USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -155:sc= -0.621 (180deg=-1.26) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00147 USER MOD Single : A 3 SER OG : rot -47:sc= 1.15 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 51:sc= 0.477 USER MOD Single : A 8 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -69:sc= 1.09 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 79:sc= 1 USER MOD Single : A 38 TYR OH : rot -166:sc= 0.00734 USER MOD Single : A 39 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 44 MET CE :methyl -177:sc= -2.35 (180deg=-2.42) USER MOD Single : A 47 GLN : amide:sc=-0.00825 X(o=-0.0083,f=-0.11) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 84:sc= 1.1 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= -0.0515 USER MOD Single : A 69 MET CE :methyl 148:sc= -0.128 (180deg=-1.08) USER MOD Single : A 74 ASN : amide:sc=-0.00274 X(o=-0.0027,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -63:sc= 0.832 USER MOD Single : A 81 GLN : amide:sc= -1.83! X(o=-1.8!,f=-1.7) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0209 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.690 15.674 3.897 1.00 0.00 N ATOM 2 CA GLY A 1 -19.089 15.360 4.130 1.00 0.00 C ATOM 3 C GLY A 1 -19.675 14.565 2.962 1.00 0.00 C ATOM 4 O GLY A 1 -20.018 15.136 1.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.210 15.816 4.808 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.238 14.889 3.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.619 16.542 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.188 14.786 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.654 16.282 4.267 1.00 0.00 H new ATOM 8 N SER A 2 -19.772 13.259 3.165 1.00 0.00 N ATOM 9 CA SER A 2 -20.310 12.380 2.141 1.00 0.00 C ATOM 10 C SER A 2 -21.838 12.457 2.137 1.00 0.00 C ATOM 11 O SER A 2 -22.437 13.045 3.036 1.00 0.00 O ATOM 12 CB SER A 2 -19.851 10.937 2.358 1.00 0.00 C ATOM 13 OG SER A 2 -20.079 10.499 3.695 1.00 0.00 O ATOM 0 H SER A 2 -19.487 12.789 4.024 1.00 0.00 H new ATOM 0 HA SER A 2 -19.933 12.710 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.379 10.281 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.789 10.856 2.126 1.00 0.00 H new ATOM 0 HG SER A 2 -19.774 9.573 3.792 1.00 0.00 H new ATOM 19 N SER A 3 -22.426 11.854 1.114 1.00 0.00 N ATOM 20 CA SER A 3 -23.873 11.846 0.980 1.00 0.00 C ATOM 21 C SER A 3 -24.410 13.278 1.022 1.00 0.00 C ATOM 22 O SER A 3 -23.675 14.211 1.342 1.00 0.00 O ATOM 23 CB SER A 3 -24.523 11.003 2.079 1.00 0.00 C ATOM 24 OG SER A 3 -24.670 11.732 3.294 1.00 0.00 O ATOM 0 H SER A 3 -21.926 11.367 0.370 1.00 0.00 H new ATOM 0 HA SER A 3 -24.125 11.398 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.501 10.659 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.918 10.115 2.260 1.00 0.00 H new ATOM 0 HG SER A 3 -23.830 12.190 3.504 1.00 0.00 H new ATOM 30 N GLY A 4 -25.687 13.407 0.694 1.00 0.00 N ATOM 31 CA GLY A 4 -26.331 14.710 0.691 1.00 0.00 C ATOM 32 C GLY A 4 -26.466 15.251 -0.734 1.00 0.00 C ATOM 33 O GLY A 4 -26.439 14.486 -1.697 1.00 0.00 O ATOM 0 H GLY A 4 -26.293 12.631 0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.317 14.634 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.751 15.408 1.295 1.00 0.00 H new ATOM 37 N SER A 5 -26.607 16.565 -0.823 1.00 0.00 N ATOM 38 CA SER A 5 -26.746 17.217 -2.114 1.00 0.00 C ATOM 39 C SER A 5 -25.670 16.709 -3.075 1.00 0.00 C ATOM 40 O SER A 5 -24.479 16.918 -2.847 1.00 0.00 O ATOM 41 CB SER A 5 -26.658 18.739 -1.974 1.00 0.00 C ATOM 42 OG SER A 5 -27.904 19.373 -2.248 1.00 0.00 O ATOM 0 H SER A 5 -26.628 17.196 -0.022 1.00 0.00 H new ATOM 0 HA SER A 5 -27.729 16.972 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.337 18.992 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.899 19.122 -2.655 1.00 0.00 H new ATOM 0 HG SER A 5 -27.807 20.343 -2.146 1.00 0.00 H new ATOM 48 N SER A 6 -26.128 16.052 -4.131 1.00 0.00 N ATOM 49 CA SER A 6 -25.219 15.512 -5.128 1.00 0.00 C ATOM 50 C SER A 6 -24.687 16.639 -6.016 1.00 0.00 C ATOM 51 O SER A 6 -25.117 16.788 -7.159 1.00 0.00 O ATOM 52 CB SER A 6 -25.908 14.444 -5.980 1.00 0.00 C ATOM 53 OG SER A 6 -27.079 14.946 -6.620 1.00 0.00 O ATOM 0 H SER A 6 -27.116 15.882 -4.318 1.00 0.00 H new ATOM 0 HA SER A 6 -24.383 15.041 -4.610 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.212 14.077 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.174 13.594 -5.351 1.00 0.00 H new ATOM 0 HG SER A 6 -26.863 15.777 -7.093 1.00 0.00 H new ATOM 59 N GLY A 7 -23.761 17.403 -5.456 1.00 0.00 N ATOM 60 CA GLY A 7 -23.166 18.511 -6.183 1.00 0.00 C ATOM 61 C GLY A 7 -22.172 19.273 -5.304 1.00 0.00 C ATOM 62 O GLY A 7 -21.654 18.727 -4.330 1.00 0.00 O ATOM 0 H GLY A 7 -23.408 17.277 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.658 18.137 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.949 19.189 -6.525 1.00 0.00 H new ATOM 66 N GLN A 8 -21.934 20.521 -5.679 1.00 0.00 N ATOM 67 CA GLN A 8 -21.011 21.363 -4.937 1.00 0.00 C ATOM 68 C GLN A 8 -19.567 21.039 -5.326 1.00 0.00 C ATOM 69 O GLN A 8 -18.797 21.934 -5.668 1.00 0.00 O ATOM 70 CB GLN A 8 -21.221 21.210 -3.430 1.00 0.00 C ATOM 71 CG GLN A 8 -21.416 22.572 -2.762 1.00 0.00 C ATOM 72 CD GLN A 8 -20.630 22.660 -1.452 1.00 0.00 C ATOM 73 OE1 GLN A 8 -19.621 22.001 -1.259 1.00 0.00 O ATOM 74 NE2 GLN A 8 -21.146 23.507 -0.567 1.00 0.00 N ATOM 0 H GLN A 8 -22.365 20.970 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.211 22.403 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -22.091 20.581 -3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.362 20.705 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -21.091 23.362 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -22.476 22.736 -2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -21.994 24.027 -0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -20.694 23.637 0.338 1.00 0.00 H new ATOM 83 N ASP A 9 -19.245 19.755 -5.261 1.00 0.00 N ATOM 84 CA ASP A 9 -17.907 19.302 -5.602 1.00 0.00 C ATOM 85 C ASP A 9 -16.974 19.539 -4.412 1.00 0.00 C ATOM 86 O ASP A 9 -17.068 20.564 -3.740 1.00 0.00 O ATOM 87 CB ASP A 9 -17.352 20.075 -6.799 1.00 0.00 C ATOM 88 CG ASP A 9 -16.333 19.310 -7.647 1.00 0.00 C ATOM 89 OD1 ASP A 9 -16.583 18.109 -7.887 1.00 0.00 O ATOM 90 OD2 ASP A 9 -15.328 19.944 -8.035 1.00 0.00 O ATOM 0 H ASP A 9 -19.887 19.015 -4.978 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.963 18.243 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.184 20.372 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.886 20.991 -6.436 1.00 0.00 H new ATOM 95 N SER A 10 -16.095 18.573 -4.189 1.00 0.00 N ATOM 96 CA SER A 10 -15.146 18.664 -3.093 1.00 0.00 C ATOM 97 C SER A 10 -13.721 18.466 -3.616 1.00 0.00 C ATOM 98 O SER A 10 -13.528 18.025 -4.747 1.00 0.00 O ATOM 99 CB SER A 10 -15.460 17.635 -2.005 1.00 0.00 C ATOM 100 OG SER A 10 -16.409 16.667 -2.445 1.00 0.00 O ATOM 0 H SER A 10 -16.020 17.724 -4.749 1.00 0.00 H new ATOM 0 HA SER A 10 -15.229 19.657 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.541 17.132 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.846 18.146 -1.123 1.00 0.00 H new ATOM 0 HG SER A 10 -16.582 16.027 -1.723 1.00 0.00 H new ATOM 106 N ASP A 11 -12.761 18.802 -2.767 1.00 0.00 N ATOM 107 CA ASP A 11 -11.361 18.667 -3.129 1.00 0.00 C ATOM 108 C ASP A 11 -10.662 17.757 -2.116 1.00 0.00 C ATOM 109 O ASP A 11 -10.356 16.605 -2.419 1.00 0.00 O ATOM 110 CB ASP A 11 -10.654 20.023 -3.112 1.00 0.00 C ATOM 111 CG ASP A 11 -11.271 21.063 -2.175 1.00 0.00 C ATOM 112 OD1 ASP A 11 -12.420 21.469 -2.455 1.00 0.00 O ATOM 113 OD2 ASP A 11 -10.581 21.428 -1.199 1.00 0.00 O ATOM 0 H ASP A 11 -12.926 19.168 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.312 18.247 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.614 19.870 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.649 20.426 -4.125 1.00 0.00 H new ATOM 118 N SER A 12 -10.431 18.309 -0.934 1.00 0.00 N ATOM 119 CA SER A 12 -9.774 17.562 0.125 1.00 0.00 C ATOM 120 C SER A 12 -10.773 16.618 0.797 1.00 0.00 C ATOM 121 O SER A 12 -10.400 15.542 1.261 1.00 0.00 O ATOM 122 CB SER A 12 -9.155 18.503 1.160 1.00 0.00 C ATOM 123 OG SER A 12 -9.346 19.873 0.819 1.00 0.00 O ATOM 0 H SER A 12 -10.687 19.265 -0.686 1.00 0.00 H new ATOM 0 HA SER A 12 -8.970 16.974 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.597 18.308 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.088 18.296 1.245 1.00 0.00 H new ATOM 0 HG SER A 12 -8.938 20.441 1.505 1.00 0.00 H new ATOM 129 N THR A 13 -12.024 17.056 0.827 1.00 0.00 N ATOM 130 CA THR A 13 -13.079 16.263 1.434 1.00 0.00 C ATOM 131 C THR A 13 -13.111 14.861 0.824 1.00 0.00 C ATOM 132 O THR A 13 -13.005 13.866 1.539 1.00 0.00 O ATOM 133 CB THR A 13 -14.396 17.026 1.273 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.367 17.992 2.320 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.617 16.162 1.596 1.00 0.00 C ATOM 0 H THR A 13 -12.330 17.949 0.441 1.00 0.00 H new ATOM 0 HA THR A 13 -12.900 16.116 2.499 1.00 0.00 H new ATOM 0 HB THR A 13 -14.477 17.400 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.184 18.533 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.525 16.752 1.466 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.643 15.303 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.555 15.815 2.627 1.00 0.00 H new ATOM 143 N ALA A 14 -13.259 14.826 -0.493 1.00 0.00 N ATOM 144 CA ALA A 14 -13.306 13.562 -1.207 1.00 0.00 C ATOM 145 C ALA A 14 -12.179 12.656 -0.707 1.00 0.00 C ATOM 146 O ALA A 14 -12.338 11.437 -0.647 1.00 0.00 O ATOM 147 CB ALA A 14 -13.220 13.823 -2.713 1.00 0.00 C ATOM 0 H ALA A 14 -13.348 15.653 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.249 13.049 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.255 12.875 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.059 14.446 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.285 14.334 -2.941 1.00 0.00 H new ATOM 153 N ALA A 15 -11.066 13.285 -0.362 1.00 0.00 N ATOM 154 CA ALA A 15 -9.913 12.551 0.131 1.00 0.00 C ATOM 155 C ALA A 15 -10.210 12.028 1.538 1.00 0.00 C ATOM 156 O ALA A 15 -10.090 10.832 1.798 1.00 0.00 O ATOM 157 CB ALA A 15 -8.678 13.453 0.092 1.00 0.00 C ATOM 0 H ALA A 15 -10.938 14.296 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.707 11.689 -0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.813 12.902 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.493 13.773 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.846 14.328 0.720 1.00 0.00 H new ATOM 163 N VAL A 16 -10.591 12.951 2.409 1.00 0.00 