USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 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 NoAdj-H: A 39 ALY H2 : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD NoAdj-H: A 39 ALY H : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD Set 1.1: A 51 TYR OH : rot -47:sc= 0.292 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= 0.245 F(o=-0.88!,f=0.54) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -128:sc= 0.132 (180deg=-1.23) USER MOD Set 2.2: A 35 HIS : no HD1:sc= -1.1! C(o=-0.97!,f=-6.6!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -170:sc= 1.92 (180deg=0.516) USER MOD Set 3.2: A 21 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.147 (180deg=-0.58) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.889 (180deg=0.58) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.0252 (180deg=-0.246) USER MOD Single : A 9 SER OG : rot -46:sc= 0.622 USER MOD Single : A 10 THR OG1 : rot 111:sc= 1.21 USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= 1.28 (180deg=1.21) USER MOD Single : A 23 LYS NZ :NH3+ -117:sc= 0.36 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.45! C(o=-3.5!,f=-12!) USER MOD Single : A 31 SER OG : rot -42:sc= 0.34 USER MOD Single : A 32 SER OG : rot 180:sc= -0.596 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -145:sc= -2.22! (180deg=-4.19!) USER MOD Single : A 41 THR OG1 : rot -141:sc= 0.874 USER MOD Single : A 42 THR OG1 : rot -83:sc= -3.66! USER MOD Single : A 43 HIS : no HD1:sc= -0.76 X(o=-0.76,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.19 (180deg=1.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 140:sc= -1.02 (180deg=-4.79!) USER MOD Single : A 50 SER OG : rot 77:sc= 1.22 USER MOD Single : A 52 CYS SG : rot 57:sc= 0.239 USER MOD Single : A 53 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.086) USER MOD Single : A 55 GLN : amide:sc= -0.365 K(o=-0.37,f=-1.3) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.7!) USER MOD Single : A 61 SER OG : rot -106:sc= -0.181 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.918 F(o=-1.4,f=-0.92) USER MOD Single : A 74 ASN : amide:sc= -0.0027 X(o=-0.0027,f=-0.097) USER MOD Single : A 75 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-8.2!) USER MOD Single : A 76 THR OG1 : rot -150:sc= -2.15! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -176:sc= -4.89! (180deg=-5.01!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc=-0.00224 F(o=-1.2!,f=-0.0022) USER MOD Single : A 95 THR OG1 : rot 48:sc= 0.284 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.649 -5.960 16.091 1.00 0.00 N ATOM 2 CA MET A 1 -32.534 -7.136 15.965 1.00 0.00 C ATOM 3 C MET A 1 -32.879 -7.726 17.334 1.00 0.00 C ATOM 4 O MET A 1 -34.032 -8.063 17.597 1.00 0.00 O ATOM 5 CB MET A 1 -31.907 -8.209 15.053 1.00 0.00 C ATOM 6 CG MET A 1 -30.569 -8.756 15.536 1.00 0.00 C ATOM 7 SD MET A 1 -29.868 -9.990 14.417 1.00 0.00 S ATOM 8 CE MET A 1 -29.592 -9.003 12.945 1.00 0.00 C ATOM 0 H1 MET A 1 -31.557 -5.494 15.166 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.055 -5.292 16.777 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.711 -6.265 16.419 1.00 0.00 H new ATOM 0 HA MET A 1 -33.461 -6.797 15.504 1.00 0.00 H new ATOM 0 HB2 MET A 1 -32.608 -9.038 14.955 1.00 0.00 H new ATOM 0 HB3 MET A 1 -31.773 -7.786 14.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.864 -7.932 15.647 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.699 -9.200 16.523 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.874 -9.507 12.298 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.534 -8.874 12.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.200 -8.027 13.230 1.00 0.00 H new ATOM 18 N SER A 2 -31.892 -7.848 18.209 1.00 0.00 N ATOM 19 CA SER A 2 -32.125 -8.386 19.535 1.00 0.00 C ATOM 20 C SER A 2 -32.122 -7.251 20.549 1.00 0.00 C ATOM 21 O SER A 2 -33.164 -6.879 21.094 1.00 0.00 O ATOM 22 CB SER A 2 -31.059 -9.439 19.876 1.00 0.00 C ATOM 23 OG SER A 2 -31.283 -10.016 21.151 1.00 0.00 O ATOM 0 H SER A 2 -30.925 -7.582 18.023 1.00 0.00 H new ATOM 0 HA SER A 2 -33.098 -8.876 19.565 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.063 -10.221 19.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.071 -8.978 19.853 1.00 0.00 H new ATOM 0 HG SER A 2 -30.588 -10.682 21.335 1.00 0.00 H new ATOM 29 N ASP A 3 -30.960 -6.686 20.794 1.00 0.00 N ATOM 30 CA ASP A 3 -30.846 -5.547 21.682 1.00 0.00 C ATOM 31 C ASP A 3 -30.420 -4.349 20.875 1.00 0.00 C ATOM 32 O ASP A 3 -31.213 -3.441 20.603 1.00 0.00 O ATOM 33 CB ASP A 3 -29.841 -5.810 22.812 1.00 0.00 C ATOM 34 CG ASP A 3 -30.218 -6.992 23.678 1.00 0.00 C ATOM 35 OD1 ASP A 3 -31.328 -6.990 24.256 1.00 0.00 O ATOM 36 OD2 ASP A 3 -29.396 -7.929 23.803 1.00 0.00 O ATOM 0 H ASP A 3 -30.077 -6.997 20.390 1.00 0.00 H new ATOM 0 HA ASP A 3 -31.815 -5.364 22.147 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -28.855 -5.983 22.380 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -29.764 -4.920 23.436 1.00 0.00 H new ATOM 41 N GLN A 4 -29.170 -4.363 20.460 1.00 0.00 N ATOM 42 CA GLN A 4 -28.604 -3.331 19.621 1.00 0.00 C ATOM 43 C GLN A 4 -27.242 -3.778 19.127 1.00 0.00 C ATOM 44 O GLN A 4 -26.375 -4.169 19.906 1.00 0.00 O ATOM 45 CB GLN A 4 -28.506 -1.987 20.361 1.00 0.00 C ATOM 46 CG GLN A 4 -27.696 -2.036 21.639 1.00 0.00 C ATOM 47 CD GLN A 4 -27.622 -0.691 22.326 1.00 0.00 C ATOM 48 OE1 GLN A 4 -28.470 -0.351 23.151 1.00 0.00 O ATOM 49 NE2 GLN A 4 -26.604 0.078 22.005 1.00 0.00 N ATOM 0 H GLN A 4 -28.511 -5.103 20.700 1.00 0.00 H new ATOM 0 HA GLN A 4 -29.265 -3.175 18.768 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -28.063 -1.249 19.692 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -29.513 -1.641 20.596 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -28.138 -2.764 22.319 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -26.687 -2.382 21.414 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -25.922 -0.240 21.316 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -26.497 0.992 22.445 1.00 0.00 H new ATOM 58 N GLU A 5 -27.063 -3.753 17.836 1.00 0.00 N ATOM 59 CA GLU A 5 -25.824 -4.177 17.233 1.00 0.00 C ATOM 60 C GLU A 5 -25.130 -3.016 16.545 1.00 0.00 C ATOM 61 O GLU A 5 -25.777 -2.089 16.053 1.00 0.00 O ATOM 62 CB GLU A 5 -26.050 -5.346 16.246 1.00 0.00 C ATOM 63 CG GLU A 5 -27.062 -5.070 15.128 1.00 0.00 C ATOM 64 CD GLU A 5 -28.490 -4.984 15.628 1.00 0.00 C ATOM 65 OE1 GLU A 5 -29.054 -6.031 16.014 1.00 0.00 O ATOM 66 OE2 GLU A 5 -29.051 -3.867 15.650 1.00 0.00 O ATOM 0 H GLU A 5 -27.769 -3.439 17.170 1.00 0.00 H new ATOM 0 HA GLU A 5 -25.174 -4.536 18.031 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -25.094 -5.607 15.792 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -26.384 -6.217 16.810 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -26.800 -4.136 14.631 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -26.992 -5.859 14.380 1.00 0.00 H new ATOM 73 N ALA A 6 -23.814 -3.067 16.508 1.00 0.00 N ATOM 74 CA ALA A 6 -23.018 -2.027 15.899 1.00 0.00 C ATOM 75 C ALA A 6 -21.773 -2.633 15.291 1.00 0.00 C ATOM 76 O ALA A 6 -20.751 -2.809 15.959 1.00 0.00 O ATOM 77 CB ALA A 6 -22.660 -0.953 16.917 1.00 0.00 C ATOM 0 H ALA A 6 -23.268 -3.833 16.901 1.00 0.00 H new ATOM 0 HA ALA A 6 -23.600 -1.551 15.110 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -22.060 -0.181 16.435 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -23.573 -0.509 17.314 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -22.090 -1.399 17.732 1.00 0.00 H new ATOM 83 N LYS A 7 -21.877 -3.014 14.041 1.00 0.00 N ATOM 84 CA LYS A 7 -20.780 -3.630 13.329 1.00 0.00 C ATOM 85 C LYS A 7 -20.421 -2.802 12.101 1.00 0.00 C ATOM 86 O LYS A 7 -21.261 -2.055 11.588 1.00 0.00 O ATOM 87 CB LYS A 7 -21.152 -5.065 12.907 1.00 0.00 C ATOM 88 CG LYS A 7 -21.207 -6.079 14.046 1.00 0.00 C ATOM 89 CD LYS A 7 -22.483 -5.955 14.862 1.00 0.00 C ATOM 90 CE LYS A 7 -22.527 -6.975 15.988 1.00 0.00 C ATOM 91 NZ LYS A 7 -22.491 -8.371 15.481 1.00 0.00 N ATOM 0 H LYS A 7 -22.726 -2.906 13.486 1.00 0.00 H new ATOM 0 HA LYS A 7 -19.916 -3.673 13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -22.124 -5.042 12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -20.428 -5.410 12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.135 -7.087 13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.345 -5.938 14.698 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -22.554 -4.950 15.278 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -23.347 -6.093 14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -21.683 -6.811 16.658 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.433 -6.827 16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -22.742 -9.026 16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.171 -8.475 14.