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.422 -3.961 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.079 -4.304 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.063 -5.513 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.304 -5.115 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.998 -6.713 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.632 -6.290 -2.112 1.00 0.00 H new ATOM 1419 N GLN A 96 9.198 -7.909 -7.128 1.00 0.00 N ATOM 1420 CA GLN A 96 10.439 -8.468 -7.657 1.00 0.00 C ATOM 1421 C GLN A 96 10.730 -7.938 -9.057 1.00 0.00 C ATOM 1422 O GLN A 96 11.877 -7.637 -9.386 1.00 0.00 O ATOM 1423 CB GLN A 96 10.366 -9.997 -7.686 1.00 0.00 C ATOM 1424 CG GLN A 96 10.391 -10.637 -6.306 1.00 0.00 C ATOM 1425 CD GLN A 96 10.111 -12.127 -6.348 1.00 0.00 C ATOM 1426 OE1 GLN A 96 9.388 -12.610 -7.220 1.00 0.00 O ATOM 1427 NE2 GLN A 96 10.678 -12.864 -5.405 1.00 0.00 N ATOM 0 H GLN A 96 8.464 -8.597 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 96 11.250 -8.160 -6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.453 -10.299 -8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.203 -10.381 -8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.366 -10.467 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.651 -10.150 -5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.270 -12.424 -4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.522 -13.872 -5.383 1.00 0.00 H new ATOM 1436 N GLU A 97 9.687 -7.834 -9.880 1.00 0.00 N ATOM 1437 CA GLU A 97 9.830 -7.334 -11.246 1.00 0.00 C ATOM 1438 C GLU A 97 10.291 -5.874 -11.253 1.00 0.00 C ATOM 1439 O GLU A 97 11.197 -5.506 -11.999 1.00 0.00 O ATOM 1440 CB GLU A 97 8.499 -7.470 -11.999 1.00 0.00 C ATOM 1441 CG GLU A 97 8.550 -6.989 -13.447 1.00 0.00 C ATOM 1442 CD GLU A 97 9.470 -7.823 -14.320 1.00 0.00 C ATOM 1443 OE1 GLU A 97 9.778 -8.973 -13.935 1.00 0.00 O ATOM 1444 OE2 GLU A 97 9.879 -7.328 -15.390 1.00 0.00 O ATOM 0 H GLU A 97 8.733 -8.090 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 97 10.590 -7.932 -11.749 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.191 -8.516 -11.985 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.733 -6.906 -11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.544 -7.010 -13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.882 -5.951 -13.467 1.00 0.00 H new ATOM 1451 N MET A 98 9.649 -5.049 -10.428 1.00 0.00 N ATOM 1452 CA MET A 98 9.998 -3.631 -10.335 1.00 0.00 C ATOM 1453 C MET A 98 11.353 -3.414 -9.665 1.00 0.00 C ATOM 1454 O MET A 98 12.116 -2.537 -10.070 1.00 0.00 O ATOM 1455 CB MET A 98 8.910 -2.855 -9.592 1.00 0.00 C ATOM 1456 CG MET A 98 7.606 -2.741 -10.367 1.00 0.00 C ATOM 1457 SD MET A 98 7.838 -2.042 -12.014 1.00 0.00 S ATOM 1458 CE MET A 98 8.500 -0.427 -11.613 1.00 0.00 C ATOM 0 H MET A 98 8.886 -5.336 -9.815 1.00 0.00 H new ATOM 0 HA MET A 98 10.072 -3.253 -11.355 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.714 -3.344 -8.638 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.278 -1.854 -9.368 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.153 -3.728 -10.456 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.908 -2.119 -9.807 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.151 0.301 -12.345 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.163 -0.132 -10.619 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.589 -0.466 -11.630 1.00 0.00 H new ATOM 1468 N GLY A 99 11.648 -4.208 -8.640 1.00 0.00 N ATOM 1469 CA GLY A 