N ATOM 164 CA VAL A 16 -10.906 12.599 3.783 1.00 0.00 C ATOM 165 C VAL A 16 -11.791 11.351 3.795 1.00 0.00 C ATOM 166 O VAL A 16 -11.634 10.482 4.651 1.00 0.00 O ATOM 167 CB VAL A 16 -11.545 13.792 4.496 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.760 13.492 5.981 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.706 15.057 4.307 1.00 0.00 C ATOM 0 H VAL A 16 -10.689 13.942 2.190 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.997 12.358 4.333 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.522 13.968 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.215 14.356 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.417 12.629 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.801 13.277 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.182 15.890 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.709 14.897 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.628 15.286 3.244 1.00 0.00 H new ATOM 179 N ALA A 17 -12.702 11.301 2.834 1.00 0.00 N ATOM 180 CA ALA A 17 -13.613 10.174 2.723 1.00 0.00 C ATOM 181 C ALA A 17 -12.862 8.973 2.146 1.00 0.00 C ATOM 182 O ALA A 17 -12.779 7.924 2.783 1.00 0.00 O ATOM 183 CB ALA A 17 -14.818 10.574 1.870 1.00 0.00 C ATOM 0 H ALA A 17 -12.829 12.023 2.125 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.990 9.886 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.501 9.729 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.333 11.412 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.479 10.866 0.876 1.00 0.00 H new ATOM 189 N VAL A 18 -12.334 9.166 0.946 1.00 0.00 N ATOM 190 CA VAL A 18 -11.593 8.111 0.276 1.00 0.00 C ATOM 191 C VAL A 18 -10.558 7.529 1.240 1.00 0.00 C ATOM 192 O VAL A 18 -10.221 6.349 1.156 1.00 0.00 O ATOM 193 CB VAL A 18 -10.972 8.648 -1.016 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.532 9.109 -0.781 1.00 0.00 C ATOM 195 CG2 VAL A 18 -11.038 7.603 -2.131 1.00 0.00 C ATOM 0 H VAL A 18 -12.405 10.037 0.421 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.260 7.299 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.554 9.514 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.114 9.486 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.521 9.901 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.934 8.269 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.590 8.010 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.492 6.710 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.079 7.343 -2.325 1.00 0.00 H new ATOM 205 N LEU A 19 -10.083 8.383 2.134 1.00 0.00 N ATOM 206 CA LEU A 19 -9.093 7.968 3.114 1.00 0.00 C ATOM 207 C LEU A 19 -9.783 7.173 4.224 1.00 0.00 C ATOM 208 O LEU A 19 -9.270 6.147 4.669 1.00 0.00 O ATOM 209 CB LEU A 19 -8.303 9.176 3.622 1.00 0.00 C ATOM 210 CG LEU A 19 -7.411 9.875 2.594 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.853 11.185 3.153 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.301 8.941 2.106 1.00 0.00 C ATOM 0 H LEU A 19 -10.365 9.361 2.201 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.358 7.305 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.009 9.906 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.679 8.853 4.455 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.022 10.129 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.223 11.662 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.677 11.851 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.262 10.977 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.681 9.462 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.685 8.634 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.745 8.060 1.642 1.00 0.00 H new ATOM 224 N LYS A 20 -10.936 7.677 4.640 1.00 0.00 N ATOM 225 CA LYS A 20 -11.701 7.027 5.690 1.00 0.00 C ATOM 226 C LYS A 20 -12.059 5.606 5.249 1.00 0.00 C ATOM 227 O LYS A 20 -11.928 4.660 6.024 1.00 0.00 O ATOM 228 CB LYS A 20 -12.915 7.876 6.073 1.00 0.00 C ATOM 229 CG LYS A 20 -13.151 7.846 7.584 1.00 0.00 C ATOM 230 CD LYS A 20 -12.867 9.213 8.210 1.00 0.00 C ATOM 231 CE LYS A 20 -12.175 9.061 9.567 1.00 0.00 C ATOM 232 NZ LYS A 20 -12.747 10.009 10.549 1.00 0.00 N ATOM 0 H LYS A 20 -11.359 8.528 4.269 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.104 6.939 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.762 8.904 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.800 7.505 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.181 7.555 7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.510 7.092 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.238 9.800 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.801 9.762 8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.291 8.039 9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.105 9.241 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.267 9.893 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.614 10.983 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.763 9.818 10.665 1.00 0.00 H new ATOM 246 N ARG A 21 -12.503 5.501 4.005 1.00 0.00 N ATOM 247 CA ARG A 21 -12.881 4.211 3.452 1.00 0.00 C ATOM 248 C ARG A 21 -11.660 3.293 3.364 1.00 0.00 C ATOM 249 O ARG A 21 -11.697 2.159 3.837 1.00 0.00 O ATOM 250 CB ARG A 21 -13.494 4.368 2.059 1.00 0.00 C ATOM 251 CG ARG A 21 -14.991 4.670 2.150 1.00 0.00 C ATOM 252 CD ARG A 21 -15.773 3.436 2.607 1.00 0.00 C ATOM 253 NE ARG A 21 -17.087 3.843 3.151 1.00 0.00 N ATOM 254 CZ ARG A 21 -18.092 2.993 3.401 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.939 1.684 3.157 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.251 3.451 3.894 1.00 0.00 N ATOM 0 H ARG A 21 -12.609 6.288 3.364 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.624 3.770 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.989 5.172 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.338 3.455 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.158 5.490 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.359 4.999 1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.913 2.753 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.207 2.897 3.367 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.237 4.832 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.057 1.335 2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.704 1.037 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.368 4.447 4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.016 2.803 4.084 1.00 0.00 H new ATOM 270 N ALA A 22 -10.607 3.819 2.755 1.00 0.00 N ATOM 271 CA ALA A 22 -9.377 3.061 2.599 1.00 0.00 C ATOM 272 C ALA A 22 -9.060 2.336 3.909 1.00 0.00 C ATOM 273 O ALA A 22 -8.924 1.114 3.929 1.00 0.00 O ATOM 274 CB ALA A 22 -8.250 4.000 2.164 1.00 0.00 C ATOM 0 H ALA A 22 -10.580 4.761 2.364 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.488 2.304 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.327 3.431 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.511 4.467 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.107 4.772 2.920 1.00 0.00 H new ATOM 280 N VAL A 23 -8.952 3.121 4.971 1.00 0.00 N ATOM 281 CA VAL A 23 -8.654 2.570 6.281 1.00 0.00 C ATOM 282 C VAL A 23 -9.502 1.317 6.508 1.00 0.00 C ATOM 283 O VAL A 23 -8.978 0.264 6.868 1.00 0.00 O ATOM 284 CB VAL A 23 -8.862 3.637 7.358 1.00 0.00 C ATOM 285 CG1 VAL A 23 -8.820 3.019 8.757 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.833 4.760 7.223 1.00 0.00 C ATOM 0 H VAL A 23 -9.066 4.134 4.950 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.608 2.269 6.339 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.851 4.071 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.970 3.799 9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.608 2.272 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.851 2.546 8.917 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.003 5.505 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.829 4.348 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.932 5.228 6.244 1.00 0.00 H new ATOM 296 N GLU A 24 -10.800 1.473 6.289 1.00 0.00 N ATOM 297 CA GLU A 24 -11.726 0.367 6.465 1.00 0.00 C ATOM 298 C GLU A 24 -11.259 -0.850 5.665 1.00 0.00 C ATOM 299 O GLU A 24 -10.980 -1.903 6.236 1.00 0.00 O ATOM 300 CB GLU A 24 -13.147 0.773 6.066 1.00 0.00 C ATOM 301 CG GLU A 24 -13.625 1.973 6.886 1.00 0.00 C ATOM 302 CD GLU A 24 -15.152 2.071 6.875 1.00 0.00 C ATOM 303 OE1 GLU A 24 -15.775 1.303 7.639 1.00 0.00 O ATOM 304 OE2 GLU A 24 -15.661 2.912 6.103 1.00 0.00 O ATOM 0 H GLU A 24 -11.232 2.348 5.992 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.743 0.098 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.174 1.019 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.825 -0.067 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.270 1.881 7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.195 2.889 6.481 1.00 0.00 H new ATOM 311 N LEU A 25 -11.188 -0.665 4.355 1.00 0.00 N ATOM 312 CA LEU A 25 -10.759 -1.735 3.470 1.00 0.00 C ATOM 313 C LEU A 25 -9.465 -2.348 4.009 1.00 0.00 C ATOM 314 O LEU A 25 -9.310 -3.569 4.021 1.00 0.00 O ATOM 315 CB LEU A 25 -10.646 -1.228 2.031 1.00 0.00 C ATOM 316 CG LEU A 25 -11.966 -0.896 1.332 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.734 0.021 0.129 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.717 -2.171 0.944 1.00 0.00 C ATOM 0 H LEU A 25 -11.420 0.210 3.885 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.504 -2.530 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.022 -0.334 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.125 -1.982 1.441 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.597 -0.352 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.688 0.241 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.273 0.950 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.076 -0.475 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.651 -1.907 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.102 -2.763 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.933 -2.753 1.840 1.00 0.00 H new ATOM 330 N ASP A 26 -8.568 -1.474 4.442 1.00 0.00 N ATOM 331 CA ASP A 26 -7.293 -1.914 4.981 1.00 0.00 C ATOM 332 C ASP A 26 -7.540 -2.829 6.182 1.00 0.00 C ATOM 333 O ASP A 26 -6.786 -3.774 6.412 1.00 0.00 O ATOM 334 CB ASP A 26 -6.456 -0.725 5.457 1.00 0.00 C ATOM 335 CG ASP A 26 -5.026 -0.682 4.915 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.875 -0.909 3.696 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.117 -0.422 5.733 1.00 0.00 O ATOM 0 H ASP A 26 -8.700 -0.463 4.430 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.757 -2.439 