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -21.534 -8.591 15.138 1.00 0.00 H new ATOM 105 N PRO A 8 -19.173 -2.914 11.619 1.00 0.00 N ATOM 106 CA PRO A 8 -18.714 -2.180 10.436 1.00 0.00 C ATOM 107 C PRO A 8 -19.387 -2.686 9.162 1.00 0.00 C ATOM 108 O PRO A 8 -20.171 -3.641 9.198 1.00 0.00 O ATOM 109 CB PRO A 8 -17.209 -2.462 10.396 1.00 0.00 C ATOM 110 CG PRO A 8 -17.047 -3.750 11.122 1.00 0.00 C ATOM 111 CD PRO A 8 -18.109 -3.766 12.183 1.00 0.00 C ATOM 0 HA PRO A 8 -18.953 -1.118 10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.847 -2.537 9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.643 -1.663 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.160 -4.596 10.444 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.053 -3.826 11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -18.466 -4.777 12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.738 -3.371 13.129 1.00 0.00 H new ATOM 119 N SER A 9 -19.065 -2.059 8.029 1.00 0.00 N ATOM 120 CA SER A 9 -19.663 -2.413 6.746 1.00 0.00 C ATOM 121 C SER A 9 -21.189 -2.241 6.803 1.00 0.00 C ATOM 122 O SER A 9 -21.953 -3.038 6.241 1.00 0.00 O ATOM 123 CB SER A 9 -19.281 -3.857 6.357 1.00 0.00 C ATOM 124 OG SER A 9 -19.790 -4.203 5.079 1.00 0.00 O ATOM 0 H SER A 9 -18.388 -1.298 7.977 1.00 0.00 H new ATOM 0 HA SER A 9 -19.275 -1.742 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.196 -3.960 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.668 -4.551 7.104 1.00 0.00 H new ATOM 0 HG SER A 9 -20.728 -3.927 5.015 1.00 0.00 H new ATOM 130 N THR A 10 -21.633 -1.176 7.449 1.00 0.00 N ATOM 131 CA THR A 10 -23.037 -0.892 7.604 1.00 0.00 C ATOM 132 C THR A 10 -23.235 0.597 7.364 1.00 0.00 C ATOM 133 O THR A 10 -22.257 1.358 7.342 1.00 0.00 O ATOM 134 CB THR A 10 -23.515 -1.244 9.039 1.00 0.00 C ATOM 135 OG1 THR A 10 -22.951 -2.495 9.450 1.00 0.00 O ATOM 136 CG2 THR A 10 -25.032 -1.346 9.101 1.00 0.00 C ATOM 0 H THR A 10 -21.020 -0.484 7.881 1.00 0.00 H new ATOM 0 HA THR A 10 -23.613 -1.488 6.896 1.00 0.00 H new ATOM 0 HB THR A 10 -23.185 -0.447 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 10 -22.300 -2.341 10.166 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.339 -1.593 10.117 1.00 0.00 H new ATOM 0 HG22 THR A 10 -25.473 -0.392 8.811 1.00 0.00 H new ATOM 0 HG23 THR A 10 -25.372 -2.125 8.419 1.00 0.00 H new ATOM 144 N GLU A 11 -24.464 1.033 7.165 1.00 0.00 N ATOM 145 CA GLU A 11 -24.726 2.446 6.973 1.00 0.00 C ATOM 146 C GLU A 11 -24.459 3.234 8.253 1.00 0.00 C ATOM 147 O GLU A 11 -24.106 2.663 9.294 1.00 0.00 O ATOM 148 CB GLU A 11 -26.148 2.678 6.482 1.00 0.00 C ATOM 149 CG GLU A 11 -26.378 2.196 5.063 1.00 0.00 C ATOM 150 CD GLU A 11 -27.659 2.727 4.477 1.00 0.00 C ATOM 151 OE1 GLU A 11 -27.657 3.875 3.979 1.00 0.00 O ATOM 152 OE2 GLU A 11 -28.672 2.007 4.506 1.00 0.00 O ATOM 0 H GLU A 11 -25.290 0.435 7.132 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.041 2.808 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -26.843 2.168 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -26.375 3.743 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -25.540 2.504 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -26.401 1.106 5.052 1.00 0.00 H new ATOM 159 N ASP A 12 -24.621 4.536 8.183 1.00 0.00 N ATOM 160 CA ASP A 12 -24.336 5.399 9.315 1.00 0.00 C ATOM 161 C ASP A 12 -25.445 5.316 10.359 1.00 0.00 C ATOM 162 O ASP A 12 -26.471 4.662 10.147 1.00 0.00 O ATOM 163 CB ASP A 12 -24.149 6.837 8.850 1.00 0.00 C ATOM 164 CG ASP A 12 -23.203 7.612 9.740 1.00 0.00 C ATOM 165 OD1 ASP A 12 -23.640 8.093 10.810 1.00 0.00 O ATOM 166 OD2 ASP A 12 -22.011 7.738 9.368 1.00 0.00 O ATOM 0 H ASP A 12 -24.950 5.026 7.351 1.00 0.00 H new ATOM 0 HA ASP A 12 -23.410 5.057 9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -23.767 6.839 7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -25.117 7.338 8.829 1.00 0.00 H new ATOM 171 N LEU A 13 -25.253 5.982 11.478 1.00 0.00 N ATOM 172 CA LEU A 13 -26.210 5.942 12.567 1.00 0.00 C ATOM 173 C LEU A 13 -26.881 7.298 12.777 1.00 0.00 C ATOM 174 O LEU A 13 -28.106 7.413 12.755 1.00 0.00 O ATOM 175 CB LEU A 13 -25.542 5.457 13.882 1.00 0.00 C ATOM 176 CG LEU A 13 -24.275 6.214 14.348 1.00 0.00 C ATOM 177 CD1 LEU A 13 -24.087 6.068 15.847 1.00 0.00 C ATOM 178 CD2 LEU A 13 -23.033 5.697 13.625 1.00 0.00 C ATOM 0 H LEU A 13 -24.435 6.563 11.659 1.00 0.00 H new ATOM 0 HA LEU A 13 -26.983 5.226 12.290 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -26.283 5.514 14.679 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -25.283 4.405 13.762 1.00 0.00 H new ATOM 0 HG LEU A 13 -24.410 7.268 14.105 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.191 6.607 16.156 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -24.954 6.479 16.364 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.981 5.013 16.099 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -22.156 6.245 13.970 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.904 4.636 13.837 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.151 5.841 12.551 1.00 0.00 H new ATOM 190 N GLY A 14 -26.081 8.334 12.953 1.00 0.00 N ATOM 191 CA GLY A 14 -26.619 9.647 13.223 1.00 0.00 C ATOM 192 C GLY A 14 -25.860 10.334 14.335 1.00 0.00 C ATOM 193 O GLY A 14 -25.317 11.423 14.150 1.00 0.00 O ATOM 0 H GLY A 14 -25.063 8.289 12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -26.572 10.254 12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -27.671 9.562 13.496 1.00 0.00 H new ATOM 197 N ASP A 15 -25.798 9.685 15.495 1.00 0.00 N ATOM 198 CA ASP A 15 -25.069 10.212 16.663 1.00 0.00 C ATOM 199 C ASP A 15 -23.587 9.903 16.543 1.00 0.00 C ATOM 200 O ASP A 15 -22.903 9.655 17.533 1.00 0.00 O ATOM 201 CB ASP A 15 -25.612 9.592 17.957 1.00 0.00 C ATOM 202 CG ASP A 15 -27.021 10.026 18.269 1.00 0.00 C ATOM 203 OD1 ASP A 15 -27.962 9.492 17.650 1.00 0.00 O ATOM 204 OD2 ASP A 15 -27.200 10.907 19.128 1.00 0.00 O ATOM 0 H ASP A 15 -26.246 8.784 15.659 1.00 0.00 H new ATOM 0 HA ASP A 15 -25.212 11.292 16.694 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -25.582 8.506 17.874 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -24.961 9.866 18.787 1.00 0.00 H new ATOM 209 N LYS A 16 -23.094 9.939 15.329 1.00 0.00 N ATOM 210 CA LYS A 16 -21.718 9.618 15.031 1.00 0.00 C ATOM 211 C LYS A 16 -20.774 10.652 15.638 1.00 0.00 C ATOM 212 O LYS A 16 -20.881 11.848 15.361 1.00 0.00 O ATOM 213 CB LYS A 16 -21.548 9.565 13.523 1.00 0.00 C ATOM 214 CG LYS A 16 -20.232 8.993 13.048 1.00 0.00 C ATOM 215 CD LYS A 16 -20.191 8.984 11.538 1.00 0.00 C ATOM 216 CE LYS A 16 -19.051 8.151 11.005 1.00 0.00 C ATOM 217 NZ LYS A 16 -19.113 8.051 9.529 1.00 0.00 N ATOM 0 H LYS A 16 -23.644 10.195 14.509 1.00 0.00 H new ATOM 0 HA LYS A 16 -21.469 8.650 15.466 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -22.359 8.970 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -21.653 10.574 13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.405 9.586 13.439 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.107 7.980 13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.134 8.596 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.094 10.006 11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.101 8.594 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.089 7.153 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.427 7.342 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.071 7.766 9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.885 8.974 9.109 1.00 0.00 H new ATOM 231 N LYS A 17 -19.860 10.191 16.472 1.00 0.00 N ATOM 232 CA LYS A 17 -18.900 11.068 17.118 1.00 0.00 C ATOM 233 C LYS A 17 -17.739 11.418 16.190 1.00 0.00 C ATOM 234 O LYS A 17 -17.727 11.046 15.012 1.00 0.00 O ATOM 235 CB LYS A 17 -18.378 10.437 18.415 1.00 0.00 C ATOM 236 CG LYS A 17 -19.215 10.755 19.653 1.00 0.00 C ATOM 237 CD LYS A 17 -18.723 12.021 20.364 1.00 0.00 C ATOM 238 CE LYS A 17 -18.876 13.271 19.503 1.00 0.00 C ATOM 239 NZ LYS A 17 -18.211 14.449 20.109 1.00 0.00 N ATOM 0 H LYS A 17 -19.762 9.206 16.719 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.418 11.995 17.362 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -18.337 9.355 18.287 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.356 10.777 18.585 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -20.258 10.883 19.363 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -19.177 9.912 20.343 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.280 12.152 21.292 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.675 11.897 20.636 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.454 13.085 18.516 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.935 13.486 19.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.652 15.320 19.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.312 14.411 21.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.201 14.444 19.860 1.00 0.00 H new ATOM 253 N GLU A 18 -16.751 12.118 16.731 1.00 0.00 N ATOM 254 CA GLU A 18 -15.610 12.572 15.955 1.00 0.00 C ATOM 255 C GLU A 18 -14.640 11.429 15.672 1.00 0.00 C ATOM 256 O GLU A 18 -14.875 10.273 16.061 1.00 0.00 O ATOM 257 CB GLU A 18 -14.882 13.733 16.670 1.00 0.00 C ATOM 258 CG GLU A 18 -14.176 13.354 17.977 1.00 0.00 C ATOM 259 CD GLU A 18 -15.131 13.006 19.099 1.00 0.00 C ATOM 260 OE1 GLU A 18 -15.553 13.921 19.836 1.00 0.00 O ATOM 261 OE2 GLU A 18 -15.462 11.817 19.256 1.00 0.00 O ATOM 0 H GLU A 18 -16.720 12.385 17.715 1.00 0.00 H new ATOM 0 HA GLU A 18 -15.988 12.938 15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.145 14.154 15.986 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.606 14.519 16.882 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.519 12.504 17.793 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.543 14.183 18.293 1.00 0.00 H new ATOM 268 N GLY A 19 -13.560 11.740 14.992 1.00 0.00 N ATOM 269 CA GLY A 19 -12.586 10.737 14.661 1.00 0.00 C ATOM 270 C GLY A 19 -12.438 10.597 13.174 1.00 0.00 C ATOM 271 O GLY A 19 -12.829 9.581 12.596 1.00 0.00 O ATOM 0 H GLY A 19 -13.338 12.679 14.660 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.625 11.000 15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.883 9.781 15.092 1.00 0.00 H new ATOM 275 N GLU A 20 -11.887 11.634 12.542 1.00 0.00 N ATOM 276 CA GLU A 20 -11.691 11.661 11.098 1.00 0.00 C ATOM 277 C GLU A 20 -10.955 10.418 10.623 1.00 0.00 C ATOM 278 O GLU A 20 -9.924 10.030 11.178 1.00 0.00 O ATOM 279 CB GLU A 20 -10.926 12.924 10.682 1.00 0.00 C ATOM 280 CG GLU A 20 -9.526 13.028 11.273 1.00 0.00 C ATOM 281 CD GLU A 20 -8.830 14.314 10.901 1.00 0.00 C ATOM 282 OE1 GLU A 20 -8.366 14.434 9.752 1.00 0.00 O ATOM 283 OE2 GLU A 20 -8.747 15.217 11.764 1.00 0.00 O ATOM 0 H GLU A 20 -11.565 12.476 13.019 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.674 11.676 10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.852 12.949 9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.501 13.800 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.588 12.954 12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.928 