99 12.915 -4.071 -7.944 1.00 0.00 C ATOM 1470 C GLY A 99 12.847 -3.129 -6.753 1.00 0.00 C ATOM 1471 O GLY A 99 13.773 -2.352 -6.521 1.00 0.00 O ATOM 0 H GLY A 99 11.036 -4.940 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.243 -5.053 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.668 -3.708 -8.643 1.00 0.00 H new ATOM 1475 N HIS A 100 11.754 -3.191 -5.995 1.00 0.00 N ATOM 1476 CA HIS A 100 11.594 -2.329 -4.822 1.00 0.00 C ATOM 1477 C HIS A 100 12.401 -2.870 -3.644 1.00 0.00 C ATOM 1478 O HIS A 100 11.950 -3.763 -2.924 1.00 0.00 O ATOM 1479 CB HIS A 100 10.120 -2.213 -4.419 1.00 0.00 C ATOM 1480 CG HIS A 100 9.240 -1.606 -5.466 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.295 -0.283 -5.842 1.00 0.00 N ATOM 1482 CD2 HIS A 100 8.255 -2.164 -6.207 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.361 -0.084 -6.781 1.00 0.00 C ATOM 1484 NE2 HIS A 100 7.703 -1.195 -7.040 1.00 0.00 N ATOM 0 H HIS A 100 10.972 -3.822 -6.168 1.00 0.00 H new ATOM 0 HA HIS A 100 11.964 -1.339 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.743 -3.206 -4.176 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.050 -1.614 -3.511 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.946 -3.198 -6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.172 0.864 -7.263 1.00 0.00 H new ATOM 0 HE2 HIS A 100 6.946 -1.320 -7.712 1.00 0.00 H new ATOM 1491 N ARG A 101 13.597 -2.316 -3.459 1.00 0.00 N ATOM 1492 CA ARG A 101 14.497 -2.737 -2.384 1.00 0.00 C ATOM 1493 C ARG A 101 13.920 -2.469 -0.992 1.00 0.00 C ATOM 1494 O ARG A 101 14.043 -3.299 -0.101 1.00 0.00 O ATOM 1495 CB ARG A 101 15.837 -2.019 -2.529 1.00 0.00 C ATOM 1496 CG ARG A 101 16.643 -2.475 -3.737 1.00 0.00 C ATOM 1497 CD ARG A 101 17.902 -1.641 -3.915 1.00 0.00 C ATOM 1498 NE ARG A 101 18.826 -1.795 -2.796 1.00 0.00 N ATOM 1499 CZ ARG A 101 19.935 -1.075 -2.646 1.00 0.00 C ATOM 1500 NH1 ARG A 101 20.720 -1.273 -1.596 1.00 0.00 N ATOM 1501 NH2 ARG A 101 20.256 -0.157 -3.550 1.00 0.00 N ATOM 0 H ARG A 101 13.969 -1.568 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 101 14.629 -3.815 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.659 -0.946 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.427 -2.181 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.914 -3.524 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.028 -2.403 -4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.401 -1.932 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 101 17.629 -0.591 -4.017 1.00 0.00 H new ATOM 0 HE ARG A 101 18.609 -2.496 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.474 -1.978 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.570 -0.720 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.653 -0.004 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.106 0.396 -3.436 1.00 0.00 H new ATOM 1515 N ARG A 102 13.300 -1.310 -0.808 1.00 0.00 N ATOM 1516 CA ARG A 102 12.718 -0.952 0.488 1.00 0.00 C ATOM 1517 C ARG A 102 11.557 -1.872 0.858 1.00 0.00 C ATOM 1518 O ARG A 102 11.378 -2.233 2.024 1.00 0.00 O ATOM 1519 CB ARG A 102 12.243 0.501 0.494 1.00 0.00 C ATOM 1520 CG ARG A 102 11.846 0.993 1.881 1.00 0.00 C ATOM 1521 CD ARG A 102 13.042 1.527 2.654 1.00 0.00 C ATOM 1522 NE ARG A 102 13.818 0.459 3.279 1.00 0.00 N ATOM 1523 CZ ARG A 102 14.954 0.662 3.944 1.00 0.00 C ATOM 1524 NH1 ARG A 102 15.605 -0.362 4.477 1.00 0.00 N ATOM 1525 NH2 ARG A 102 15.438 1.892 4.072 1.00 0.00 N ATOM 0 H ARG A 102 13.185 -0.602 -1.533 1.00 0.00 H new