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.965 0.196 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.415 -0.742 6.546 1.00 0.00 H new ATOM 342 N ALA A 27 -8.598 -2.518 6.915 1.00 0.00 N ATOM 343 CA ALA A 27 -8.954 -3.301 8.086 1.00 0.00 C ATOM 344 C ALA A 27 -9.711 -4.555 7.645 1.00 0.00 C ATOM 345 O ALA A 27 -9.713 -5.563 8.350 1.00 0.00 O ATOM 346 CB ALA A 27 -9.770 -2.436 9.050 1.00 0.00 C ATOM 0 H ALA A 27 -9.221 -1.734 6.721 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.059 -3.626 8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.037 -3.023 9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.177 -1.574 9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.678 -2.094 8.553 1.00 0.00 H new ATOM 352 N GLU A 28 -10.336 -4.452 6.482 1.00 0.00 N ATOM 353 CA GLU A 28 -11.094 -5.566 5.938 1.00 0.00 C ATOM 354 C GLU A 28 -10.167 -6.524 5.187 1.00 0.00 C ATOM 355 O GLU A 28 -10.616 -7.536 4.653 1.00 0.00 O ATOM 356 CB GLU A 28 -12.222 -5.070 5.031 1.00 0.00 C ATOM 357 CG GLU A 28 -13.241 -4.248 5.822 1.00 0.00 C ATOM 358 CD GLU A 28 -14.516 -5.055 6.079 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.880 -5.842 5.179 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.097 -4.865 7.169 1.00 0.00 O ATOM 0 H GLU A 28 -10.333 -3.614 5.901 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.550 -6.109 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.806 -4.463 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.719 -5.921 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.805 -3.938 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.486 -3.339 5.272 1.00 0.00 H new ATOM 367 N SER A 29 -8.891 -6.169 5.171 1.00 0.00 N ATOM 368 CA SER A 29 -7.896 -6.985 4.494 1.00 0.00 C ATOM 369 C SER A 29 -7.957 -6.739 2.985 1.00 0.00 C ATOM 370 O SER A 29 -7.230 -7.371 2.220 1.00 0.00 O ATOM 371 CB SER A 29 -8.102 -8.470 4.799 1.00 0.00 C ATOM 372 OG SER A 29 -8.953 -9.098 3.844 1.00 0.00 O ATOM 0 H SER A 29 -8.523 -5.328 5.615 1.00 0.00 H new ATOM 0 HA SER A 29 -6.911 -6.700 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.136 -8.975 4.811 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.532 -8.579 5.795 1.00 0.00 H new ATOM 0 HG SER A 29 -9.868 -8.763 3.951 1.00 0.00 H new ATOM 378 N ARG A 30 -8.831 -5.820 2.602 1.00 0.00 N ATOM 379 CA ARG A 30 -8.996 -5.483 1.198 1.00 0.00 C ATOM 380 C ARG A 30 -7.997 -4.399 0.792 1.00 0.00 C ATOM 381 O ARG A 30 -8.391 -3.297 0.413 1.00 0.00 O ATOM 382 CB ARG A 30 -10.417 -4.991 0.913 1.00 0.00 C ATOM 383 CG ARG A 30 -11.457 -5.964 1.473 1.00 0.00 C ATOM 384 CD ARG A 30 -12.877 -5.479 1.175 1.00 0.00 C ATOM 385 NE ARG A 30 -13.606 -6.500 0.390 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.107 -7.629 0.908 1.00 0.00 C ATOM 387 NH1 ARG A 30 -13.961 -7.890 2.214 1.00 0.00 N ATOM 388 NH2 ARG A 30 -14.755 -8.499 0.120 1.00 0.00 N ATOM 0 H ARG A 30 -9.432 -5.298 3.239 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.813 -6.386 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.560 -4.005 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.559 -4.881 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.307 -6.952 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.322 -6.066 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.405 -5.280 2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.841 -4.540 0.622 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.735 -6.334 -0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.468 -7.229 2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.343 -8.750 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.867 -8.301 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.136 -9.359 0.515 1.00 0.00 H new ATOM 402 N TYR A 31 -6.722 -4.748 0.884 1.00 0.00 N ATOM 403 CA TYR A 31 -5.663 -3.818 0.531 1.00 0.00 C ATOM 404 C TYR A 31 -5.773 -3.395 -0.935 1.00 0.00 C ATOM 405 O TYR A 31 -5.465 -2.255 -1.280 1.00 0.00 O ATOM 406 CB TYR A 31 -4.350 -4.578 0.733 1.00 0.00 C ATOM 407 CG TYR A 31 -4.084 -4.984 2.184 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.189 -4.049 3.193 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.738 -6.286 2.483 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.938 -4.431 4.558 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.487 -6.669 3.848 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.599 -5.722 4.819 1.00 0.00 C ATOM 413 OH TYR A 31 -3.362 -6.084 6.108 1.00 0.00 O ATOM 0 H TYR A 31 -6.398 -5.663 1.198 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.723 -2.917 1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.361 -5.474 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.525 -3.957 0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.460 -3.030 2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.655 -7.018 1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.017 -3.709 5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.216 -7.685 4.096 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.132 -7.036 6.143 1.00 0.00 H new ATOM 423 N GLN A 32 -6.212 -4.335 -1.759 1.00 0.00 N ATOM 424 CA GLN A 32 -6.366 -4.073 -3.180 1.00 0.00 C ATOM 425 C GLN A 32 -7.339 -2.914 -3.403 1.00 0.00 C ATOM 426 O GLN A 32 -7.340 -2.296 -4.467 1.00 0.00 O ATOM 427 CB GLN A 32 -6.828 -5.329 -3.922 1.00 0.00 C ATOM 428 CG GLN A 32 -5.814 -5.739 -4.991 1.00 0.00 C ATOM 429 CD GLN A 32 -6.232 -5.226 -6.370 1.00 0.00 C ATOM 430 OE1 GLN A 32 -6.839 -5.926 -7.164 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.876 -3.967 -6.609 1.00 0.00 N ATOM 0 H GLN A 32 -6.466 -5.280 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.395 -3.789 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.964 -6.145 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.797 -5.146 -4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.831 -5.344 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.725 -6.825 -5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.369 -3.437 -5.900 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.110 -3.531 -7.501 1.00 0.00 H new ATOM 440 N GLN A 33 -8.144 -2.654 -2.384 1.00 0.00 N ATOM 441 CA GLN A 33 -9.120 -1.580 -2.456 1.00 0.00 C ATOM 442 C GLN A 33 -8.664 -0.390 -1.609 1.00 0.00 C ATOM 443 O GLN A 33 -8.877 0.761 -1.985 1.00 0.00 O ATOM 444 CB GLN A 33 -10.503 -2.066 -2.018 1.00 0.00 C ATOM 445 CG GLN A 33 -11.002 -3.193 -2.926 1.00 0.00 C ATOM 446 CD GLN A 33 -12.529 -3.192 -3.013 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.216 -3.938 -2.334 1.00 0.00 O ATOM 448 NE2 GLN A 33 -13.021 -2.315 -3.883 1.00 0.00 N ATOM 0 H GLN A 33 -8.141 -3.169 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.197 -1.254 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.459 -2.417 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.209 -1.236 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.577 -3.076 -3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.657 -4.153 -2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.390 -1.720 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.030 -2.237 -4.014 1.00 0.00 H new ATOM 457 N ALA A 34 -8.044 -0.710 -0.482 1.00 0.00 N ATOM 458 CA ALA A 34 -7.556 0.319 0.420 1.00 0.00 C ATOM 459 C ALA A 34 -6.380 1.047 -0.232 1.00 0.00 C ATOM 460 O ALA A 34 -6.041 2.163 0.160 1.00 0.00 O ATOM 461 CB ALA A 34 -7.178 -0.316 1.760 1.00 0.00 C ATOM 0 H ALA A 34 -7.869 -1.666 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.333 1.058 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.812 0.455 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.055 -0.795 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.398 -1.061 1.602 1.00 0.00 H new ATOM 467 N LEU A 35 -5.788 0.387 -1.217 1.00 0.00 N ATOM 468 CA LEU A 35 -4.657 0.958 -1.927 1.00 0.00 C ATOM 469 C LEU A 35 -5.138 2.130 -2.785 1.00 0.00 C ATOM 470 O LEU A 35 -4.749 3.274 -2.553 1.00 0.00 O ATOM 471 CB LEU A 35 -3.921 -0.124 -2.721 1.00 0.00 C ATOM 472 CG LEU A 35 -2.559 0.273 -3.292 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.713 0.971 -4.645 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.773 1.125 -2.294 1.00 0.00 C ATOM 0 H LEU A 35 -6.071 -0.538 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.927 1.356 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.783 -0.991 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.560 -0.440 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.983 -0.636 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.729 1.243 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.203 0.298 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.316 1.871 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.809 1.394 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.334 2.032 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.615 0.558 -1.377 1.00 0.00 H new ATOM 486 N VAL A 36 -5.976 1.805 -3.758 1.00 0.00 N ATOM 487 CA VAL A 36 -6.514 2.817 -4.652 1.00 0.00 C ATOM 488 C VAL A 36 -7.091 3.967 -3.824 1.00 0.00 C ATOM 489 O VAL A 36 -6.794 5.132 -4.082 1.00 0.00 O ATOM 490 CB VAL A 36 -7.538 2.188 -5.598 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.082 0.802 -6.058 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.920 2.121 -4.944 1.00 0.00 C ATOM 0 H VAL A 36 -6.296 0.855 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.725 3.232 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.614 2.825 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.828 0.378 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.130 0.887 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.962 0.152 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.629 1.670 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.865 1.518 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.251 3.128 -4.690 1.00 0.00 H new ATOM 502 N CYS A 37 -7.905 3.599 -2.846 1.00 0.00 N ATOM 503 CA CYS A 37 -8.527 4.586 -1.979 1.00 0.00 C ATOM 504 C CYS A 37 -7.431 5.500 -1.429 1.00 0.00 C ATOM 505 O CYS A 37 -7.470 6.713 -1.630 1.00 0.00 O ATOM 506 CB CYS A 37 -9.335 3.926 -0.860 1.00 0.00 C ATOM 507 SG CYS A 37 -10.690 2.923 -1.574 1.00 0.00 S ATOM 0 H CYS A 37 -8.148 2.631 -2.634 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.240 5.179 -2.551 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.685 3.295 -0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.746 4.689 -0.198 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.214 1.790 -1.999 1.00 0.00 H new ATOM 513 N TYR A 38 -6.479 4.883 -0.744 1.00 0.00 N ATOM 514 CA TYR A 38 -5.374 5.627 -0.163 1.00 0.00 C ATOM 515 C TYR A 38 -4.732 6.553 -1.198 1.00 0.00 C ATOM 516 O TYR A 