12.184 10.930 1.00 0.00 H new ATOM 290 N TYR A 21 -11.490 9.785 9.612 1.00 0.00 N ATOM 291 CA TYR A 21 -10.901 8.586 9.082 1.00 0.00 C ATOM 292 C TYR A 21 -11.061 8.542 7.585 1.00 0.00 C ATOM 293 O TYR A 21 -11.757 9.374 6.992 1.00 0.00 O ATOM 294 CB TYR A 21 -11.540 7.343 9.716 1.00 0.00 C ATOM 295 CG TYR A 21 -13.013 7.168 9.394 1.00 0.00 C ATOM 296 CD1 TYR A 21 -13.991 7.818 10.135 1.00 0.00 C ATOM 297 CD2 TYR A 21 -13.425 6.346 8.349 1.00 0.00 C ATOM 298 CE1 TYR A 21 -15.330 7.658 9.846 1.00 0.00 C ATOM 299 CE2 TYR A 21 -14.761 6.182 8.054 1.00 0.00 C ATOM 300 CZ TYR A 21 -15.709 6.840 8.805 1.00 0.00 C ATOM 301 OH TYR A 21 -17.043 6.680 8.515 1.00 0.00 O ATOM 0 H TYR A 21 -12.341 10.085 9.136 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.838 8.592 9.324 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.999 6.459 9.380 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.420 7.398 10.798 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.698 8.460 10.952 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.684 5.827 7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.077 8.171 10.433 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -15.063 5.541 7.239 1.00 0.00 H new ATOM 0 HH TYR A 21 -17.141 6.072 7.753 1.00 0.00 H new ATOM 311 N ILE A 22 -10.431 7.581 6.968 1.00 0.00 N ATOM 312 CA ILE A 22 -10.496 7.416 5.543 1.00 0.00 C ATOM 313 C ILE A 22 -10.452 5.940 5.181 1.00 0.00 C ATOM 314 O ILE A 22 -9.712 5.167 5.762 1.00 0.00 O ATOM 315 CB ILE A 22 -9.347 8.199 4.830 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.998 7.581 3.473 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.113 8.289 5.716 1.00 0.00 C ATOM 318 CD1 ILE A 22 -8.019 8.402 2.663 1.00 0.00 C ATOM 0 H ILE A 22 -9.855 6.886 7.443 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.442 7.831 5.195 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.710 9.210 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.579 6.587 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.914 7.452 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.330 8.839 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.366 8.808 6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.758 7.285 5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.820 7.901 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.443 9.388 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.087 8.510 3.219 1.00 0.00 H new ATOM 330 N LYS A 23 -11.279 5.541 4.258 1.00 0.00 N ATOM 331 CA LYS A 23 -11.293 4.169 3.808 1.00 0.00 C ATOM 332 C LYS A 23 -10.587 4.075 2.468 1.00 0.00 C ATOM 333 O LYS A 23 -10.689 4.973 1.645 1.00 0.00 O ATOM 334 CB LYS A 23 -12.735 3.660 3.702 1.00 0.00 C ATOM 335 CG LYS A 23 -13.601 4.506 2.798 1.00 0.00 C ATOM 336 CD LYS A 23 -15.061 4.106 2.860 1.00 0.00 C ATOM 337 CE LYS A 23 -15.874 4.996 1.953 1.00 0.00 C ATOM 338 NZ LYS A 23 -17.328 4.686 1.979 1.00 0.00 N ATOM 0 H LYS A 23 -11.958 6.146 3.797 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.768 3.543 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.725 2.636 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.178 3.633 4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.502 5.554 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.246 4.417 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.175 3.064 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.426 4.185 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.725 6.035 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.506 4.897 0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.633 4.371 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.510 3.931 2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.860 5.538 2.248 1.00 0.00 H new ATOM 352 N LEU A 24 -9.848 3.020 2.258 1.00 0.00 N ATOM 353 CA LEU A 24 -9.121 2.834 1.006 1.00 0.00 C ATOM 354 C LEU A 24 -9.236 1.406 0.525 1.00 0.00 C ATOM 355 O LEU A 24 -9.463 0.487 1.317 1.00 0.00 O ATOM 356 CB LEU A 24 -7.637 3.193 1.171 1.00 0.00 C ATOM 357 CG LEU A 24 -7.311 4.679 1.350 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.820 4.867 1.564 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.777 5.477 0.138 1.00 0.00 C ATOM 0 H LEU A 24 -9.725 2.266 2.934 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.568 3.500 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.249 2.652 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.098 2.828 0.297 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.840 5.047 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.601 5.927 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.509 4.324 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.277 4.485 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.537 6.531 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.273 5.109 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.855 5.363 0.020 1.00 0.00 H new ATOM 371 N LYS A 25 -9.087 1.204 -0.773 1.00 0.00 N ATOM 372 CA LYS A 25 -9.114 -0.132 -1.317 1.00 0.00 C ATOM 373 C LYS A 25 -7.898 -0.393 -2.179 1.00 0.00 C ATOM 374 O LYS A 25 -7.530 0.411 -3.041 1.00 0.00 O ATOM 375 CB LYS A 25 -10.417 -0.416 -2.095 1.00 0.00 C ATOM 376 CG LYS A 25 -10.413 -1.753 -2.854 1.00 0.00 C ATOM 377 CD LYS A 25 -10.089 -1.586 -4.334 1.00 0.00 C ATOM 378 CE LYS A 25 -11.217 -0.901 -5.090 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.494 -1.651 -5.033 1.00 0.00 N ATOM 0 H LYS A 25 -8.948 1.945 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.088 -0.822 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.254 -0.409 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.588 0.393 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.683 -2.422 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.389 -2.228 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.174 -1.003 -4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.898 -2.564 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.370 0.096 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.923 -0.774 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.861 -1.785 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.332 -2.579 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.186 -1.116 -4.470 1.00 0.00 H new ATOM 393 N VAL A 26 -7.257 -1.506 -1.929 1.00 0.00 N ATOM 394 CA VAL A 26 -6.127 -1.921 -2.711 1.00 0.00 C ATOM 395 C VAL A 26 -6.599 -2.878 -3.792 1.00 0.00 C ATOM 396 O VAL A 26 -7.317 -3.840 -3.509 1.00 0.00 O ATOM 397 CB VAL A 26 -5.048 -2.600 -1.830 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.926 -3.164 -2.683 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.498 -1.611 -0.813 1.00 0.00 C ATOM 0 H VAL A 26 -7.506 -2.148 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.673 -1.040 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.515 -3.428 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.182 -3.635 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.331 -3.904 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.459 -2.358 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.741 -2.102 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.051 -0.764 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.308 -1.258 -0.175 1.00 0.00 H new ATOM 409 N ILE A 27 -6.217 -2.613 -5.023 1.00 0.00 N ATOM 410 CA ILE A 27 -6.634 -3.434 -6.140 1.00 0.00 C ATOM 411 C ILE A 27 -5.417 -3.965 -6.898 1.00 0.00 C ATOM 412 O ILE A 27 -4.379 -3.306 -6.975 1.00 0.00 O ATOM 413 CB ILE A 27 -7.579 -2.654 -7.109 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.099 -3.575 -8.224 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.871 -1.436 -7.699 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.091 -2.915 -9.158 1.00 0.00 C ATOM 0 H ILE A 27 -5.614 -1.830 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.195 -4.277 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.435 -2.301 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.252 -3.936 -8.807 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.569 -4.448 -7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.550 -0.910 -8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.566 -0.767 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.991 -1.760 -8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.409 -3.631 -9.916 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.958 -2.579 -8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.621 -2.059 -9.642 1.00 0.00 H new ATOM 428 N GLY A 28 -5.534 -5.168 -7.425 1.00 0.00 N ATOM 429 CA GLY A 28 -4.458 -5.759 -8.184 1.00 0.00 C ATOM 430 C GLY A 28 -4.929 -6.201 -9.546 1.00 0.00 C ATOM 431 O GLY A 28 -6.134 -6.282 -9.793 1.00 0.00 O ATOM 0 H GLY A 28 -6.365 -5.753 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.648 -5.038 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.053 -6.613 -7.641 1.00 0.00 H new ATOM 435 N GLN A 29 -3.991 -6.509 -10.444 1.00 0.00 N ATOM 436 CA GLN A 29 -4.339 -6.941 -11.810 1.00 0.00 C ATOM 437 C GLN A 29 -5.135 -8.255 -11.815 1.00 0.00 C ATOM 438 O GLN A 29 -5.702 -8.644 -12.828 1.00 0.00 O ATOM 439 CB GLN A 29 -3.085 -7.092 -12.691 1.00 0.00 C ATOM 440 CG GLN A 29 -2.223 -8.315 -12.377 1.00 0.00 C ATOM 441 CD GLN A 29 -1.311 -8.118 -11.188 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.191 -7.665 -11.332 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.775 -8.476 -10.010 1.00 0.00 N ATOM 0 H GLN A 29 -2.989 -6.470 -10.257 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.971 -6.157 -12.227 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.396 -7.142 -13.735 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.473 -6.197 -12.583 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.873 -9.170 -12.189 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.620 -8.559 -13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.719 -8.852 -9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.190 -8.377 -9.180 1.00 0.00 H new ATOM 452 N ASP A 30 -5.176 -8.934 -10.676 1.00 0.00 N ATOM 453 CA ASP A 30 -5.899 -10.199 -10.555 1.00 0.00 C ATOM 454 C ASP A 30 -7.379 -9.941 -10.238 1.00 0.00 C ATOM 455 O ASP A 30 -8.144 -10.866 -9.958 1.00 0.00 O ATOM 456 CB ASP A 30 -5.249 -11.062 -9.453 1.00 0.00 C ATOM 457 CG ASP A 30 -5.852 -12.454 -9.335 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.586 -13.300 -10.215 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.582 -12.716 -8.353 1.00 0.00 O ATOM 0 H ASP A 30 -4.716 -8.630 -9.818 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.844 -10.735 -11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.182 -11.153 -9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.348 -10.550 -8.496 1.00 0.00 H new ATOM 464 N SER A 31 -7.783 -8.664 -10.306 1.00 0.00 N ATOM 465 CA SER A 31 -9.153 -8.236 -9.989 1.00 0.00 C ATOM 466 C SER A 31 -9.383 -8.331 -8.478 1.00 0.00 C ATOM 467 O SER A 31 -10.516 -8.316 -7.981 1.00 0.00 O ATOM 468 CB SER A 31 -10.191 -9.075 -10.777 1.00 0.00 C ATOM 469 OG SER A 31 -11.508 -8.555 -10.647 1.00 0.00 O ATOM 0 H SER A 31 -7.168 -7.898 -10.583 1.00 0.00 H new ATOM 0 HA SER A 31 -9.283 -7.198 -10.294 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.913 -9.098 -11.831 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.171 -10.104 -10.419 1.00 0.00 H new ATOM 0 HG SER A 31 -11.663 -8.287 -9.717 1.00 0.00 H new ATOM 475 N SER A 32 -8.285 -8.420 -7.748 1.00 0.00 N ATOM 476 CA SER A 32 -8.313 -8.502 -6.312 1.00 0.00 C ATOM 477 C SER A 32 -8.544 -7.124 -5.716 1.00 0.00 C ATOM 478 O SER A 32 -7.944 -6.144 -6.150 1.00 0.00 O ATOM 479 CB SER A 32 -6.988 -9.066 -5.814 1.00 0.00 C ATOM 480 OG SER A 32 -6.599 -10.185 -6.588 1.00 0.00 O ATOM 0 H SER A 32 -7.346 -8.437 -8.145 1.00 0.00 H new ATOM 0 HA SER A 32 -9.127 -9.158 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.217 -8.297 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.081 -9.356 -4.767 1.00 0.00 H new ATOM 0 HG SER A 32 -5.746 -10.533 -6.255 1.00 0.00 H new ATOM 486 N GLU A 33 -9.415 -7.045 -4.736 1.00 0.00 N ATOM 487 CA GLU A 33 -9.681 -5.794 -4.079 1.00 0.00 C ATOM 488 C GLU A 33 -9.927 -5.991 -2.598 1.00 0.00 C ATOM 489 O GLU A 33 -10.721 -6.835 -2.185 1.00 0.00 O ATOM 490 CB GLU A 33 -10.847 -5.050 -4.728 1.00 0.00 C ATOM 491 CG GLU A 33 -12.181 -5.755 -4.645 1.00 0.00 C ATOM 492 CD GLU A 33 -13.312 -4.862 -5.072 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.675 -3.952 -4.295 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.831 -5.043 -6.188 1.00 0.00 O ATOM 0 H GLU A 33 -9.950 -7.836 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.790 -5.177 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.941 -4.071 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.609 -4.878 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.162 -6.644 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.351 -6.093 -3.623 1.00 0.00 H new ATOM 501 N ILE A 34 -9.228 -5.226 -1.801 1.00 0.00 N ATOM 502 CA ILE A 34 -9.376 -5.276 -0.364 1.00 0.00 C ATOM 503 C ILE A 34 -9.660 -3.891 0.182 1.00 0.00 C ATOM 504 O ILE A 34 -8.946 -2.934 -0.117 1.00 0.00 O ATOM 505 CB ILE A 34 -8.121 -5.858 0.320 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.850 -5.230 -0.266 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.094 -7.379 0.188 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.567 -5.728 0.359 1.00 0.00 C ATOM 0 H ILE A 34 -8.538 -4.549 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.216 -5.935 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.159 -5.614 1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.820 -5.430 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.904 -4.148 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.202 -7.771 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.981 -7.801 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.080 -7.652 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.717 -5.234 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.571 -5.504 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.486 -6.805 0.215 1.00 0.00 H new ATOM 520 N HIS A 35 -10.713 -3.773 0.961 1.00 0.00 N ATOM 521 CA HIS A 35 -11.104 -2.493 1.531 1.00 0.00 C ATOM 522 C HIS A 35 -10.662 -2.427 2.982 1.00 0.00 C ATOM 523 O HIS A 35 -10.962 -3.323 3.772 1.00 0.00 O ATOM 524 CB HIS A 35 -12.632 -2.295 1.462 1.00 0.00 C ATOM 525 CG HIS A 35 -13.246 -2.312 0.083 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.400 -1.633 -0.221 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.896 -2.966 -1.055 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.736 -1.866 -1.471 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.840 -2.673 -2.001 1.00 0.00 N ATOM 0 H HIS A 35 -11.320 -4.551 1.218 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.624 -1.704 0.952 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.106 -3.076 2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.875 -1.343 1.933 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.032 -3.600 -1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.601 -1.464 -1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.849 -3.022 -2.959 1.00 0.00 H new ATOM 538 N PHE A 36 -9.949 -1.384 3.340 1.00 0.00 N ATOM 539 CA PHE A 36 -9.484 -1.220 4.705 1.00 0.00 C ATOM 540 C PHE A 36 -9.771 0.174 5.220 1.00 0.00 C ATOM 541 O PHE A 36 -9.818 1.146 4.458 1.00 0.00 O ATOM 542 CB PHE A 36 -7.991 -1.520 4.826 1.00 0.00 C ATOM 543 CG PHE A 36 -7.660 -2.987 4.844 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.635 -3.682 6.042 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.369 -3.666 3.674 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.328 -5.027 6.071 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.062 -5.013 3.700 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.042 -5.693 4.899 1.00 0.00 C ATOM 0 H PHE A 36 -9.676 -0.633 2.706 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.032 -1.937 5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.468 -1.051 3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.612 -1.061 5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.858 -3.165 6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.382 -3.138 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.312 -5.557 7.012 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.838 -5.533 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.803 -6.746 4.920 1.00 0.00 H new ATOM 558 N LYS A 37 -9.971 0.271 6.514 1.00 0.00 N ATOM 559 CA LYS A 37 -10.234 1.539 7.154 1.00 0.00 C ATOM 560 C LYS A 37 -8.937 2.077 7.722 1.00 0.00 C ATOM 561 O LYS A 37 -8.378 1.520 8.668 1.00 0.00 O ATOM 562 CB LYS A 37 -11.290 1.369 8.260 1.00 0.00 C ATOM 563 CG LYS A 37 -12.036 2.660 8.638 1.00 0.00 C ATOM 564 CD LYS A 37 -11.170 3.639 9.431 1.00 0.00 C ATOM 565 CE LYS A 37 -10.893 3.133 10.838 1.00 0.00 C ATOM 566 NZ LYS A 37 -10.088 4.099 11.632 1.00 0.00 N ATOM 0 H LYS A 37 -9.956 -0.525 7.152 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.628 2.248 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.019 0.625 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.803 0.972 9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.389 3.149 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.918 2.405 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.226 3.796 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.670 4.606 9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.838 2.944 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.365 2.181 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.923 3.714 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.175 4.260 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.602 5.000 11.708 1.00 0.00 H new ATOM 580 N VAL A 38 -8.453 3.148 7.152 1.00 0.00 N ATOM 581 CA VAL A 38 -7.202 3.732 7.564 1.00 0.00 C ATOM 582 C VAL A 38 -7.425 5.118 8.158 1.00 0.00 C ATOM 583 O VAL A 38 -8.544 5.641 8.159 1.00 0.00 O ATOM 584 CB VAL A 38 -6.202 3.812 6.376 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.810 2.419 5.911 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.788 4.609 5.215 1.00 0.00 C ATOM 0 H VAL A 38 -8.914 3.642 6.388 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.771 3.088 8.330 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.309 4.329 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.110 2.497 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.339 1.880 6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.700 1.880 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.066 4.648 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.702 4.128 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.015 5.622 5.547 1.00 0.00 H new HETATM 596 OH ALY A 39 -5.762 10.353 11.505 1.00 0.00 O HETATM 597 CH ALY A 39 -4.636 10.440 12.005 1.00 0.00 C HETATM 598 CH3 ALY A 39 -4.020 11.768 12.331 1.00 0.00 C HETATM 599 NZ ALY A 39 -3.905 9.372 12.270 1.00 0.00 N HETATM 600 CE ALY A 39 -4.416 8.199 12.971 1.00 0.00 C HETATM 601 CD ALY A 39 -4.001 6.901 12.292 1.00 0.00 C HETATM 602 CG ALY A 39 -4.430 6.868 10.829 1.00 0.00 C HETATM 603 CB ALY A 39 -5.930 7.091 10.678 1.00 0.00 C HETATM 604 CA ALY A 39 -6.464 7.033 9.228 1.00 0.00 C HETATM 605 N ALY A 39 -6.381 5.699 8.694 1.00 0.00 N HETATM 606 C ALY A 39 -5.712 7.986 8.306 1.00 0.00 C HETATM 607 O ALY A 39 -5.470 7.668 7.145 1.00 0.00 O HETATM 0 HH33 ALY A 39 -3.932 12.361 11.421 1.00 0.00 H new HETATM 0 HH32 ALY A 39 -4.649 12.295 13.048 1.00 0.00 H new HETATM 0 HH31 ALY A 39 -3.030 11.614 12.761 1.00 0.00 H new HETATM 0 HZ ALY A 39 -2.931 9.367 11.968 1.00 0.00 H new HETATM 0 HG3 ALY A 39 -4.159 5.907 10.391 1.00 0.00 H new HETATM 0 HG2 ALY A 39 -3.890 7.635 10.274 1.00 0.00 H new HETATM 0 HE3 ALY A 39 -5.504 8.251 13.019 1.00 0.00 H new HETATM 0 HE2 ALY A 39 -4.051 8.203 13.998 1.00 0.00 H new HETATM 0 HD3 ALY A 39 -4.443 