ATOM 0 HA ARG A 102 13.504 -1.073 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.036 1.138 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.391 0.602 -0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.094 1.777 1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.388 0.177 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.684 2.093 1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.696 2.219 3.422 1.00 0.00 H new ATOM 0 HE ARG A 102 13.470 -0.497 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.236 -1.308 4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 102 16.475 -0.204 4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.940 2.681 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.308 2.047 4.581 1.00 0.00 H new ATOM 1539 N ALA A 103 10.772 -2.244 -0.148 1.00 0.00 N ATOM 1540 CA ALA A 103 9.600 -3.091 0.053 1.00 0.00 C ATOM 1541 C ALA A 103 9.952 -4.451 0.654 1.00 0.00 C ATOM 1542 O ALA A 103 9.223 -4.956 1.506 1.00 0.00 O ATOM 1543 CB ALA A 103 8.860 -3.278 -1.261 1.00 0.00 C ATOM 0 H ALA A 103 10.928 -1.970 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 103 8.957 -2.581 0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.988 -3.911 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.539 -2.307 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.522 -3.750 -1.987 1.00 0.00 H new ATOM 1549 N ILE A 104 11.066 -5.048 0.221 1.00 0.00 N ATOM 1550 CA ILE A 104 11.463 -6.358 0.742 1.00 0.00 C ATOM 1551 C ILE A 104 11.897 -6.269 2.209 1.00 0.00 C ATOM 1552 O ILE A 104 11.827 -7.255 2.942 1.00 0.00 O ATOM 1553 CB ILE A 104 12.580 -7.022 -0.099 1.00 0.00 C ATOM 1554 CG1 ILE A 104 13.893 -6.242 0.002 1.00 0.00 C ATOM 1555 CG2 ILE A 104 12.142 -7.141 -1.555 1.00 0.00 C ATOM 1556 CD1 ILE A 104 15.076 -6.960 -0.614 1.00 0.00 C ATOM 0 H ILE A 104 11.698 -4.654 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 104 10.578 -6.990 0.672 1.00 0.00 H new ATOM 0 HB ILE A 104 12.755 -8.020 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 104 13.770 -5.276 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.107 -6.042 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 104 12.936 -7.609 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.240 -7.750 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 104 11.936 -6.148 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.971 -6.347 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.226 -7.914 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.884 -7.136 -1.672 1.00 0.00 H new ATOM 1568 N HIS A 105 12.361 -5.096 2.631 1.00 0.00 N ATOM 1569 CA HIS A 105 12.766 -4.900 4.021 1.00 0.00 C ATOM 1570 C HIS A 105 11.547 -4.895 4.944 1.00 0.00 C ATOM 1571 O HIS A 105 11.586 -5.444 6.043 1.00 0.00 O ATOM 1572 CB HIS A 105 13.550 -3.595 4.184 1.00 0.00 C ATOM 1573 CG HIS A 105 14.966 -3.676 3.703 1.00 0.00 C ATOM 1574 ND1 HIS A 105 15.521 -3.261 2.535 1.00 0.00 N flip ATOM 1575 CD2 HIS A 105 15.995 -4.225 4.434 1.00 0.00 C flip ATOM 1576 CE1 HIS A 105 16.882 -3.549 2.547 1.00 0.00 C flip ATOM 1577 NE2 HIS A 105 17.116 -4.127 3.709 1.00 0.00 N flip ATOM 0 H HIS A 105 12.466 -4.273 2.037 1.00 0.00 H new ATOM 0 HA HIS A 105 13.414 -5.731 4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.036 -2.803 3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.549 -3.311 5.236 1.00 0.00 H new ATOM 0 HD1 HIS A 105 15.019 -2.810 1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.912 -4.659 5.420 