38 -4.380 7.689 -0.885 1.00 0.00 O ATOM 517 CB TYR A 38 -4.346 4.581 0.275 1.00 0.00 C ATOM 518 CG TYR A 38 -4.527 4.095 1.714 1.00 0.00 C ATOM 519 CD1 TYR A 38 -4.843 4.995 2.712 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.374 2.757 2.015 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.014 4.537 4.066 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.544 2.299 3.370 1.00 0.00 C ATOM 523 CZ TYR A 38 -4.856 3.212 4.328 1.00 0.00 C ATOM 524 OH TYR A 38 -5.017 2.780 5.608 1.00 0.00 O ATOM 0 H TYR A 38 -6.450 3.877 -0.578 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.721 6.245 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.405 3.725 -0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.346 5.002 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.962 6.042 2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.127 2.053 1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.262 5.230 4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.426 1.255 3.619 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.663 1.870 5.693 1.00 0.00 H new ATOM 534 N GLN A 39 -4.600 6.033 -2.409 1.00 0.00 N ATOM 535 CA GLN A 39 -4.006 6.800 -3.492 1.00 0.00 C ATOM 536 C GLN A 39 -4.945 7.930 -3.918 1.00 0.00 C ATOM 537 O GLN A 39 -4.501 9.047 -4.176 1.00 0.00 O ATOM 538 CB GLN A 39 -3.661 5.897 -4.677 1.00 0.00 C ATOM 539 CG GLN A 39 -2.752 4.745 -4.243 1.00 0.00 C ATOM 540 CD GLN A 39 -1.313 4.976 -4.709 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.989 4.877 -5.881 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.471 5.288 -3.728 1.00 0.00 N ATOM 0 H GLN A 39 -4.894 5.090 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.077 7.242 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.577 5.498 -5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.167 6.482 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.775 4.648 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.125 3.807 -4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.809 5.354 -2.768 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.512 5.461 -3.936 1.00 0.00 H new ATOM 551 N GLU A 40 -6.227 7.600 -3.980 1.00 0.00 N ATOM 552 CA GLU A 40 -7.233 8.573 -4.371 1.00 0.00 C ATOM 553 C GLU A 40 -7.144 9.815 -3.481 1.00 0.00 C ATOM 554 O GLU A 40 -7.199 10.941 -3.973 1.00 0.00 O ATOM 555 CB GLU A 40 -8.635 7.963 -4.322 1.00 0.00 C ATOM 556 CG GLU A 40 -8.727 6.729 -5.222 1.00 0.00 C ATOM 557 CD GLU A 40 -9.734 6.950 -6.353 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.839 7.443 -6.041 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.375 6.620 -7.505 1.00 0.00 O ATOM 0 H GLU A 40 -6.592 6.672 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.039 8.873 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.881 7.689 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.369 8.704 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.746 6.507 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.024 5.864 -4.630 1.00 0.00 H new ATOM 566 N GLY A 41 -7.009 9.567 -2.186 1.00 0.00 N ATOM 567 CA GLY A 41 -6.913 10.651 -1.223 1.00 0.00 C ATOM 568 C GLY A 41 -5.578 11.387 -1.357 1.00 0.00 C ATOM 569 O GLY A 41 -5.540 12.616 -1.354 1.00 0.00 O ATOM 0 H GLY A 41 -6.964 8.632 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.735 11.351 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.014 10.255 -0.213 1.00 0.00 H new ATOM 573 N ILE A 42 -4.516 10.603 -1.473 1.00 0.00 N ATOM 574 CA ILE A 42 -3.183 11.165 -1.608 1.00 0.00 C ATOM 575 C ILE A 42 -3.160 12.134 -2.792 1.00 0.00 C ATOM 576 O ILE A 42 -2.857 13.315 -2.626 1.00 0.00 O ATOM 577 CB ILE A 42 -2.139 10.050 -1.706 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.868 9.430 -0.334 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.857 10.557 -2.370 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.702 7.913 -0.440 1.00 0.00 C ATOM 0 H ILE A 42 -4.552 9.584 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.920 11.740 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.540 9.261 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.967 9.869 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.690 9.663 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.132 9.746 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.084 10.913 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.441 11.375 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.510 7.498 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.613 7.475 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.864 7.684 -1.098 1.00 0.00 H new ATOM 592 N ASP A 43 -3.485 11.600 -3.960 1.00 0.00 N ATOM 593 CA ASP A 43 -3.506 12.403 -5.170 1.00 0.00 C ATOM 594 C ASP A 43 -4.336 13.665 -4.926 1.00 0.00 C ATOM 595 O ASP A 43 -3.998 14.740 -5.419 1.00 0.00 O ATOM 596 CB ASP A 43 -4.144 11.635 -6.330 1.00 0.00 C ATOM 597 CG ASP A 43 -3.251 11.460 -7.559 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.370 10.574 -7.499 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.468 12.215 -8.531 1.00 0.00 O ATOM 0 H ASP A 43 -3.736 10.620 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.476 12.653 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.442 10.649 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.054 12.153 -6.632 1.00 0.00 H new ATOM 604 N MET A 44 -5.406 13.492 -4.164 1.00 0.00 N ATOM 605 CA MET A 44 -6.287 14.604 -3.848 1.00 0.00 C ATOM 606 C MET A 44 -5.599 15.598 -2.909 1.00 0.00 C ATOM 607 O MET A 44 -5.640 16.806 -3.141 1.00 0.00 O ATOM 608 CB MET A 44 -7.561 14.075 -3.187 1.00 0.00 C ATOM 609 CG MET A 44 -8.594 13.665 -4.238 1.00 0.00 C ATOM 610 SD MET A 44 -10.181 13.402 -3.464 1.00 0.00 S ATOM 611 CE MET A 44 -10.122 11.633 -3.231 1.00 0.00 C ATOM 0 H MET A 44 -5.683 12.599 -3.756 1.00 0.00 H new ATOM 0 HA MET A 44 -6.536 15.121 -4.775 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.319 13.220 -2.556 1.00 0.00 H new ATOM 0 HB3 MET A 44 -7.983 14.841 -2.537 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.676 14.439 -5.001 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.271 12.754 -4.742 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.065 11.291 -2.804 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.960 11.145 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.305 11.382 -2.555 1.00 0.00 H new ATOM 621 N LEU A 45 -4.984 15.053 -1.870 1.00 0.00 N ATOM 622 CA LEU A 45 -4.289 15.877 -0.895 1.00 0.00 C ATOM 623 C LEU A 45 -3.132 16.605 -1.582 1.00 0.00 C ATOM 624 O LEU A 45 -2.978 17.816 -1.429 1.00 0.00 O ATOM 625 CB LEU A 45 -3.859 15.036 0.308 1.00 0.00 C ATOM 626 CG LEU A 45 -4.990 14.428 1.140 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.618 13.028 1.632 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.381 15.355 2.293 1.00 0.00 C ATOM 0 H LEU A 45 -4.952 14.051 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.956 16.642 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.222 14.227 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.248 15.659 0.962 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.866 14.322 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.439 12.619 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.427 12.380 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.722 13.086 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.187 14.900 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.518 15.515 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.717 16.312 1.893 1.00 0.00 H new ATOM 640 N LEU A 46 -2.349 15.836 -2.324 1.00 0.00 N ATOM 641 CA LEU A 46 -1.210 16.393 -3.035 1.00 0.00 C ATOM 642 C LEU A 46 -1.589 17.762 -3.603 1.00 0.00 C ATOM 643 O LEU A 46 -0.926 18.760 -3.323 1.00 0.00 O ATOM 644 CB LEU A 46 -0.704 15.408 -4.091 1.00 0.00 C ATOM 645 CG LEU A 46 0.505 14.560 -3.691 1.00 0.00 C ATOM 646 CD1 LEU A 46 1.044 13.775 -4.888 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.587 15.421 -3.036 1.00 0.00 C ATOM 0 H LEU A 46 -2.480 14.832 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.375 16.550 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.522 14.738 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.448 15.969 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 46 0.180 13.832 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.903 13.181 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.266 13.115 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.348 14.469 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.435 14.793 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.915 16.188 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.183 15.896 -2.142 1.00 0.00 H new ATOM 659 N GLN A 47 -2.654 17.767 -4.391 1.00 0.00 N ATOM 660 CA GLN A 47 -3.129 18.997 -5.001 1.00 0.00 C ATOM 661 C GLN A 47 -3.479 20.024 -3.922 1.00 0.00 C ATOM 662 O GLN A 47 -3.196 21.211 -4.074 1.00 0.00 O ATOM 663 CB GLN A 47 -4.328 18.730 -5.913 1.00 0.00 C ATOM 664 CG GLN A 47 -3.990 17.675 -6.968 1.00 0.00 C ATOM 665 CD GLN A 47 -4.402 18.144 -8.365 1.00 0.00 C ATOM 666 OE1 GLN A 47 -4.046 19.220 -8.817 1.00 0.00 O ATOM 667 NE2 GLN A 47 -5.172 17.280 -9.021 1.00 0.00 N ATOM 0 H GLN A 47 -3.202 16.938 -4.621 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.329 19.406 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.176 18.394 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.630 19.656 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.920 17.468 -6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.499 16.741 -6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.433 16.396 -8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.501 17.501 -9.961 1.00 0.00 H new ATOM 676 N VAL A 48 -4.089 19.529 -2.855 1.00 0.00 N ATOM 677 CA VAL A 48 -4.481 20.388 -1.751 1.00 0.00 C ATOM 678 C VAL A 48 -3.235 21.052 -1.161 1.00 0.00 C ATOM 679 O VAL A 48 -3.211 22.265 -0.958 1.00 0.00 O ATOM 680 CB VAL A 48 -5.277 19.586 -0.720 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.611 20.443 0.503 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.545 18.999 -1.342 1.00 0.00 C ATOM 0 H VAL A 48 -4.321 18.543 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.139 21.184 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.653 18.757 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.177 19.849 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.688 20.790 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.206 21.302 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.092 18.434 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.174 19.807 