6.056 12.820 1.00 0.00 H new HETATM 0 HD2 ALY A 39 -2.919 6.786 12.357 1.00 0.00 H new HETATM 0 HCA ALY A 39 -7.509 7.341 9.272 1.00 0.00 H new HETATM 0 HB3 ALY A 39 -6.180 8.064 11.101 1.00 0.00 H new HETATM 0 HB2 ALY A 39 -6.454 6.341 11.271 1.00 0.00 H new ATOM 622 N MET A 40 -5.297 9.118 8.811 1.00 0.00 N ATOM 623 CA MET A 40 -4.662 10.119 7.973 1.00 0.00 C ATOM 624 C MET A 40 -3.180 9.799 7.782 1.00 0.00 C ATOM 625 O MET A 40 -2.615 10.013 6.714 1.00 0.00 O ATOM 626 CB MET A 40 -4.841 11.515 8.586 1.00 0.00 C ATOM 627 CG MET A 40 -4.409 12.674 7.691 1.00 0.00 C ATOM 628 SD MET A 40 -5.661 13.169 6.461 1.00 0.00 S ATOM 629 CE MET A 40 -5.712 11.753 5.357 1.00 0.00 C ATOM 0 H MET A 40 -5.384 9.376 9.794 1.00 0.00 H new ATOM 0 HA MET A 40 -5.140 10.107 6.994 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.891 11.649 8.846 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.273 11.563 9.515 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.170 13.534 8.317 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.493 12.395 7.170 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.887 12.093 4.336 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.762 11.221 5.404 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.518 11.084 5.660 1.00 0.00 H new ATOM 639 N THR A 41 -2.562 9.248 8.803 1.00 0.00 N ATOM 640 CA THR A 41 -1.139 8.968 8.779 1.00 0.00 C ATOM 641 C THR A 41 -0.816 7.461 8.742 1.00 0.00 C ATOM 642 O THR A 41 0.303 7.051 9.066 1.00 0.00 O ATOM 643 CB THR A 41 -0.472 9.609 9.997 1.00 0.00 C ATOM 644 OG1 THR A 41 -1.270 9.359 11.167 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.330 11.106 9.790 1.00 0.00 C ATOM 0 H THR A 41 -3.027 8.981 9.671 1.00 0.00 H new ATOM 0 HA THR A 41 -0.747 9.395 7.856 1.00 0.00 H new ATOM 0 HB THR A 41 0.519 9.175 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.273 10.156 11.737 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.146 11.551 10.664 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.282 11.295 8.908 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.316 11.549 9.649 1.00 0.00 H new ATOM 653 N THR A 42 -1.774 6.642 8.320 1.00 0.00 N ATOM 654 CA THR A 42 -1.563 5.194 8.248 1.00 0.00 C ATOM 655 C THR A 42 -0.501 4.828 7.210 1.00 0.00 C ATOM 656 O THR A 42 -0.581 5.234 6.051 1.00 0.00 O ATOM 657 CB THR A 42 -2.867 4.452 7.885 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.870 4.740 8.850 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.642 2.948 7.832 1.00 0.00 C ATOM 0 H THR A 42 -2.700 6.950 8.024 1.00 0.00 H new ATOM 0 HA THR A 42 -1.226 4.887 9.238 1.00 0.00 H new ATOM 0 HB THR A 42 -3.188 4.793 6.901 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.758 4.150 9.624 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.576 2.449 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.889 2.719 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.300 2.597 8.805 1.00 0.00 H new ATOM 667 N HIS A 43 0.500 4.067 7.627 1.00 0.00 N ATOM 668 CA HIS A 43 1.507 3.578 6.705 1.00 0.00 C ATOM 669 C HIS A 43 0.924 2.422 5.931 1.00 0.00 C ATOM 670 O HIS A 43 0.751 1.329 6.461 1.00 0.00 O ATOM 671 CB HIS A 43 2.783 3.138 7.443 1.00 0.00 C ATOM 672 CG HIS A 43 3.605 4.277 7.963 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.971 4.215 8.119 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.243 5.513 8.363 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.412 5.364 8.595 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.381 6.167 8.751 1.00 0.00 N ATOM 0 H HIS A 43 0.634 3.777 8.596 1.00 0.00 H new ATOM 0 HA HIS A 43 1.790 4.383 6.027 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.505 2.493 8.276 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.394 2.540 6.767 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.240 5.913 8.375 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.441 5.604 8.818 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.423 7.123 9.104 1.00 0.00 H new ATOM 685 N LEU A 44 0.617 2.653 4.671 1.00 0.00 N ATOM 686 CA LEU A 44 -0.047 1.645 3.840 1.00 0.00 C ATOM 687 C LEU A 44 0.827 0.425 3.594 1.00 0.00 C ATOM 688 O LEU A 44 0.357 -0.593 3.100 1.00 0.00 O ATOM 689 CB LEU A 44 -0.497 2.250 2.517 1.00 0.00 C ATOM 690 CG LEU A 44 -1.571 3.328 2.622 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.897 3.883 1.256 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.825 2.776 3.287 1.00 0.00 C ATOM 0 H LEU A 44 0.814 3.531 4.190 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.923 1.307 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.373 2.675 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.871 1.449 1.879 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.184 4.137 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.665 4.651 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.000 4.319 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.262 3.081 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.578 3.561 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.215 1.947 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.580 2.424 4.289 1.00 0.00 H new ATOM 704 N LYS A 45 2.089 0.520 3.946 1.00 0.00 N ATOM 705 CA LYS A 45 3.005 -0.588 3.790 1.00 0.00 C ATOM 706 C LYS A 45 2.554 -1.771 4.637 1.00 0.00 C ATOM 707 O LYS A 45 2.637 -2.924 4.209 1.00 0.00 O ATOM 708 CB LYS A 45 4.426 -0.139 4.150 1.00 0.00 C ATOM 709 CG LYS A 45 5.434 -1.266 4.412 1.00 0.00 C ATOM 710 CD LYS A 45 5.504 -2.269 3.271 1.00 0.00 C ATOM 711 CE LYS A 45 6.064 -1.673 1.997 1.00 0.00 C ATOM 712 NZ LYS A 45 7.500 -1.995 1.818 1.00 0.00 N ATOM 0 H LYS A 45 2.507 1.360 4.345 1.00 0.00 H new ATOM 0 HA LYS A 45 3.008 -0.915 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.807 0.483 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.374 0.491 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.422 -0.834 4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.161 -1.786 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.123 -3.114 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.505 -2.659 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.499 -2.047 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.935 -0.591 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.890 -1.422 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.015 -1.785 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.604 -3.004 1.589 1.00 0.00 H new ATOM 726 N LYS A 46 2.027 -1.484 5.816 1.00 0.00 N ATOM 727 CA LYS A 46 1.549 -2.528 6.702 1.00 0.00 C ATOM 728 C LYS A 46 0.349 -3.235 6.084 1.00 0.00 C ATOM 729 O LYS A 46 0.151 -4.430 6.272 1.00 0.00 O ATOM 730 CB LYS A 46 1.217 -1.947 8.093 1.00 0.00 C ATOM 731 CG LYS A 46 -0.048 -1.085 8.177 1.00 0.00 C ATOM 732 CD LYS A 46 -1.308 -1.924 8.386 1.00 0.00 C ATOM 733 CE LYS A 46 -1.269 -2.677 9.707 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.518 -3.432 9.954 1.00 0.00 N ATOM 0 H LYS A 46 1.920 -0.537 6.180 1.00 0.00 H new ATOM 0 HA LYS A 46 2.337 -3.269 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.116 -2.774 8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.064 -1.347 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.053 -0.374 8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.150 -0.502 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.185 -1.277 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.413 -2.634 7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.424 -3.365 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.105 -1.971 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.448 -3.930 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.322 -2.773 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.662 -4.124 9.191 1.00 0.00 H new ATOM 748 N LEU A 47 -0.425 -2.489 5.302 1.00 0.00 N ATOM 749 CA LEU A 47 -1.607 -3.020 4.649 1.00 0.00 C ATOM 750 C LEU A 47 -1.168 -3.876 3.476 1.00 0.00 C ATOM 751 O LEU A 47 -1.663 -4.986 3.265 1.00 0.00 O ATOM 752 CB LEU A 47 -2.510 -1.857 4.166 1.00 0.00 C ATOM 753 CG LEU A 47 -3.944 -2.218 3.710 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.755 -0.955 3.472 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.940 -3.068 2.443 1.00 0.00 C ATOM 0 H LEU A 47 -0.248 -1.504 5.106 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.181 -3.628 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.586 -1.130 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.007 -1.360 3.336 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.400 -2.803 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.762 -1.224 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.810 -0.378 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.276 -0.355 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.966 -3.299 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.454 -2.518 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.397 -3.995 2.628 1.00 0.00 H new ATOM 767 N LYS A 48 -0.217 -3.360 2.710 1.00 0.00 N ATOM 768 CA LYS A 48 0.297 -4.060 1.556 1.00 0.00 C ATOM 769 C LYS A 48 0.900 -5.390 1.961 1.00 0.00 C ATOM 770 O LYS A 48 0.599 -6.421 1.363 1.00 0.00 O ATOM 771 CB LYS A 48 1.335 -3.210 0.826 1.00 0.00 C ATOM 772 CG LYS A 48 0.753 -2.294 -0.240 1.00 0.00 C ATOM 773 CD LYS A 48 -0.302 -1.361 0.314 1.00 0.00 C ATOM 774 CE LYS A 48 -0.857 -0.469 -0.766 1.00 0.00 C ATOM 775 NZ LYS A 48 -1.388 -1.263 -1.905 1.00 0.00 N ATOM 0 H LYS A 48 0.213 -2.450 2.875 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.535 -4.249 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.871 -2.604 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.067 -3.870 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.555 -1.707 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.318 -2.898 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.109 -1.943 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.128 -0.751 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.651 