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.599 -3.342 1.766 1.00 0.00 H new ATOM 1584 N LEU A 106 10.468 -4.263 4.486 1.00 0.00 N ATOM 1585 CA LEU A 106 9.232 -4.176 5.268 1.00 0.00 C ATOM 1586 C LEU A 106 8.332 -5.403 5.093 1.00 0.00 C ATOM 1587 O LEU A 106 7.499 -5.692 5.954 1.00 0.00 O ATOM 1588 CB LEU A 106 8.467 -2.907 4.890 1.00 0.00 C ATOM 1589 CG LEU A 106 8.116 -1.981 6.058 1.00 0.00 C ATOM 1590 CD1 LEU A 106 7.096 -2.630 6.982 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.369 -1.592 6.829 1.00 0.00 C ATOM 0 H LEU A 106 10.423 -3.803 3.577 1.00 0.00 H new ATOM 0 HA LEU A 106 9.519 -4.140 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.061 -2.346 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.544 -3.195 4.387 1.00 0.00 H new ATOM 0 HG LEU A 106 7.670 -1.075 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.865 -1.951 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.186 -2.848 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.506 -3.557 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.098 -0.934 7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.848 -2.489 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.060 -1.074 6.164 1.00 0.00 H new ATOM 1603 N ILE A 107 8.494 -6.124 3.986 1.00 0.00 N ATOM 1604 CA ILE A 107 7.676 -7.308 3.712 1.00 0.00 C ATOM 1605 C ILE A 107 7.883 -8.388 4.780 1.00 0.00 C ATOM 1606 O ILE A 107 7.031 -9.259 4.966 1.00 0.00 O ATOM 1607 CB ILE A 107 7.954 -7.888 2.300 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.796 -8.769 1.838 1.00 0.00 C ATOM 1609 CG2 ILE A 107 9.254 -8.681 2.271 1.00 0.00 C ATOM 1610 CD1 ILE A 107 6.843 -9.088 0.360 1.00 0.00 C ATOM 0 H ILE A 107 9.182 -5.911 3.264 1.00 0.00 H new ATOM 0 HA ILE A 107 6.635 -6.986 3.743 1.00 0.00 H new ATOM 0 HB ILE A 107 8.052 -7.046 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.808 -9.700 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.854 -8.269 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.419 -9.073 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.084 -8.030 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.192 -9.508 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 107 5.993 -9.717 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.801 -8.162 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.769 -9.615 0.131 1.00 0.00 H new ATOM 1622 N THR A 108 9.011 -8.317 5.489 1.00 0.00 N ATOM 1623 CA THR A 108 9.321 -9.280 6.541 1.00 0.00 C ATOM 1624 C THR A 108 8.342 -9.169 7.713 1.00 0.00 C ATOM 1625 O THR A 108 8.258 -10.073 8.544 1.00 0.00 O ATOM 1626 CB THR A 108 10.772 -9.120 7.056 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.142 -10.261 7.838 1.00 0.00 O ATOM 1628 CG2 THR A 108 10.933 -7.857 7.893 1.00 0.00 C ATOM 0 H THR A 108 9.724 -7.601 5.352 1.00 0.00 H new ATOM 0 HA THR A 108 9.220 -10.269 6.094 1.00 0.00 H new ATOM 0 HB THR A 108 11.425 -9.039 6.187 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.336 -10.685 8.200 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.964 -7.778 8.237 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.685 -6.985 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.266 -7.903 8.754 1.00 0.00 H new ATOM 1636 N ASN A 109 7.608 -8.052 7.790 1.00 0.00 N ATOM 1637 CA ASN A 109 6.634 -7.857 8.864 1.00 0.00 C ATOM 1638 C ASN A 109 5.346 -8.639 8.599 1.00 0.00 C ATOM 1639 O ASN A 109 4.480 -8.741 9.470 1.00 0.00 O ATOM 1640 CB ASN A 109 6.324 -6.371 9.059 1.00 0.00 C ATOM 1641 CG ASN A 109 