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.274 18.338 -2.165 1.00 0.00 H new ATOM 692 N LEU A 49 -2.231 20.228 -0.901 1.00 0.00 N ATOM 693 CA LEU A 49 -0.985 20.719 -0.338 1.00 0.00 C ATOM 694 C LEU A 49 -0.438 21.841 -1.223 1.00 0.00 C ATOM 695 O LEU A 49 -0.039 22.892 -0.723 1.00 0.00 O ATOM 696 CB LEU A 49 -0.001 19.567 -0.127 1.00 0.00 C ATOM 697 CG LEU A 49 0.879 19.657 1.122 1.00 0.00 C ATOM 698 CD1 LEU A 49 2.013 18.632 1.068 1.00 0.00 C ATOM 699 CD2 LEU A 49 1.402 21.081 1.323 1.00 0.00 C ATOM 0 H LEU A 49 -2.255 19.222 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.156 21.146 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.566 18.636 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.648 19.505 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 49 0.266 19.414 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.623 18.717 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.593 17.628 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.632 18.820 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.024 21.117 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.994 21.377 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.561 21.765 1.438 1.00 0.00 H new ATOM 711 N LYS A 50 -0.438 21.580 -2.522 1.00 0.00 N ATOM 712 CA LYS A 50 0.054 22.555 -3.481 1.00 0.00 C ATOM 713 C LYS A 50 -0.619 23.904 -3.221 1.00 0.00 C ATOM 714 O LYS A 50 -0.039 24.954 -3.494 1.00 0.00 O ATOM 715 CB LYS A 50 -0.132 22.040 -4.910 1.00 0.00 C ATOM 716 CG LYS A 50 0.779 20.842 -5.184 1.00 0.00 C ATOM 717 CD LYS A 50 1.994 21.255 -6.016 1.00 0.00 C ATOM 718 CE LYS A 50 2.137 20.369 -7.255 1.00 0.00 C ATOM 719 NZ LYS A 50 3.539 19.923 -7.414 1.00 0.00 N ATOM 0 H LYS A 50 -0.771 20.708 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 50 1.127 22.705 -3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.172 21.753 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.087 22.838 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.110 20.410 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.220 20.068 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.894 22.297 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.896 21.185 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.481 19.503 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.821 20.919 -8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.619 19.323 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.157 20.753 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.828 19.380 -6.575 1.00 0.00 H new ATOM 733 N GLY A 51 -1.833 23.832 -2.695 1.00 0.00 N ATOM 734 CA GLY A 51 -2.591 25.035 -2.395 1.00 0.00 C ATOM 735 C GLY A 51 -2.662 25.276 -0.886 1.00 0.00 C ATOM 736 O GLY A 51 -3.707 25.662 -0.364 1.00 0.00 O ATOM 0 H GLY A 51 -2.310 22.959 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.127 25.892 -2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.599 24.945 -2.800 1.00 0.00 H new ATOM 740 N THR A 52 -1.538 25.037 -0.227 1.00 0.00 N ATOM 741 CA THR A 52 -1.459 25.223 1.212 1.00 0.00 C ATOM 742 C THR A 52 -0.246 26.082 1.573 1.00 0.00 C ATOM 743 O THR A 52 0.892 25.703 1.299 1.00 0.00 O ATOM 744 CB THR A 52 -1.441 23.841 1.867 1.00 0.00 C ATOM 745 OG1 THR A 52 -2.598 23.194 1.344 1.00 0.00 O ATOM 746 CG2 THR A 52 -1.699 23.903 3.374 1.00 0.00 C ATOM 0 H THR A 52 -0.674 24.716 -0.663 1.00 0.00 H new ATOM 0 HA THR A 52 -2.326 25.766 1.589 1.00 0.00 H new ATOM 0 HB THR A 52 -0.478 23.365 1.683 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.386 22.800 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.675 22.895 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.929 24.510 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.677 24.348 3.558 1.00 0.00 H new ATOM 754 N LYS A 53 -0.530 27.224 2.183 1.00 0.00 N ATOM 755 CA LYS A 53 0.524 28.140 2.585 1.00 0.00 C ATOM 756 C LYS A 53 0.357 28.484 4.066 1.00 0.00 C ATOM 757 O LYS A 53 1.079 29.327 4.596 1.00 0.00 O ATOM 758 CB LYS A 53 0.548 29.364 1.668 1.00 0.00 C ATOM 759 CG LYS A 53 1.302 29.063 0.371 1.00 0.00 C ATOM 760 CD LYS A 53 2.178 30.248 -0.041 1.00 0.00 C ATOM 761 CE LYS A 53 3.556 29.775 -0.507 1.00 0.00 C ATOM 762 NZ LYS A 53 4.622 30.596 0.110 1.00 0.00 N ATOM 0 H LYS A 53 -1.475 27.535 2.408 1.00 0.00 H new ATOM 0 HA LYS A 53 1.501 27.669 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.472 29.670 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.022 30.199 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.922 28.176 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.591 28.838 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.691 30.804 -0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.290 30.932 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.696 28.727 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.621 29.840 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.551 30.262 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.496 31.591 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.569 30.513 1.145 1.00 0.00 H new ATOM 776 N GLU A 54 -0.600 27.815 4.692 1.00 0.00 N ATOM 777 CA GLU A 54 -0.871 28.040 6.102 1.00 0.00 C ATOM 778 C GLU A 54 0.297 27.539 6.954 1.00 0.00 C ATOM 779 O GLU A 54 0.347 27.792 8.156 1.00 0.00 O ATOM 780 CB GLU A 54 -2.181 27.371 6.522 1.00 0.00 C ATOM 781 CG GLU A 54 -3.293 27.661 5.511 1.00 0.00 C ATOM 782 CD GLU A 54 -3.327 29.146 5.143 1.00 0.00 C ATOM 783 OE1 GLU A 54 -2.497 29.539 4.295 1.00 0.00 O ATOM 784 OE2 GLU A 54 -4.181 29.854 5.719 1.00 0.00 O ATOM 0 H GLU A 54 -1.197 27.117 4.249 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.980 29.112 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.033 26.294 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.478 27.730 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.137 27.064 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.255 27.364 5.928 1.00 0.00 H new ATOM 791 N SER A 55 1.209 26.838 6.296 1.00 0.00 N ATOM 792 CA SER A 55 2.374 26.300 6.978 1.00 0.00 C ATOM 793 C SER A 55 1.971 25.096 7.832 1.00 0.00 C ATOM 794 O SER A 55 2.459 23.988 7.619 1.00 0.00 O ATOM 795 CB SER A 55 3.046 27.366 7.846 1.00 0.00 C ATOM 796 OG SER A 55 4.388 27.019 8.174 1.00 0.00 O ATOM 0 H SER A 55 1.165 26.630 5.298 1.00 0.00 H new ATOM 0 HA SER A 55 3.093 25.978 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.037 28.321 7.320 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.472 27.502 8.763 1.00 0.00 H new ATOM 0 HG SER A 55 4.783 27.725 8.727 1.00 0.00 H new ATOM 802 N SER A 56 1.083 25.355 8.781 1.00 0.00 N ATOM 803 CA SER A 56 0.608 24.307 9.668 1.00 0.00 C ATOM 804 C SER A 56 -0.127 23.233 8.863 1.00 0.00 C ATOM 805 O SER A 56 0.106 22.041 9.054 1.00 0.00 O ATOM 806 CB SER A 56 -0.307 24.876 10.753 1.00 0.00 C ATOM 807 OG SER A 56 -1.338 25.694 10.207 1.00 0.00 O ATOM 0 H SER A 56 0.680 26.276 8.955 1.00 0.00 H new ATOM 0 HA SER A 56 1.471 23.857 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.754 24.057 11.316 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.285 25.461 11.457 1.00 0.00 H new ATOM 0 HG SER A 56 -1.902 26.037 10.932 1.00 0.00 H new ATOM 813 N LYS A 57 -1.000 23.695 7.980 1.00 0.00 N ATOM 814 CA LYS A 57 -1.771 22.790 7.145 1.00 0.00 C ATOM 815 C LYS A 57 -0.816 21.911 6.336 1.00 0.00 C ATOM 816 O LYS A 57 -1.004 20.699 6.250 1.00 0.00 O ATOM 817 CB LYS A 57 -2.767 23.570 6.285 1.00 0.00 C ATOM 818 CG LYS A 57 -3.834 24.240 7.153 1.00 0.00 C ATOM 819 CD LYS A 57 -5.155 24.374 6.391 1.00 0.00 C ATOM 820 CE LYS A 57 -6.273 23.599 7.092 1.00 0.00 C ATOM 821 NZ LYS A 57 -7.528 24.383 7.086 1.00 0.00 N ATOM 0 H LYS A 57 -1.191 24.685 7.825 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.373 22.123 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.238 24.326 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.243 22.897 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.990 23.655 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.488 25.225 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.430 25.426 6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.032 24.002 5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.431 22.644 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.981 23.376 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.277 23.843 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.377 25.283 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.813 24.574 6.104 1.00 0.00 H new ATOM 835 N ARG A 58 0.189 22.557 5.763 1.00 0.00 N ATOM 836 CA ARG A 58 1.175 21.849 4.963 1.00 0.00 C ATOM 837 C ARG A 58 1.788 20.702 5.769 1.00 0.00 C ATOM 838 O ARG A 58 1.902 19.582 5.274 1.00 0.00 O ATOM 839 CB ARG A 58 2.288 22.791 4.501 1.00 0.00 C ATOM 840 CG ARG A 58 1.787 23.739 3.409 1.00 0.00 C ATOM 841 CD ARG A 58 2.505 25.088 3.482 1.00 0.00 C ATOM 842 NE ARG A 58 3.298 25.306 2.252 1.00 0.00 N ATOM 843 CZ ARG A 58 4.498 24.755 2.023 1.00 0.00 C ATOM 844 NH1 ARG A 58 5.050 23.949 2.940 1.00 0.00 N ATOM 845 NH2 ARG A 58 5.145 25.009 0.878 1.00 0.00 N ATOM 0 H ARG A 58 0.342 23.563 5.837 1.00 0.00 H new ATOM 0 HA ARG A 58 0.666 21.449 4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.655 23.369 5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.129 22.209 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.949 23.289 2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.713 23.889 3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.777 25.891 3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.157 25.115 4.355 1.00 0.00 H new ATOM 0 HE ARG A 58 2.907 25.914 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.557 23.755 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.963 23.529 2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.724 25.622 0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.058 24.589 0.704 1.00 0.00 H new ATOM 859 N CYS A 59 2.167 21.022 6.998 1.00 0.00 N ATOM 860 CA CYS A 59 2.766 20.032 7.877 1.00 0.00 C ATOM 861 C CYS A 59 1.795 18.857 8.010 1.00 0.00 C ATOM 862 O CYS A 59 2.144 17.721 7.694 1.00 0.00 O ATOM 863 CB CYS A 59 3.128 20.630 9.239 1.00 0.00 C ATOM 864 SG CYS A 59 4.774 20.031 9.768 1.00 0.00 S ATOM 0 H CYS A 59 2.071 21.952 7.405 1.00 0.00 H new ATOM 0 HA CYS A 59 3.704 19.680 7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.130 21.718 9.179 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.376 20.353 9.978 1.00 0.00 H new ATOM 0 HG CYS A 59 5.072 20.546 10.924 1.00 0.00 H new ATOM 870 N VAL A 60 0.596 19.171 8.477 1.00 0.00 N ATOM 871 CA VAL A 60 -0.427 18.156 8.655 1.00 0.00 C ATOM 872 C VAL A 60 -0.596 17.373 7.351 1.00 0.00 C ATOM 