0.154 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.076 0.203 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.270 -0.832 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.688 -1.277 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.578 -2.236 -1.591 1.00 0.00 H new ATOM 789 N GLU A 49 1.765 -5.374 2.969 1.00 0.00 N ATOM 790 CA GLU A 49 2.364 -6.596 3.469 1.00 0.00 C ATOM 791 C GLU A 49 1.306 -7.596 3.937 1.00 0.00 C ATOM 792 O GLU A 49 1.442 -8.793 3.701 1.00 0.00 O ATOM 793 CB GLU A 49 3.381 -6.305 4.571 1.00 0.00 C ATOM 794 CG GLU A 49 4.696 -5.754 4.048 1.00 0.00 C ATOM 795 CD GLU A 49 5.774 -5.719 5.106 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.264 -6.796 5.486 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.152 -4.616 5.547 1.00 0.00 O ATOM 0 H GLU A 49 2.064 -4.527 3.452 1.00 0.00 H new ATOM 0 HA GLU A 49 2.898 -7.058 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.950 -5.591 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.575 -7.222 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.034 -6.364 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.536 -4.746 3.664 1.00 0.00 H new ATOM 804 N SER A 50 0.240 -7.111 4.585 1.00 0.00 N ATOM 805 CA SER A 50 -0.857 -7.990 5.001 1.00 0.00 C ATOM 806 C SER A 50 -1.422 -8.739 3.788 1.00 0.00 C ATOM 807 O SER A 50 -1.630 -9.954 3.826 1.00 0.00 O ATOM 808 CB SER A 50 -1.965 -7.183 5.687 1.00 0.00 C ATOM 809 OG SER A 50 -1.484 -6.552 6.860 1.00 0.00 O ATOM 0 H SER A 50 0.115 -6.129 4.830 1.00 0.00 H new ATOM 0 HA SER A 50 -0.467 -8.716 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.351 -6.432 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.796 -7.842 5.939 1.00 0.00 H new ATOM 0 HG SER A 50 -0.956 -5.764 6.614 1.00 0.00 H new ATOM 815 N TYR A 51 -1.641 -8.010 2.699 1.00 0.00 N ATOM 816 CA TYR A 51 -2.141 -8.592 1.463 1.00 0.00 C ATOM 817 C TYR A 51 -1.139 -9.574 0.869 1.00 0.00 C ATOM 818 O TYR A 51 -1.517 -10.636 0.375 1.00 0.00 O ATOM 819 CB TYR A 51 -2.492 -7.479 0.450 1.00 0.00 C ATOM 820 CG TYR A 51 -2.094 -7.775 -0.985 1.00 0.00 C ATOM 821 CD1 TYR A 51 -2.891 -8.563 -1.810 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.909 -7.273 -1.505 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.513 -8.836 -3.112 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.527 -7.544 -2.800 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.326 -8.322 -3.598 1.00 0.00 C ATOM 826 OH TYR A 51 -0.931 -8.595 -4.888 1.00 0.00 O ATOM 0 H TYR A 51 -1.477 -7.004 2.650 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.049 -9.150 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.567 -7.301 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.006 -6.555 0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.817 -8.967 -1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.275 -6.659 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.141 -9.446 -3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.399 -7.145 -3.186 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.025 -9.555 -5.063 1.00 0.00 H new ATOM 836 N CYS A 52 0.144 -9.250 0.930 1.00 0.00 N ATOM 837 CA CYS A 52 1.156 -10.105 0.354 1.00 0.00 C ATOM 838 C CYS A 52 1.287 -11.387 1.153 1.00 0.00 C ATOM 839 O CYS A 52 1.290 -12.470 0.603 1.00 0.00 O ATOM 840 CB CYS A 52 2.502 -9.378 0.309 1.00 0.00 C ATOM 841 SG CYS A 52 2.442 -7.772 -0.509 1.00 0.00 S ATOM 0 H CYS A 52 0.502 -8.403 1.372 1.00 0.00 H new ATOM 0 HA CYS A 52 0.855 -10.356 -0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.864 -9.242 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.227 -10.009 -0.205 1.00 0.00 H new ATOM 0 HG CYS A 52 1.564 -7.017 0.082 1.00 0.00 H new ATOM 847 N GLN A 53 1.356 -11.260 2.467 1.00 0.00 N ATOM 848 CA GLN A 53 1.518 -12.409 3.348 1.00 0.00 C ATOM 849 C GLN A 53 0.295 -13.321 3.315 1.00 0.00 C ATOM 850 O GLN A 53 0.423 -14.541 3.337 1.00 0.00 O ATOM 851 CB GLN A 53 1.810 -11.952 4.775 1.00 0.00 C ATOM 852 CG GLN A 53 3.119 -11.187 4.915 1.00 0.00 C ATOM 853 CD GLN A 53 4.337 -12.042 4.601 1.00 0.00 C ATOM 854 OE1 GLN A 53 4.903 -12.682 5.487 1.00 0.00 O ATOM 855 NE2 GLN A 53 4.748 -12.053 3.346 1.00 0.00 N ATOM 0 H GLN A 53 1.302 -10.365 2.953 1.00 0.00 H new ATOM 0 HA GLN A 53 2.368 -12.987 2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.991 -11.320 5.120 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.837 -12.824 5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.104 -10.325 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.203 -10.802 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.250 -11.508 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.563 -12.606 3.081 1.00 0.00 H new ATOM 864 N ARG A 54 -0.896 -12.733 3.257 1.00 0.00 N ATOM 865 CA ARG A 54 -2.127 -13.517 3.196 1.00 0.00 C ATOM 866 C ARG A 54 -2.218 -14.288 1.877 1.00 0.00 C ATOM 867 O ARG A 54 -2.724 -15.407 1.826 1.00 0.00 O ATOM 868 CB ARG A 54 -3.354 -12.613 3.371 1.00 0.00 C ATOM 869 CG ARG A 54 -4.672 -13.359 3.275 1.00 0.00 C ATOM 870 CD ARG A 54 -5.857 -12.451 3.529 1.00 0.00 C ATOM 871 NE ARG A 54 -5.926 -11.991 4.917 1.00 0.00 N ATOM 872 CZ ARG A 54 -7.053 -11.933 5.635 1.00 0.00 C ATOM 873 NH1 ARG A 54 -8.217 -12.282 5.090 1.00 0.00 N ATOM 874 NH2 ARG A 54 -7.017 -11.519 6.893 1.00 0.00 N ATOM 0 H ARG A 54 -1.036 -11.723 3.251 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.108 -14.238 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.295 -12.117 4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.331 -11.832 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.764 -13.807 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.680 -14.176 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.797 -11.588 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.776 -12.981 3.280 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.059 -11.696 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.252 -12.596 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.073 -12.236 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.130 -11.244 7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.877 -11.475 7.440 1.00 0.00 H new ATOM 888 N GLN A 55 -1.712 -13.691 0.813 1.00 0.00 N ATOM 889 CA GLN A 55 -1.735 -14.316 -0.512 1.00 0.00 C ATOM 890 C GLN A 55 -0.467 -15.152 -0.741 1.00 0.00 C ATOM 891 O GLN A 55 -0.351 -15.895 -1.724 1.00 0.00 O ATOM 892 CB GLN A 55 -1.868 -13.233 -1.592 1.00 0.00 C ATOM 893 CG GLN A 55 -3.300 -12.743 -1.855 1.00 0.00 C ATOM 894 CD GLN A 55 -4.164 -12.648 -0.611 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.845 -13.602 -0.241 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.143 -11.506 0.038 1.00 0.00 N ATOM 0 H GLN A 55 -1.276 -12.769 0.834 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.594 -14.985 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.256 -12.378 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.457 -13.620 -2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.255 -11.762 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.778 -13.418 -2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.565 -10.737 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.705 -11.388 0.881 1.00 0.00 H new ATOM 905 N GLY A 56 0.480 -15.012 0.172 1.00 0.00 N ATOM 906 CA GLY A 56 1.739 -15.738 0.096 1.00 0.00 C ATOM 907 C GLY A 56 2.631 -15.215 -1.015 1.00 0.00 C ATOM 908 O GLY A 56 3.346 -15.979 -1.673 1.00 0.00 O ATOM 0 H GLY A 56 0.400 -14.397 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.262 -15.657 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.538 -16.797 -0.069 1.00 0.00 H new ATOM 912 N VAL A 57 2.593 -13.913 -1.227 1.00 0.00 N ATOM 913 CA VAL A 57 3.374 -13.276 -2.271 1.00 0.00 C ATOM 914 C VAL A 57 4.582 -12.571 -1.668 1.00 0.00 C ATOM 915 O VAL A 57 4.453 -11.839 -0.685 1.00 0.00 O ATOM 916 CB VAL A 57 2.544 -12.216 -3.036 1.00 0.00 C ATOM 917 CG1 VAL A 57 3.190 -11.863 -4.365 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.108 -12.666 -3.227 1.00 0.00 C ATOM 0 H VAL A 57 2.021 -13.268 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 57 3.686 -14.061 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 57 2.526 -11.313 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.583 -11.117 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.188 -11.461 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.263 -12.758 -4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.555 -11.898 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.091 -13.595 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.645 -12.829 -2.254 1.00 0.00 H new ATOM 928 N PRO A 58 5.766 -12.792 -2.239 1.00 0.00 N ATOM 929 CA PRO A 58 6.979 -12.117 -1.803 1.00 0.00 C ATOM 930 C PRO A 58 6.929 -10.622 -2.144 1.00 0.00 C ATOM 931 O PRO A 58 6.594 -10.236 -3.275 1.00 0.00 O ATOM 932 CB PRO A 58 8.095 -12.819 -2.587 1.00 0.00 C ATOM 933 CG PRO A 58 7.420 -13.456 -3.753 1.00 0.00 C ATOM 934 CD PRO A 58 6.001 -13.723 -3.344 1.00 0.00 C ATOM 0 HA PRO A 58 7.124 -12.172 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.854 -12.107 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.600 -13.563 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.454 -12.801 -4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.922 -14.382 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.309 -13.547 -4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.865 -14.758 -3.029 1.00 0.00 H new ATOM 942 N MET A 59 7.281 -9.779 -1.176 1.00 0.00 N ATOM 943 CA MET A 59 7.212 -8.324 -1.334 1.00 0.00 C ATOM 944 C MET A 59 8.169 -7.832 -2.419 1.00 0.00 C ATOM 945 O MET A 59 7.992 -6.758 -2.982 1.00 0.00 O ATOM 946 CB MET A 59 7.532 -7.623 -0.010 1.00 0.00 C ATOM 947 CG MET A 59 8.956 -7.844 0.462 1.00 0.00 C ATOM 948 SD MET A 59 9.368 -6.916 1.947 1.00 0.00 S ATOM 949 CE MET A 59 11.075 -7.417 2.149 1.00 0.00 C ATOM 0 H MET A 59 7.621 -10.081 -0.263 1.00 0.00 H new ATOM 