7.482 -5.617 9.686 1.00 0.00 C ATOM 1642 OD1 ASN A 109 8.164 -4.838 9.024 1.00 0.00 O ATOM 1643 ND2 ASN A 109 7.711 -5.846 10.974 1.00 0.00 N ATOM 0 H ASN A 109 7.671 -7.279 7.128 1.00 0.00 H new ATOM 0 HA ASN A 109 7.079 -8.241 9.782 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.082 -5.923 8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.441 -6.266 9.690 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.476 -5.367 11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.122 -6.501 11.488 1.00 0.00 H new ATOM 1650 N TYR A 110 5.218 -9.174 7.387 1.00 0.00 N ATOM 1651 CA TYR A 110 4.047 -9.963 7.009 1.00 0.00 C ATOM 1652 C TYR A 110 4.067 -11.322 7.710 1.00 0.00 C ATOM 1653 O TYR A 110 5.110 -11.968 7.806 1.00 0.00 O ATOM 1654 CB TYR A 110 3.993 -10.148 5.486 1.00 0.00 C ATOM 1655 CG TYR A 110 2.916 -11.105 5.014 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.573 -10.737 5.009 1.00 0.00 C ATOM 1657 CD2 TYR A 110 3.246 -12.380 4.573 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.598 -11.615 4.578 1.00 0.00 C ATOM 1659 CE2 TYR A 110 2.276 -13.262 4.139 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.953 -12.875 4.145 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.017 -13.752 3.713 1.00 0.00 O ATOM 0 H TYR A 110 5.913 -9.075 6.647 1.00 0.00 H new ATOM 0 HA TYR A 110 3.153 -9.425 7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.830 -9.177 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.962 -10.510 5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.290 -9.751 5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 110 4.281 -12.688 4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.440 -11.316 4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.552 -14.249 3.797 1.00 0.00 H new ATOM 0 HH TYR A 110 0.402 -14.595 3.441 1.00 0.00 H new ATOM 1671 N GLY A 111 2.906 -11.752 8.198 1.00 0.00 N ATOM 1672 CA GLY A 111 2.819 -13.025 8.887 1.00 0.00 C ATOM 1673 C GLY A 111 2.149 -12.909 10.242 1.00 0.00 C ATOM 1674 O GLY A 111 1.892 -13.916 10.899 1.00 0.00 O ATOM 0 H GLY A 111 2.026 -11.241 8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 111 2.263 -13.731 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.821 -13.434 9.015 1.00 0.00 H new ATOM 1678 N ALA A 112 1.879 -11.672 10.660 1.00 0.00 N ATOM 1679 CA ALA A 112 1.216 -11.418 11.939 1.00 0.00 C ATOM 1680 C ALA A 112 -0.186 -12.024 11.954 1.00 0.00 C ATOM 1681 O ALA A 112 -0.631 -12.569 12.964 1.00 0.00 O ATOM 1682 CB ALA A 112 1.150 -9.922 12.213 1.00 0.00 C ATOM 0 H ALA A 112 2.109 -10.831 10.132 1.00 0.00 H new ATOM 0 HA ALA A 112 1.801 -11.893 12.727 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.654 -9.749 13.168 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.160 -9.514 12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.589 -9.431 11.418 1.00 0.00 H new ATOM 1688 N VAL A 113 -0.877 -11.915 10.823 1.00 0.00 N ATOM 1689 CA VAL A 113 -2.225 -12.450 10.681 1.00 0.00 C ATOM 1690 C VAL A 113 -2.329 -13.316 9.428 1.00 0.00 C ATOM 1691 O VAL A 113 -1.500 -13.211 8.521 1.00 0.00 O ATOM 1692 CB VAL A 113 -3.291 -11.330 10.622 1.00 0.00 C ATOM 1693 CG1 VAL A 113 -3.348 -10.572 11.942 1.00 0.00 C ATOM 1694 CG2 VAL A 113 -3.009 -10.373 9.471 1.00 0.00 C ATOM 0 H VAL A 113 -0.520 -11.456 9.985 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.420 -13.058 11.565 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.261 -11.796 10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.104 -9.789 