873 O VAL A 60 -0.592 16.143 7.356 1.00 0.00 O ATOM 874 CB VAL A 60 -1.728 18.802 9.137 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.837 17.759 9.283 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.511 19.559 10.449 1.00 0.00 C ATOM 0 H VAL A 60 0.310 20.115 8.738 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.128 17.445 9.425 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.044 19.523 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.750 18.245 9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.019 17.284 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.533 17.004 10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.451 20.008 10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.160 18.867 11.215 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.767 20.342 10.299 1.00 0.00 H new ATOM 886 N LEU A 61 -0.740 18.119 6.266 1.00 0.00 N ATOM 887 CA LEU A 61 -0.910 17.511 4.957 1.00 0.00 C ATOM 888 C LEU A 61 0.255 16.556 4.688 1.00 0.00 C ATOM 889 O LEU A 61 0.059 15.346 4.582 1.00 0.00 O ATOM 890 CB LEU A 61 -1.082 18.588 3.884 1.00 0.00 C ATOM 891 CG LEU A 61 -2.418 19.334 3.891 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.333 20.619 3.064 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.556 18.425 3.422 1.00 0.00 C ATOM 0 H LEU A 61 -0.743 19.139 6.266 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.823 16.917 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.280 19.318 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.953 18.123 2.907 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.641 19.626 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.296 21.130 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.567 21.271 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.076 20.372 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.494 18.980 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.353 18.082 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.633 17.565 4.087 1.00 0.00 H new ATOM 905 N ARG A 62 1.442 17.136 4.586 1.00 0.00 N ATOM 906 CA ARG A 62 2.639 16.351 4.332 1.00 0.00 C ATOM 907 C ARG A 62 2.692 15.145 5.271 1.00 0.00 C ATOM 908 O ARG A 62 3.236 14.100 4.915 1.00 0.00 O ATOM 909 CB ARG A 62 3.901 17.194 4.524 1.00 0.00 C ATOM 910 CG ARG A 62 4.179 18.054 3.289 1.00 0.00 C ATOM 911 CD ARG A 62 5.531 18.761 3.406 1.00 0.00 C ATOM 912 NE ARG A 62 6.390 18.402 2.256 1.00 0.00 N ATOM 913 CZ ARG A 62 7.166 17.311 2.209 1.00 0.00 C ATOM 914 NH1 ARG A 62 7.196 16.465 3.247 1.00 0.00 N ATOM 915 NH2 ARG A 62 7.913 17.066 1.123 1.00 0.00 N ATOM 0 H ARG A 62 1.601 18.140 4.675 1.00 0.00 H new ATOM 0 HA ARG A 62 2.598 16.009 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.786 17.834 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.753 16.542 4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.168 17.429 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.387 18.793 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.385 19.841 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.020 18.478 4.338 1.00 0.00 H new ATOM 0 HE ARG A 62 6.391 19.025 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.628 16.651 4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.787 15.634 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.890 17.710 0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.504 16.235 1.087 1.00 0.00 H new ATOM 929 N THR A 63 2.119 15.328 6.451 1.00 0.00 N ATOM 930 CA THR A 63 2.094 14.268 7.444 1.00 0.00 C ATOM 931 C THR A 63 0.999 13.252 7.113 1.00 0.00 C ATOM 932 O THR A 63 1.133 12.068 7.417 1.00 0.00 O ATOM 933 CB THR A 63 1.928 14.913 8.822 1.00 0.00 C ATOM 934 OG1 THR A 63 3.263 15.063 9.298 1.00 0.00 O ATOM 935 CG2 THR A 63 1.274 13.971 9.835 1.00 0.00 C ATOM 0 H THR A 63 1.668 16.195 6.742 1.00 0.00 H new ATOM 0 HA THR A 63 3.027 13.705 7.443 1.00 0.00 H new ATOM 0 HB THR A 63 1.328 15.818 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.249 15.476 10.187 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.180 14.478 10.795 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.285 13.683 9.478 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.890 13.080 9.954 1.00 0.00 H new ATOM 943 N LYS A 64 -0.060 13.753 6.495 1.00 0.00 N ATOM 944 CA LYS A 64 -1.178 12.905 6.119 1.00 0.00 C ATOM 945 C LYS A 64 -0.832 12.152 4.832 1.00 0.00 C ATOM 946 O LYS A 64 -0.845 10.923 4.806 1.00 0.00 O ATOM 947 CB LYS A 64 -2.466 13.726 6.023 1.00 0.00 C ATOM 948 CG LYS A 64 -3.396 13.427 7.200 1.00 0.00 C ATOM 949 CD LYS A 64 -4.817 13.917 6.915 1.00 0.00 C ATOM 950 CE LYS A 64 -5.238 14.991 7.920 1.00 0.00 C ATOM 951 NZ LYS A 64 -6.042 14.395 9.010 1.00 0.00 N ATOM 0 H LYS A 64 -0.168 14.736 6.245 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.362 12.155 6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.224 14.789 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.976 13.501 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.410 12.354 7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.015 13.909 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.871 14.319 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.511 13.078 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.354 15.475 8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.817 15.764 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.319 15.138 9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.895 13.954 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.478 13.674 9.503 1.00 0.00 H new ATOM 965 N ILE A 65 -0.530 12.922 3.797 1.00 0.00 N ATOM 966 CA ILE A 65 -0.180 12.343 2.511 1.00 0.00 C ATOM 967 C ILE A 65 0.778 11.171 2.728 1.00 0.00 C ATOM 968 O ILE A 65 0.442 10.026 2.428 1.00 0.00 O ATOM 969 CB ILE A 65 0.367 13.419 1.571 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.770 14.220 0.933 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.297 12.808 0.520 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.404 15.702 0.829 1.00 0.00 C ATOM 0 H ILE A 65 -0.520 13.942 3.823 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.067 11.943 2.019 1.00 0.00 H new ATOM 0 HB ILE A 65 0.961 14.117 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.986 13.824 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.677 14.106 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.672 13.594 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.135 12.319 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.747 12.075 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.229 16.249 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.212 16.100 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.490 15.814 0.215 1.00 0.00 H new ATOM 984 N SER A 66 1.953 11.496 3.248 1.00 0.00 N ATOM 985 CA SER A 66 2.962 10.483 3.508 1.00 0.00 C ATOM 986 C SER A 66 2.365 9.354 4.351 1.00 0.00 C ATOM 987 O SER A 66 2.446 8.186 3.975 1.00 0.00 O ATOM 988 CB SER A 66 4.178 11.087 4.214 1.00 0.00 C ATOM 989 OG SER A 66 5.242 11.358 3.306 1.00 0.00 O ATOM 0 H SER A 66 2.229 12.446 3.496 1.00 0.00 H new ATOM 0 HA SER A 66 3.294 10.077 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.885 12.010 4.715 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.526 10.401 4.987 1.00 0.00 H new ATOM 0 HG SER A 66 5.999 11.744 3.795 1.00 0.00 H new ATOM 995 N GLY A 67 1.780 9.743 5.474 1.00 0.00 N ATOM 996 CA GLY A 67 1.170 8.778 6.373 1.00 0.00 C ATOM 997 C GLY A 67 0.227 7.842 5.614 1.00 0.00 C ATOM 998 O GLY A 67 -0.053 6.734 6.070 1.00 0.00 O ATOM 0 H GLY A 67 1.715 10.713 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.947 8.195 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.618 9.301 7.154 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.236 8.321 4.469 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.141 7.540 3.643 1.00 0.00 C ATOM 1004 C TYR A 68 -0.397 6.896 2.472 1.00 0.00 C ATOM 1005 O TYR A 68 -0.889 5.944 1.867 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.171 8.530 3.094 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.125 9.087 4.153 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.818 8.225 4.979 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.292 10.451 4.282 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.715 8.749 5.975 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.190 10.975 5.278 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.857 10.098 6.076 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.705 10.593 7.017 1.00 0.00 O ATOM 0 H TYR A 68 -0.002 9.240 4.094 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.598 6.740 4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.646 9.360 2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.755 8.037 2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.687 7.158 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.749 11.125 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.263 8.086 6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.331 12.040 5.389 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.739 9.980 7.781 1.00 0.00 H new ATOM 1023 N MET A 69 0.778 7.439 2.188 1.00 0.00 N ATOM 1024 CA MET A 69 1.595 6.929 1.100 1.00 0.00 C ATOM 1025 C MET A 69 2.338 5.660 1.522 1.00 0.00 C ATOM 1026 O MET A 69 2.433 4.706 0.751 1.00 0.00 O ATOM 1027 CB MET A 69 2.606 7.997 0.676 1.00 0.00 C ATOM 1028 CG MET A 69 1.899 9.211 0.071 1.00 0.00 C ATOM 1029 SD MET A 69 2.616 9.607 -1.515 1.00 0.00 S ATOM 1030 CE MET A 69 2.218 8.118 -2.415 1.00 0.00 C ATOM 0 H MET A 69 1.184 8.227 2.693 1.00 0.00 H new ATOM 0 HA MET A 69 0.941 6.683 0.263 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.196 8.308 1.538 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.301 7.577 -0.051 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.835 9.003 -0.043 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.986 10.065 0.742 1.00 0.00 H new ATOM 0 HE1 MET A 69 2.055 8.360 -3.465 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.042 7.410 -2.330 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.313 7.673 -2.000 1.00 0.00 H new ATOM 1040 N ASP A 70 2.847 5.690 2.745 1.00 0.00 N ATOM 1041 CA ASP A 70 3.580 4.554 3.278 1.00 0.00 C ATOM 1042 C ASP A 70 2.698 3.305 3.207 1.00 0.00 C ATOM 1043 O ASP A 70 3.115 2.276 2.677 1.00 0.00 O ATOM 1044 CB ASP A 70 3.959 4.781 4.743 1.00 0.00 C ATOM 1045 CG ASP A 70 4.987 3.798 5.305 1.00 0.00 C ATOM 1046 OD1 ASP A 70 6.113 3.782 4.763 1.00 0.00 O ATOM 1047 OD2 ASP A 70 4.623 3.084 6.264 1.00 0.00 O ATOM 0 H ASP A 70 2.766 6.483 3.382 1.00 0.00 H new ATOM 0 HA ASP A 70 4.487 4.430 