0 HA MET A 59 6.194 -8.078 -1.636 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.357 -6.553 -0.123 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.844 -7.980 0.757 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.107 -8.906 0.653 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.643 -7.563 -0.336 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.495 -6.932 3.031 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.125 -8.499 2.271 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.647 -7.125 1.268 1.00 0.00 H new ATOM 959 N ASN A 60 9.185 -8.619 -2.701 1.00 0.00 N ATOM 960 CA ASN A 60 10.171 -8.258 -3.707 1.00 0.00 C ATOM 961 C ASN A 60 9.693 -8.612 -5.121 1.00 0.00 C ATOM 962 O ASN A 60 10.255 -8.149 -6.110 1.00 0.00 O ATOM 963 CB ASN A 60 11.519 -8.937 -3.408 1.00 0.00 C ATOM 964 CG ASN A 60 11.472 -10.452 -3.555 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.700 -10.992 -4.638 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.194 -11.146 -2.466 1.00 0.00 N ATOM 0 H ASN A 60 9.353 -9.517 -2.248 1.00 0.00 H new ATOM 0 HA ASN A 60 10.304 -7.177 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.278 -8.536 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.828 -8.686 -2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.163 -12.165 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.011 -10.663 -1.586 1.00 0.00 H new ATOM 973 N SER A 61 8.649 -9.424 -5.219 1.00 0.00 N ATOM 974 CA SER A 61 8.129 -9.838 -6.516 1.00 0.00 C ATOM 975 C SER A 61 6.935 -8.974 -6.923 1.00 0.00 C ATOM 976 O SER A 61 6.655 -8.786 -8.102 1.00 0.00 O ATOM 977 CB SER A 61 7.720 -11.315 -6.470 1.00 0.00 C ATOM 978 OG SER A 61 7.408 -11.818 -7.760 1.00 0.00 O ATOM 0 H SER A 61 8.147 -9.808 -4.419 1.00 0.00 H new ATOM 0 HA SER A 61 8.915 -9.708 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.530 -11.903 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.856 -11.432 -5.816 1.00 0.00 H new ATOM 0 HG SER A 61 6.438 -11.928 -7.842 1.00 0.00 H new ATOM 984 N LEU A 62 6.235 -8.442 -5.951 1.00 0.00 N ATOM 985 CA LEU A 62 5.075 -7.635 -6.236 1.00 0.00 C ATOM 986 C LEU A 62 5.375 -6.145 -5.988 1.00 0.00 C ATOM 987 O LEU A 62 6.277 -5.799 -5.237 1.00 0.00 O ATOM 988 CB LEU A 62 3.832 -8.189 -5.462 1.00 0.00 C ATOM 989 CG LEU A 62 3.421 -7.544 -4.133 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.589 -7.408 -3.190 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.720 -6.229 -4.371 1.00 0.00 C ATOM 0 H LEU A 62 6.447 -8.553 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 62 4.820 -7.702 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.975 -8.128 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.012 -9.247 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 62 2.710 -8.209 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.255 -6.947 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.002 -8.394 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.356 -6.785 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.437 -5.789 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.390 -5.550 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.826 -6.397 -4.972 1.00 0.00 H new ATOM 1003 N ARG A 63 4.625 -5.277 -6.635 1.00 0.00 N ATOM 1004 CA ARG A 63 4.851 -3.839 -6.538 1.00 0.00 C ATOM 1005 C ARG A 63 3.567 -3.071 -6.263 1.00 0.00 C ATOM 1006 O ARG A 63 2.520 -3.333 -6.864 1.00 0.00 O ATOM 1007 CB ARG A 63 5.508 -3.329 -7.812 1.00 0.00 C ATOM 1008 CG ARG A 63 4.806 -3.780 -9.077 1.00 0.00 C ATOM 1009 CD ARG A 63 5.577 -3.363 -10.301 1.00 0.00 C ATOM 1010 NE ARG A 63 5.098 -4.045 -11.507 1.00 0.00 N ATOM 1011 CZ ARG A 63 5.784 -4.997 -12.157 1.00 0.00 C ATOM 1012 NH1 ARG A 63 7.003 -5.342 -11.751 1.00 0.00 N ATOM 1013 NH2 ARG A 63 5.252 -5.595 -13.212 1.00 0.00 N ATOM 0 H ARG A 63 3.846 -5.539 -7.240 1.00 0.00 H new ATOM 0 HA ARG A 63 5.515 -3.668 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.532 -2.240 -7.788 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.543 -3.670 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.692 -4.864 -9.067 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.803 -3.354 -9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.490 -2.285 -10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.635 -3.582 -10.156 1.00 0.00 H new ATOM 0 HE ARG A 63 4.185 -3.779 -11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.420 -4.882 -10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.520 -6.067 -12.249 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.320 -5.332 -13.531 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.775 -6.319 -13.705 1.00 0.00 H new ATOM 1027 N PHE A 64 3.648 -2.126 -5.342 1.00 0.00 N ATOM 1028 CA PHE A 64 2.514 -1.286 -4.982 1.00 0.00 C ATOM 1029 C PHE A 64 2.735 0.128 -5.472 1.00 0.00 C ATOM 1030 O PHE A 64 3.741 0.752 -5.151 1.00 0.00 O ATOM 1031 CB PHE A 64 2.318 -1.259 -3.461 1.00 0.00 C ATOM 1032 CG PHE A 64 3.221 -2.191 -2.698 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.847 -3.498 -2.472 1.00 0.00 C ATOM 1034 CD2 PHE A 64 4.442 -1.752 -2.206 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.665 -4.360 -1.772 1.00 0.00 C ATOM 1036 CE2 PHE A 64 5.268 -2.610 -1.504 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.878 -3.916 -1.287 1.00 0.00 C ATOM 0 H PHE A 64 4.500 -1.918 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 64 1.624 -1.705 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.482 -0.242 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.282 -1.513 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.899 -3.853 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.750 -0.730 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.356 -5.381 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.217 -2.259 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.521 -4.589 -0.739 1.00 0.00 H new ATOM 1047 N LEU A 65 1.797 0.644 -6.231 1.00 0.00 N ATOM 1048 CA LEU A 65 1.928 1.982 -6.767 1.00 0.00 C ATOM 1049 C LEU A 65 0.604 2.722 -6.853 1.00 0.00 C ATOM 1050 O LEU A 65 -0.468 2.131 -6.881 1.00 0.00 O ATOM 1051 CB LEU A 65 2.621 1.932 -8.128 1.00 0.00 C ATOM 1052 CG LEU A 65 2.017 0.971 -9.144 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.927 1.648 -9.953 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.097 0.422 -10.041 1.00 0.00 C ATOM 0 H LEU A 65 0.937 0.161 -6.492 1.00 0.00 H new ATOM 0 HA LEU A 65 2.543 2.550 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.614 2.935 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.665 1.659 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 65 1.558 0.141 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.513 0.939 -10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.137 1.991 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.346 2.501 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.656 -0.264 -10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.583 1.242 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.834 -0.110 -9.439 1.00 0.00 H new ATOM 1066 N PHE A 66 0.697 4.024 -6.860 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.449 4.897 -6.996 1.00 0.00 C ATOM 1068 C PHE A 66 -0.045 6.116 -7.790 1.00 0.00 C ATOM 1069 O PHE A 66 0.909 6.791 -7.441 1.00 0.00 O ATOM 1070 CB PHE A 66 -0.993 5.312 -5.619 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.060 6.367 -5.692 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.308 6.065 -6.198 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.813 7.662 -5.257 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.290 7.026 -6.273 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.794 8.629 -5.329 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.035 8.311 -5.839 1.00 0.00 C ATOM 0 H PHE A 66 1.583 4.521 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.243 4.363 -7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.396 4.433 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.169 5.680 -5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.516 5.062 -6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.842 7.915 -4.858 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.262 6.774 -6.672 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.591 9.633 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.805 9.066 -5.899 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.752 6.387 -8.878 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.436 7.511 -9.763 1.00 0.00 C ATOM 1088 C GLU A 67 0.994 7.413 -10.311 1.00 0.00 C ATOM 1089 O GLU A 67 1.604 8.413 -10.691 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.645 8.849 -9.042 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.094 9.141 -8.712 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.977 9.126 -9.937 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.034 10.154 -10.640 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.613 8.085 -10.207 1.00 0.00 O ATOM 0 H GLU A 67 -1.559 5.839 -9.176 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.121 7.463 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.064 8.850 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.254 9.653 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.457 8.403 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.165 10.115 -8.228 1.00 0.00 H new ATOM 1101 N GLY A 68 1.518 6.196 -10.355 1.00 0.00 N ATOM 1102 CA GLY A 68 2.836 5.969 -10.912 1.00 0.00 C ATOM 1103 C GLY A 68 3.932 5.980 -9.866 1.00 0.00 C ATOM 1104 O GLY A 68 5.109 5.821 -10.185 1.00 0.00 O ATOM 0 H GLY A 68 1.050 5.357 -10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.845 5.010 -11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.046 6.736 -11.658 1.00 0.00 H new ATOM 1108 N GLN A 69 3.562 6.144 -8.607 1.00 0.00 N ATOM 1109 CA GLN A 69 4.547 6.202 -7.550 1.00 0.00 C ATOM 1110 C GLN A 69 4.426 4.993 -6.660 1.00 0.00 C ATOM 1111 O GLN A 69 3.325 4.594 -6.273 1.00 