11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.605 -11.261 12.746 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.376 -10.123 12.146 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.772 -9.595 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.029 -9.917 9.609 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.025 -10.922 8.529 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.346 -14.168 9.381 1.00 0.00 N ATOM 1705 CA LEU A 114 -3.551 -15.050 8.239 1.00 0.00 C ATOM 1706 C LEU A 114 -4.386 -14.354 7.166 1.00 0.00 C ATOM 1707 O LEU A 114 -5.473 -13.848 7.448 1.00 0.00 O ATOM 1708 CB LEU A 114 -4.241 -16.345 8.683 1.00 0.00 C ATOM 1709 CG LEU A 114 -4.506 -17.364 7.570 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -3.201 -17.832 6.942 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -5.294 -18.548 8.108 1.00 0.00 C ATOM 0 H LEU A 114 -4.042 -14.267 10.121 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.577 -15.296 7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.627 -16.820 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.191 -16.088 9.151 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.099 -16.876 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.415 -18.555 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.675 -16.977 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.578 -18.299 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.473 -19.262 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.726 -19.032 8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.248 -18.200 8.504 1.00 0.00 H new ATOM 1723 N SER A 115 -3.864 -14.323 5.945 1.00 0.00 N ATOM 1724 CA SER A 115 -4.558 -13.692 4.826 1.00 0.00 C ATOM 1725 C SER A 115 -5.786 -14.506 4.416 1.00 0.00 C ATOM 1726 O SER A 115 -5.783 -15.736 4.520 1.00 0.00 O ATOM 1727 CB SER A 115 -3.610 -13.554 3.633 1.00 0.00 C ATOM 1728 OG SER A 115 -2.555 -12.655 3.921 1.00 0.00 O ATOM 0 H SER A 115 -2.960 -14.729 5.703 1.00 0.00 H new ATOM 0 HA SER A 115 -4.888 -12.703 5.144 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.200 -14.531 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.164 -13.202 2.763 1.00 0.00 H new ATOM 0 HG SER A 115 -1.696 -13.113 3.812 1.00 0.00 H new ATOM 1734 N PRO A 116 -6.852 -13.831 3.947 1.00 0.00 N ATOM 1735 CA PRO A 116 -8.083 -14.506 3.517 1.00 0.00 C ATOM 1736 C PRO A 116 -7.896 -15.282 2.215 1.00 0.00 C ATOM 1737 O PRO A 116 -7.125 -14.881 1.343 1.00 0.00 O ATOM 1738 CB PRO A 116 -9.068 -13.351 3.323 1.00 0.00 C ATOM 1739 CG PRO A 116 -8.208 -12.174 3.006 1.00 0.00 C ATOM 1740 CD PRO A 116 -6.946 -12.364 3.803 1.00 0.00 C ATOM 0 HA PRO A 116 -8.417 -15.250 4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.769 -13.559 2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -9.660 -13.179 4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.993 -12.123 1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.705 -11.242 3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -6.078 -11.954 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -7.004 -11.868 4.772 1.00 0.00 H new ATOM 1748 N SER A 117 -8.608 -16.398 2.090 1.00 0.00 N ATOM 1749 CA SER A 117 -8.522 -17.229 0.893 1.00 0.00 C ATOM 1750 C SER A 117 -9.510 -16.763 -0.175 1.00 0.00 C ATOM 1751 O SER A 117 -9.450 -17.200 -1.325 1.00 0.00 O ATOM 1752 CB SER A 117 -8.782 -18.694 1.250 1.00 0.00 C ATOM 1753 OG SER A 117 -10.099 -18.874 1.745 1.00 0.00 O ATOM 0 H SER A 117 -9.250 -16.748 2.801 