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.351 5.793 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.055 4.724 5.349 1.00 0.00 H new ATOM 1052 N ARG A 71 1.496 3.437 3.748 1.00 0.00 N ATOM 1053 CA ARG A 71 0.552 2.332 3.752 1.00 0.00 C ATOM 1054 C ARG A 71 0.265 1.874 2.321 1.00 0.00 C ATOM 1055 O ARG A 71 0.331 0.683 2.021 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.762 2.733 4.426 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.543 1.498 4.881 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.756 0.707 5.928 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.680 0.145 6.938 1.00 0.00 N ATOM 1060 CZ ARG A 71 -1.283 -0.519 8.032 1.00 0.00 C ATOM 1061 NH1 ARG A 71 0.023 -0.709 8.263 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.193 -0.993 8.895 1.00 0.00 N ATOM 0 H ARG A 71 1.154 4.292 4.187 1.00 0.00 H new ATOM 0 HA ARG A 71 1.001 1.514 4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.555 3.373 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.368 3.316 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.503 1.803 5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.755 0.861 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.199 -0.096 5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.026 1.355 6.412 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.682 0.271 6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.715 -0.348 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.325 -1.214 9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.187 -0.848 8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.891 -1.499 9.728 1.00 0.00 H new ATOM 1076 N ALA A 72 -0.050 2.844 1.475 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.348 2.556 0.082 1.00 0.00 C ATOM 1078 C ALA A 72 0.804 1.752 -0.525 1.00 0.00 C ATOM 1079 O ALA A 72 0.591 0.669 -1.069 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.604 3.865 -0.667 1.00 0.00 C ATOM 0 H ALA A 72 -0.105 3.831 1.728 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.252 1.952 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.827 3.649 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.449 4.384 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.282 4.497 -0.609 1.00 0.00 H new ATOM 1086 N GLU A 73 1.999 2.314 -0.413 1.00 0.00 N ATOM 1087 CA GLU A 73 3.184 1.663 -0.945 1.00 0.00 C ATOM 1088 C GLU A 73 3.259 0.215 -0.456 1.00 0.00 C ATOM 1089 O GLU A 73 3.112 -0.718 -1.244 1.00 0.00 O ATOM 1090 CB GLU A 73 4.450 2.435 -0.567 1.00 0.00 C ATOM 1091 CG GLU A 73 4.978 3.238 -1.758 1.00 0.00 C ATOM 1092 CD GLU A 73 6.507 3.303 -1.740 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.122 2.290 -2.138 1.00 0.00 O ATOM 1094 OE2 GLU A 73 7.025 4.364 -1.329 1.00 0.00 O ATOM 0 H GLU A 73 2.172 3.212 0.038 1.00 0.00 H new ATOM 0 HA GLU A 73 3.113 1.656 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.236 3.108 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.216 1.739 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.641 2.780 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.567 4.247 -1.732 1.00 0.00 H new ATOM 1101 N ASN A 74 3.487 0.073 0.841 1.00 0.00 N ATOM 1102 CA ASN A 74 3.583 -1.246 1.444 1.00 0.00 C ATOM 1103 C ASN A 74 2.538 -2.168 0.813 1.00 0.00 C ATOM 1104 O ASN A 74 2.843 -3.304 0.454 1.00 0.00 O ATOM 1105 CB ASN A 74 3.313 -1.184 2.949 1.00 0.00 C ATOM 1106 CG ASN A 74 4.531 -1.659 3.744 1.00 0.00 C ATOM 1107 OD1 ASN A 74 4.812 -2.841 3.852 1.00 0.00 O ATOM 1108 ND2 ASN A 74 5.235 -0.673 4.294 1.00 0.00 N ATOM 0 H ASN A 74 3.608 0.849 1.491 1.00 0.00 H new ATOM 0 HA ASN A 74 4.592 -1.622 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.063 -0.163 3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.450 -1.804 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.066 -0.886 4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.944 0.296 4.164 1.00 0.00 H new ATOM 1115 N ILE A 75 1.326 -1.644 0.698 1.00 0.00 N ATOM 1116 CA ILE A 75 0.234 -2.406 0.116 1.00 0.00 C ATOM 1117 C ILE A 75 0.584 -2.771 -1.328 1.00 0.00 C ATOM 1118 O ILE A 75 0.662 -3.949 -1.673 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.085 -1.643 0.256 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.624 -1.737 1.684 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.108 -2.124 -0.776 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.795 -0.774 1.893 1.00 0.00 C ATOM 0 H ILE A 75 1.076 -0.702 0.998 1.00 0.00 H new ATOM 0 HA ILE A 75 0.093 -3.343 0.655 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.894 -0.589 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.947 -2.758 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.828 -1.507 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.037 -1.566 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.716 -1.962 -1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.301 -3.187 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.159 -0.861 2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.462 0.248 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.598 -1.022 1.200 1.00 0.00 H new ATOM 1134 N LYS A 76 0.786 -1.738 -2.133 1.00 0.00 N ATOM 1135 CA LYS A 76 1.126 -1.934 -3.532 1.00 0.00 C ATOM 1136 C LYS A 76 2.273 -2.941 -3.636 1.00 0.00 C ATOM 1137 O LYS A 76 2.187 -3.910 -4.390 1.00 0.00 O ATOM 1138 CB LYS A 76 1.422 -0.593 -4.205 1.00 0.00 C ATOM 1139 CG LYS A 76 0.212 -0.100 -5.001 1.00 0.00 C ATOM 1140 CD LYS A 76 0.575 0.120 -6.471 1.00 0.00 C ATOM 1141 CE LYS A 76 1.557 1.283 -6.625 1.00 0.00 C ATOM 1142 NZ LYS A 76 0.907 2.423 -7.309 1.00 0.00 N ATOM 0 H LYS A 76 0.721 -0.762 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 76 0.280 -2.356 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.690 0.146 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.281 -0.697 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.597 -0.827 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.156 0.831 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.015 -0.789 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.328 0.324 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.916 1.596 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.428 0.958 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.587 3.204 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.586 2.125 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.090 2.743 -6.751 1.00 0.00 H new ATOM 1156 N LYS A 77 3.321 -2.678 -2.870 1.00 0.00 N ATOM 1157 CA LYS A 77 4.484 -3.549 -2.867 1.00 0.00 C ATOM 1158 C LYS A 77 4.046 -4.976 -2.535 1.00 0.00 C ATOM 1159 O LYS A 77 4.708 -5.939 -2.920 1.00 0.00 O ATOM 1160 CB LYS A 77 5.561 -3.002 -1.928 1.00 0.00 C ATOM 1161 CG LYS A 77 6.443 -1.976 -2.643 1.00 0.00 C ATOM 1162 CD LYS A 77 5.782 -0.596 -2.654 1.00 0.00 C ATOM 1163 CE LYS A 77 4.832 -0.453 -3.845 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.414 0.447 -4.866 1.00 0.00 N ATOM 0 H LYS A 77 3.389 -1.874 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 77 4.941 -3.577 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.091 -2.540 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.177 -3.822 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.411 -1.915 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.629 -2.302 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.232 -0.445 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.548 0.178 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.638 -1.432 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.873 -0.059 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.757 0.533 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.577 1.386 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.318 0.055 -5.200 1.00 0.00 H new ATOM 1178 N TYR A 78 2.933 -5.069 -1.822 1.00 0.00 N ATOM 1179 CA TYR A 78 2.399 -6.363 -1.433 1.00 0.00 C ATOM 1180 C TYR A 78 1.367 -6.858 -2.449 1.00 0.00 C ATOM 1181 O TYR A 78 1.122 -8.059 -2.556 1.00 0.00 O ATOM 1182 CB TYR A 78 1.706 -6.146 -0.086 1.00 0.00 C ATOM 1183 CG TYR A 78 0.451 -6.998 0.113 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.565 -8.299 0.560 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.794 -6.466 -0.155 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.616 -9.101 0.748 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -1.975 -7.268 0.033 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.828 -8.546 0.475 1.00 0.00 C ATOM 1189 OH TYR A 78 -2.943 -9.304 0.652 1.00 0.00 O ATOM 0 H TYR A 78 2.386 -4.269 -1.504 1.00 0.00 H new ATOM 0 HA TYR A 78 3.195 -7.106 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.413 -6.366 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.437 -5.094 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.540 -8.715 0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.882 -5.448 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.542 -10.120 1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.955 -6.864 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.918 -10.071 0.042 1.00 0.00 H new ATOM 1199 N LEU A 79 0.791 -5.908 -3.170 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.209 -6.232 -4.174 1.00 0.00 C ATOM 1201 C LEU A 79 0.492 -6.677 -5.459 1.00 0.00 C ATOM 1202 O LEU A 79 0.006 -7.563 -6.160 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.169 -5.058 -4.372 1.00 0.00 C ATOM 1204 CG LEU A 79 -2.027 -4.681 -3.162 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.864 -3.433 -3.451 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.892 -5.861 -2.715 1.00 0.00 C ATOM 0 H LEU A 79 0.997 -4.913 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.827 -7.066 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.587 -4.184 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.833 -5.294 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.362 -4.437 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.464 -3.187 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.203 -2.598 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.521 -3.624 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.492 -5.567 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.550 -6.159 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.251 -6.699 -2.441 1.00 0.00 H new ATOM 1218 N ASP A 80 1.623 -6.042 -5.730 1.00 0.00 N ATOM 1219 CA ASP A 80 2.395 -6.362 -6.918 1.00 0.00 C ATOM 1220 C ASP A 80 2.909 -7.799 -6.816 1.00 0.00 C ATOM 1221 O ASP A 80 2.916 -8.532 -7.804 1.00 0.00 O ATOM 1222 CB ASP A 80 3.605 -5.435 -7.055 1.00 0.00 C ATOM 1223 CG ASP A 80 3.719 -4.715 -8.400 1.00 0.00 C ATOM 