1.00 0.00 H new ATOM 0 HA SER A 117 -7.515 -17.133 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.633 -19.318 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.061 -19.022 1.999 1.00 0.00 H new ATOM 0 HG SER A 117 -10.240 -19.819 1.964 1.00 0.00 H new ATOM 1759 N GLU A 118 -10.418 -15.873 0.212 1.00 0.00 N ATOM 1760 CA GLU A 118 -11.423 -15.354 -0.709 1.00 0.00 C ATOM 1761 C GLU A 118 -11.451 -13.829 -0.678 1.00 0.00 C ATOM 1762 O GLU A 118 -11.163 -13.213 0.349 1.00 0.00 O ATOM 1763 CB GLU A 118 -12.810 -15.902 -0.357 1.00 0.00 C ATOM 1764 CG GLU A 118 -12.909 -17.421 -0.415 1.00 0.00 C ATOM 1765 CD GLU A 118 -12.801 -17.970 -1.826 1.00 0.00 C ATOM 1766 OE1 GLU A 118 -12.986 -17.185 -2.784 1.00 0.00 O ATOM 1767 OE2 GLU A 118 -12.538 -19.180 -1.974 1.00 0.00 O ATOM 0 H GLU A 118 -10.479 -15.496 1.158 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.156 -15.680 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -13.077 -15.569 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.543 -15.474 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.119 -17.855 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.859 -17.734 0.019 1.00 0.00 H new ATOM 1774 N LYS A 119 -11.793 -13.232 -1.814 1.00 0.00 N ATOM 1775 CA LYS A 119 -11.873 -11.778 -1.928 1.00 0.00 C ATOM 1776 C LYS A 119 -13.159 -11.261 -1.291 1.00 0.00 C ATOM 1777 O LYS A 119 -14.147 -11.986 -1.197 1.00 0.00 O ATOM 1778 CB LYS A 119 -11.813 -11.357 -3.399 1.00 0.00 C ATOM 1779 CG LYS A 119 -10.495 -11.695 -4.080 1.00 0.00 C ATOM 1780 CD LYS A 119 -10.438 -11.152 -5.500 1.00 0.00 C ATOM 1781 CE LYS A 119 -11.390 -11.898 -6.425 1.00 0.00 C ATOM 1782 NZ LYS A 119 -11.283 -11.424 -7.833 1.00 0.00 N ATOM 0 H LYS A 119 -12.020 -13.733 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 119 -11.023 -11.345 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.626 -11.842 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.982 -10.282 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -9.670 -11.283 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.362 -12.777 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.691 -10.092 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.420 -11.235 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.174 -12.966 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.414 -11.767 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.947 -11.957 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.514 -10.411 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.313 -11.573 -8.177 1.00 0.00 H new ATOM 1796 N SER A 120 -13.135 -10.009 -0.837 1.00 0.00 N ATOM 1797 CA SER A 120 -14.307 -9.398 -0.213 1.00 0.00 C ATOM 1798 C SER A 120 -15.451 -9.220 -1.215 1.00 0.00 C ATOM 1799 O SER A 120 -16.623 -9.268 -0.840 1.00 0.00 O ATOM 1800 CB SER A 120 -13.935 -8.045 0.401 1.00 0.00 C ATOM 1801 OG SER A 120 -13.492 -7.136 -0.593 1.00 0.00 O ATOM 0 H SER A 120 -12.319 -9.399 -0.889 1.00 0.00 H new ATOM 0 HA SER A 120 -14.651 -10.070 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.798 -7.628 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.152 -8.184 1.146 1.00 0.00 H new ATOM 0 HG SER A 120 -12.599 -7.398 -0.901 1.00 0.00 H new ATOM 1807 N TYR A 121 -15.090 -9.015 -2.489 1.00 0.00 N ATOM 1808 CA TYR A 121 -16.065 -8.809 -3.569 1.00 0.00 C ATOM 1809 C TYR A 121 -16.942 -7.586 -3.303 1.00 0.00 C ATOM 1810 O TYR A 121 -18.097 -7.530 -3.726 1.00 0.00 O ATOM 1811 CB TYR A 121 -16.941 -10.050 -3.780 1.00 0.00 C ATOM 1812 CG TYR A 121 -16.230 -11.197 -4.467 1.00 0.00 C ATOM 1813 CD1 TYR A 121 -15.765 -12.290 -3.743 1.00 0.00 C ATOM 1814 CD2 TYR A 121 -16.027 -11.188 -5.841 1.00 0.00 C ATOM 1815 CE1 TYR A 121 -15.117 -13.336 -4.370 1.00 0.00 C ATOM 1816 CE2 TYR A 121 -15.379 -12.232 -6.476 1.00 0.00 C ATOM 1817 CZ TYR A 121 -14.926 -13.303 -5.734 1.00 0.00 C ATOM 1818 OH TYR A 121 -14.281 -14.343 -6.362 1.00 0.00 O ATOM 0 H TYR A 121 -14.119 -8.987 -2.799 1.00 0.00 H new ATOM 0 HA TYR A 121 -15.495 -8.633 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.308 -10.391 -2.812 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.813 -9.770 -4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -15.913 -12.321 -2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -16.381 -10.351 -6.424 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -14.761 -14.177 -3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -15.229 -12.209 -7.545 1.00 0.00 H new ATOM 0 HH TYR A 121 -14.230 -14.163 -7.324 1.00 0.00 H new ATOM 1828 N GLN A 122 -16.375 -6.605 -2.611 1.00 0.00 N ATOM 1829 CA GLN A 122 -17.092 -5.379 -2.288 1.00 0.00 C ATOM 1830 C GLN A 122 -16.267 -4.167 -2.698 1.00 0.00 C ATOM 1831 O GLN A 122 -15.037 -4.213 -2.678 1.00 0.00 O ATOM 1832 CB GLN A 122 -17.395 -5.317 -0.787 1.00 0.00 C ATOM 1833 CG GLN A 122 -18.409 -6.351 -0.320 1.00 0.00 C ATOM 1834 CD GLN A 122 -18.533 -6.406 1.189 1.00 0.00 C ATOM 1835 OE1 GLN A 122 -17.578 -6.126 1.913 1.00 0.00 O ATOM 1836 NE2 GLN A 122 -19.713 -6.769 1.674 1.00 0.00 N ATOM 0 H GLN A 122 -15.417 -6.636 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 122 -18.033 -5.373 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -16.467 -5.456 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -17.766 -4.322 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -19.383 -6.121 -0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -18.119 -7.333 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -20.479 -6.993 1.038 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -19.855 -6.824 2.683 1.00 0.00 H new ATOM 1845 N GLU A 123 -16.941 -3.088 -3.079 1.00 0.00 N ATOM 1846 CA GLU A 123 -16.254 -1.871 -3.491 1.00 0.00 C ATOM 1847 C GLU A 123 -16.618 -0.709 -2.575 1.00 0.00 C ATOM 1848 O GLU A 123 -17.789 -0.490 -2.265 1.00 0.00 O ATOM 1849 CB GLU A 123 -16.602 -1.522 -4.941 1.00 0.00 C ATOM 1850 CG GLU A 123 -16.015 -2.488 -5.961 1.00 0.00 C ATOM 1851 CD GLU A 123 -16.518 -2.235 -7.370 1.00 0.00 C ATOM 1852 OE1 GLU A 123 -17.502 -1.480 -7.524 1.00 0.00 O ATOM 1853 OE2 GLU A 123 -15.930 -2.794 -8.319 1.00 0.00 O ATOM 0 H GLU A 123 -17.959 -3.031 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 123 -15.181 -2.049 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -17.686 -1.506 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -16.244 -0.516 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -14.928 -2.406 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -16.261 -3.509 -5.670 1.00 0.00 H new ATOM 1860 N GLY A 124 -15.605 0.032 -2.142 1.00 0.00 N ATOM 1861 CA GLY A 124 -15.837 1.167 -1.267 1.00 0.00 C ATOM 1862 C GLY A 124 -15.501 0.862 0.181 1.00 0.00 C ATOM 1863 O GLY A 124 -15.711 1.746 1.037 1.00 0.00 O ATOM 1864 OXT GLY A 124 -15.028 -0.261 0.457 1.00 0.00 O ATOM 0 H GLY A 124 -14.627 -0.132 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -15.237 2.012 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -16.882 1.469 -1.338 1.00 0.00 H new TER 1868 GLY A 124