1224 OD1 ASP A 80 2.715 -4.082 -8.792 1.00 0.00 O ATOM 1225 OD2 ASP A 80 4.808 -4.814 -9.006 1.00 0.00 O ATOM 0 H ASP A 80 2.023 -5.307 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 80 1.746 -6.238 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.563 -4.688 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.511 -6.019 -6.895 1.00 0.00 H new ATOM 1230 N GLN A 81 3.328 -8.159 -5.611 1.00 0.00 N ATOM 1231 CA GLN A 81 3.843 -9.496 -5.367 1.00 0.00 C ATOM 1232 C GLN A 81 2.691 -10.498 -5.266 1.00 0.00 C ATOM 1233 O GLN A 81 2.770 -11.597 -5.813 1.00 0.00 O ATOM 1234 CB GLN A 81 4.710 -9.527 -4.107 1.00 0.00 C ATOM 1235 CG GLN A 81 3.849 -9.411 -2.847 1.00 0.00 C ATOM 1236 CD GLN A 81 4.721 -9.361 -1.590 1.00 0.00 C ATOM 1237 OE1 GLN A 81 5.914 -9.616 -1.620 1.00 0.00 O ATOM 1238 NE2 GLN A 81 4.062 -9.018 -0.488 1.00 0.00 N ATOM 0 H GLN A 81 3.321 -7.548 -4.794 1.00 0.00 H new ATOM 0 HA GLN A 81 4.474 -9.782 -6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.282 -10.455 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.430 -8.709 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.234 -8.513 -2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.168 -10.260 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.063 -8.817 -0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.555 -8.955 0.403 1.00 0.00 H new ATOM 1247 N GLU A 82 1.648 -10.083 -4.562 1.00 0.00 N ATOM 1248 CA GLU A 82 0.482 -10.931 -4.382 1.00 0.00 C ATOM 1249 C GLU A 82 -0.096 -11.334 -5.740 1.00 0.00 C ATOM 1250 O GLU A 82 -0.624 -12.435 -5.893 1.00 0.00 O ATOM 1251 CB GLU A 82 -0.575 -10.235 -3.522 1.00 0.00 C ATOM 1252 CG GLU A 82 -0.209 -10.309 -2.038 1.00 0.00 C ATOM 1253 CD GLU A 82 -1.051 -11.365 -1.318 1.00 0.00 C ATOM 1254 OE1 GLU A 82 -2.291 -11.209 -1.334 1.00 0.00 O ATOM 1255 OE2 GLU A 82 -0.435 -12.304 -0.769 1.00 0.00 O ATOM 0 H GLU A 82 1.586 -9.171 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 82 0.792 -11.835 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.668 -9.192 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.546 -10.702 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.849 -10.548 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.364 -9.336 -1.572 1.00 0.00 H new ATOM 1262 N LYS A 83 0.023 -10.421 -6.693 1.00 0.00 N ATOM 1263 CA LYS A 83 -0.481 -10.668 -8.033 1.00 0.00 C ATOM 1264 C LYS A 83 0.282 -11.841 -8.652 1.00 0.00 C ATOM 1265 O LYS A 83 -0.325 -12.796 -9.134 1.00 0.00 O ATOM 1266 CB LYS A 83 -0.426 -9.388 -8.870 1.00 0.00 C ATOM 1267 CG LYS A 83 -1.833 -8.897 -9.214 1.00 0.00 C ATOM 1268 CD LYS A 83 -1.848 -8.174 -10.563 1.00 0.00 C ATOM 1269 CE LYS A 83 -3.276 -8.027 -11.091 1.00 0.00 C ATOM 1270 NZ LYS A 83 -3.668 -6.601 -11.135 1.00 0.00 N ATOM 0 H LYS A 83 0.461 -9.509 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.532 -10.954 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.109 -8.613 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.133 -9.573 -9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.520 -9.743 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.188 -8.225 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.393 -7.189 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.246 -8.728 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.348 -8.461 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.965 -8.580 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.640 -6.519 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.619 -6.198 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.021 -6.082 -11.763 1.00 0.00 H new ATOM 1284 N GLU A 84 1.602 -11.730 -8.620 1.00 0.00 N ATOM 1285 CA GLU A 84 2.454 -12.770 -9.172 1.00 0.00 C ATOM 1286 C GLU A 84 2.267 -14.076 -8.397 1.00 0.00 C ATOM 1287 O GLU A 84 2.271 -15.156 -8.985 1.00 0.00 O ATOM 1288 CB GLU A 84 3.921 -12.335 -9.169 1.00 0.00 C ATOM 1289 CG GLU A 84 4.337 -11.800 -10.540 1.00 0.00 C ATOM 1290 CD GLU A 84 5.751 -12.260 -10.902 1.00 0.00 C ATOM 1291 OE1 GLU A 84 5.881 -13.438 -11.298 1.00 0.00 O ATOM 1292 OE2 GLU A 84 6.670 -11.423 -10.774 1.00 0.00 O ATOM 0 H GLU A 84 2.102 -10.936 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 84 2.162 -12.941 -10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.074 -11.565 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.554 -13.180 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.633 -12.145 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.294 -10.711 -10.538 1.00 0.00 H new ATOM 1299 N ASP A 85 2.108 -13.934 -7.089 1.00 0.00 N ATOM 1300 CA ASP A 85 1.921 -15.089 -6.228 1.00 0.00 C ATOM 1301 C ASP A 85 0.507 -15.640 -6.424 1.00 0.00 C ATOM 1302 O ASP A 85 0.153 -16.668 -5.848 1.00 0.00 O ATOM 1303 CB ASP A 85 2.081 -14.710 -4.755 1.00 0.00 C ATOM 1304 CG ASP A 85 1.374 -15.640 -3.767 1.00 0.00 C ATOM 1305 OD1 ASP A 85 0.170 -15.405 -3.528 1.00 0.00 O ATOM 1306 OD2 ASP A 85 2.054 -16.566 -3.274 1.00 0.00 O ATOM 0 H ASP A 85 2.105 -13.036 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 85 2.673 -15.832 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.144 -14.689 -4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.702 -13.698 -4.613 1.00 0.00 H new ATOM 1311 N GLY A 86 -0.263 -14.933 -7.238 1.00 0.00 N ATOM 1312 CA GLY A 86 -1.630 -15.339 -7.516 1.00 0.00 C ATOM 1313 C GLY A 86 -1.721 -16.852 -7.727 1.00 0.00 C ATOM 1314 O GLY A 86 -2.766 -17.454 -7.488 1.00 0.00 O ATOM 0 H GLY A 86 0.034 -14.081 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.276 -15.044 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.993 -14.822 -8.404 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.611 -17.422 -8.173 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.552 -18.853 -8.420 1.00 0.00 C ATOM 1320 C LYS A 87 -1.259 -19.592 -7.282 1.00 0.00 C ATOM 1321 O LYS A 87 -2.077 -20.478 -7.526 1.00 0.00 O ATOM 1322 CB LYS A 87 0.895 -19.300 -8.637 1.00 0.00 C ATOM 1323 CG LYS A 87 1.774 -18.912 -7.446 1.00 0.00 C ATOM 1324 CD LYS A 87 3.251 -18.875 -7.843 1.00 0.00 C ATOM 1325 CE LYS A 87 3.520 -17.751 -8.846 1.00 0.00 C ATOM 1326 NZ LYS A 87 4.336 -18.249 -9.976 1.00 0.00 N ATOM 0 H LYS A 87 0.254 -16.919 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.080 -19.103 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.928 -20.380 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.287 -18.845 -9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.471 -17.935 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.630 -19.626 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.867 -18.730 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.539 -19.832 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.576 -17.354 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.037 -16.929 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.509 -17.474 -10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.245 -18.606 -9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.828 -19.018 -10.459 1.00 0.00 H new ATOM 1340 N SER A 88 -0.919 -19.199 -6.063 1.00 0.00 N ATOM 1341 CA SER A 88 -1.512 -19.813 -4.886 1.00 0.00 C ATOM 1342 C SER A 88 -2.150 -18.740 -4.001 1.00 0.00 C ATOM 1343 O SER A 88 -1.619 -18.408 -2.942 1.00 0.00 O ATOM 1344 CB SER A 88 -0.469 -20.604 -4.094 1.00 0.00 C ATOM 1345 OG SER A 88 0.133 -21.629 -4.879 1.00 0.00 O ATOM 0 H SER A 88 -0.241 -18.463 -5.865 1.00 0.00 H new ATOM 0 HA SER A 88 -2.284 -20.509 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.303 -19.925 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.940 -21.048 -3.217 1.00 0.00 H new ATOM 0 HG SER A 88 0.794 -22.110 -4.338 1.00 0.00 H new ATOM 1351 N GLY A 89 -3.279 -18.227 -4.468 1.00 0.00 N ATOM 1352 CA GLY A 89 -3.994 -17.199 -3.733 1.00 0.00 C ATOM 1353 C GLY A 89 -5.500 -17.471 -3.734 1.00 0.00 C ATOM 1354 O GLY A 89 -5.940 -18.544 -4.144 1.00 0.00 O ATOM 0 H GLY A 89 -3.716 -18.505 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.629 -17.160 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.797 -16.224 -4.179 1.00 0.00 H new ATOM 1358 N PRO A 90 -6.268 -16.454 -3.260 1.00 0.00 N ATOM 1359 CA PRO A 90 -7.715 -16.572 -3.203 1.00 0.00 C ATOM 1360 C PRO A 90 -8.332 -16.434 -4.596 1.00 0.00 C ATOM 1361 O PRO A 90 -9.139 -17.266 -5.007 1.00 0.00 O ATOM 1362 CB PRO A 90 -8.162 -15.481 -2.244 1.00 0.00 C ATOM 1363 CG PRO A 90 -7.004 -14.499 -2.161 1.00 0.00 C ATOM 1364 CD PRO A 90 -5.781 -15.169 -2.766 1.00 0.00 C ATOM 0 HA PRO A 90 -8.043 -17.550 -2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.066 -14.990 -2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.394 -15.895 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.242 -13.582 -2.699 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.813 -14.220 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.359 -14.569 -3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.995 -15.303 -2.023 1.00 0.00 H new ATOM 1372 N SER A 91 -7.928 -15.377 -5.285 1.00 0.00 N ATOM 1373 CA SER A 91 -8.431 -15.118 -6.623 1.00 0.00 C ATOM 1374 C SER A 91 -9.935 -14.847 -6.573 1.00 0.00 C ATOM 1375 O SER A 91 -10.709 -15.695 -6.131 1.00 0.00 O ATOM 1376 CB SER A 91 -8.134 -16.292 -7.559 1.00 0.00 C ATOM 1377 OG SER A 91 -8.076 -15.886 -8.923 1.00 0.00 O ATOM 0 H SER A 91 -7.257 -14.689 -4.941 1.00 0.00 H new ATOM 0 HA SER A 91 -7.923 -14.237 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.186 -16.750 -7.277 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.904 -17.054 -7.440 1.00 0.00 H new ATOM 0 HG SER A 91 -7.883 -16.663 -9.488 1.00 0.00 H new ATOM 1383 N SER A 92 -10.306 -13.660 -7.034 1.00 0.00 N ATOM 1384 CA SER A 92 -11.704 -13.266 -7.047 1.00 0.00 C ATOM 1385 C SER A 92 -12.173 -12.953 -5.625 1.00 0.00 C ATOM 1386 O SER A 92 -12.533 -13.857 -4.873 1.00 0.00 O ATOM 1387 CB SER A 92 -12.578 -14.359 -7.666 1.00 0.00 C ATOM 1388 OG SER A 92 -11.953 -14.970 -8.791 1.00 0.00 O ATOM 0 H SER A 92 -9.662 -12.959 -7.401 1.00 0.00 H new ATOM 0 HA SER A 92 -11.801 -12.370 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.794 -15.119 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.533 -13.930 -7.970 1.00 0.00 H new ATOM 0 HG SER A 92 -12.542 -15.663 -9.156 1.00 0.00 H new ATOM 1394 N GLY A 93 -12.154 -11.669 -5.299 1.00 0.00 N ATOM 1395 CA GLY A 93 -12.573 -11.225 -3.981 1.00 0.00 C ATOM 1396 C GLY A 93 -13.049 -9.771 -4.017 1.00 0.00 C ATOM 1397 O GLY A 93 -14.051 -9.458 -4.657 1.00 0.00 O ATOM 0 H GLY A 93 -11.855 -10.922 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.376 -11.865 -3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.744 -11.323 -3.280 1.00 0.00 H new TER 1401 GLY A 93