0.00 O ATOM 1112 CB GLN A 69 4.393 7.493 -6.743 1.00 0.00 C ATOM 1113 CG GLN A 69 3.197 7.519 -5.815 1.00 0.00 C ATOM 1114 CD GLN A 69 2.836 8.924 -5.394 1.00 0.00 C ATOM 1115 OE1 GLN A 69 1.551 9.179 -5.246 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 3.703 9.782 -5.236 1.00 0.00 N flip ATOM 0 H GLN A 69 2.595 6.238 -8.298 1.00 0.00 H new ATOM 0 HA GLN A 69 5.541 6.201 -7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.297 7.647 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.317 8.332 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.343 7.059 -6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.412 6.920 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.687 9.542 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.438 10.733 -4.980 1.00 0.00 H new ATOM 1125 N ARG A 70 5.540 4.391 -6.354 1.00 0.00 N ATOM 1126 CA ARG A 70 5.555 3.217 -5.515 1.00 0.00 C ATOM 1127 C ARG A 70 5.273 3.584 -4.071 1.00 0.00 C ATOM 1128 O ARG A 70 5.737 4.611 -3.561 1.00 0.00 O ATOM 1129 CB ARG A 70 6.884 2.470 -5.648 1.00 0.00 C ATOM 1130 CG ARG A 70 8.103 3.290 -5.265 1.00 0.00 C ATOM 1131 CD ARG A 70 9.354 2.737 -5.913 1.00 0.00 C ATOM 1132 NE ARG A 70 9.276 2.808 -7.376 1.00 0.00 N ATOM 1133 CZ ARG A 70 10.102 2.180 -8.211 1.00 0.00 C ATOM 1134 NH1 ARG A 70 11.059 1.395 -7.739 1.00 0.00 N ATOM 1135 NH2 ARG A 70 9.955 2.326 -9.519 1.00 0.00 N ATOM 0 H ARG A 70 6.460 4.694 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 70 4.762 2.548 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.850 1.578 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.996 2.133 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.959 4.327 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.220 3.290 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.223 3.296 -5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.498 1.701 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 70 8.536 3.380 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.166 1.270 -6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.689 0.916 -8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.210 2.919 -9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.587 1.846 -10.160 1.00 0.00 H new ATOM 1149 N ILE A 71 4.479 2.776 -3.416 1.00 0.00 N ATOM 1150 CA ILE A 71 4.127 3.030 -2.049 1.00 0.00 C ATOM 1151 C ILE A 71 5.261 2.625 -1.110 1.00 0.00 C ATOM 1152 O ILE A 71 5.460 1.444 -0.822 1.00 0.00 O ATOM 1153 CB ILE A 71 2.824 2.302 -1.642 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.760 2.427 -2.748 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.292 2.890 -0.344 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.356 3.855 -3.068 1.00 0.00 C ATOM 0 H ILE A 71 4.064 1.933 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 71 3.956 4.103 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 71 3.048 1.245 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.139 1.957 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.873 1.870 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.374 2.375 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.036 2.766 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.084 3.951 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.604 3.852 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.944 4.325 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.230 4.414 -3.402 1.00 0.00 H new ATOM 1168 N ALA A 72 6.029 3.615 -0.668 1.00 0.00 N ATOM 1169 CA ALA A 72 7.123 3.400 0.269 1.00 0.00 C ATOM 1170 C ALA A 72 6.606 2.909 1.603 1.00 0.00 C ATOM 1171 O ALA A 72 5.408 2.996 1.897 1.00 0.00 O ATOM 1172 CB ALA A 72 7.899 4.688 0.469 1.00 0.00 C ATOM 0 H ALA A 72 5.910 4.588 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 72 7.781 2.639 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.715 4.516 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.306 5.019 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.234 5.455 0.866 1.00 0.00 H new ATOM 1178 N ASP A 73 7.512 2.428 2.428 1.00 0.00 N ATOM 1179 CA ASP A 73 7.165 1.896 3.733 1.00 0.00 C ATOM 1180 C ASP A 73 6.646 2.995 4.640 1.00 0.00 C ATOM 1181 O ASP A 73 5.950 2.739 5.622 1.00 0.00 O ATOM 1182 CB ASP A 73 8.364 1.218 4.390 1.00 0.00 C ATOM 1183 CG ASP A 73 9.185 0.399 3.434 1.00 0.00 C ATOM 1184 OD1 ASP A 73 9.927 0.994 2.621 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.110 -0.838 3.493 1.00 0.00 O ATOM 0 H ASP A 73 8.509 2.394 2.215 1.00 0.00 H new ATOM 0 HA ASP A 73 6.381 1.153 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.999 1.979 4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.012 0.576 5.197 1.00 0.00 H new ATOM 1190 N ASN A 74 6.975 4.233 4.308 1.00 0.00 N ATOM 1191 CA ASN A 74 6.564 5.369 5.110 1.00 0.00 C ATOM 1192 C ASN A 74 5.460 6.150 4.410 1.00 0.00 C ATOM 1193 O ASN A 74 5.035 7.201 4.884 1.00 0.00 O ATOM 1194 CB ASN A 74 7.759 6.297 5.384 1.00 0.00 C ATOM 1195 CG ASN A 74 8.285 6.975 4.123 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.828 8.053 3.744 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.251 6.353 3.475 1.00 0.00 N ATOM 0 H ASN A 74 7.527 4.475 3.485 1.00 0.00 H new ATOM 0 HA ASN A 74 6.183 4.991 6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.463 7.060 6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.562 5.721 5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.645 6.765 2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.604 5.460 3.820 1.00 0.00 H new ATOM 1204 N HIS A 75 4.975 5.639 3.279 1.00 0.00 N ATOM 1205 CA HIS A 75 3.940 6.345 2.543 1.00 0.00 C ATOM 1206 C HIS A 75 2.598 6.211 3.221 1.00 0.00 C ATOM 1207 O HIS A 75 2.226 5.138 3.709 1.00 0.00 O ATOM 1208 CB HIS A 75 3.852 5.874 1.095 1.00 0.00 C ATOM 1209 CG HIS A 75 4.658 6.706 0.146 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.756 6.434 -1.201 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.395 7.820 0.353 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.519 7.338 -1.775 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.921 8.186 -0.858 1.00 0.00 N ATOM 0 H HIS A 75 5.277 4.758 2.863 1.00 0.00 H new ATOM 0 HA HIS A 75 4.220 7.399 2.535 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.191 4.840 1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.809 5.886 0.780 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.542 8.326 1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.772 7.376 -2.824 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.528 8.989 -1.021 1.00 0.00 H new ATOM 1222 N THR A 76 1.869 7.302 3.249 1.00 0.00 N ATOM 1223 CA THR A 76 0.576 7.360 3.890 1.00 0.00 C ATOM 1224 C THR A 76 -0.420 8.045 2.966 1.00 0.00 C ATOM 1225 O THR A 76 -0.016 8.672 1.979 1.00 0.00 O ATOM 1226 CB THR A 76 0.681 8.192 5.190 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.010 9.540 4.864 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.760 7.647 6.087 1.00 0.00 C ATOM 0 H THR A 76 2.159 8.182 2.824 1.00 0.00 H new ATOM 0 HA THR A 76 0.246 6.346 4.115 1.00 0.00 H new ATOM 0 HB THR A 76 -0.278 8.142 5.706 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.526 9.937 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.816 8.247 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.529 6.614 6.348 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.718 7.684 5.568 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.734 7.933 3.246 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.753 8.633 2.470 1.00 0.00 C ATOM 1238 C PRO A 77 -2.533 10.142 2.486 1.00 0.00 C ATOM 1239 O PRO A 77 -2.783 10.827 1.494 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.074 8.267 3.165 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.680 7.703 4.489 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.330 7.090 4.294 1.00 0.00 C ATOM 0 HA PRO A 77 -2.735 8.346 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.711 9.143 3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.638 7.540 2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.648 8.482 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.401 6.958 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.741 7.109 5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.401 6.048 3.982 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.033 10.662 3.611 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.778 12.089 3.740 1.00 0.00 C ATOM 1252 C LYS A 78 -0.517 12.471 2.958 1.00 0.00 C ATOM 1253 O LYS A 78 -0.411 13.566 2.419 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.610 12.482 5.219 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.256 12.108 5.800 1.00 0.00 C ATOM 1256 CD LYS A 78 0.297 13.192 6.699 1.00 0.00 C ATOM 1257 CE LYS A 78 1.753 12.920 7.033 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.348 13.995 7.860 1.00 0.00 N ATOM 0 H LYS A 78 -1.800 10.114 4.439 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.633 12.627 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.754 13.558 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.393 12.000 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.348 11.181 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.446 11.918 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.206 14.161 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.288 13.244 7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.831 11.971 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.323 12.817 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.342 13.767 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.298 14.897 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.822 14.077 8.753 1.00 0.00 H new ATOM 1272 N GLU A 79 0.434 11.540 2.889 1.00 0.00 N ATOM 1273 CA GLU A 79 1.703 11.774 2.215 1.00 0.00 C ATOM 1274 C GLU A 79 1.481 11.825 0.722 1.00 0.00 C ATOM 1275 O GLU A 79 1.987 12.703 0.014 1.00 0.00 O ATOM 1276 CB GLU A 79 2.670 10.635 2.533 1.00 0.00 C ATOM 1277 CG GLU A 79 4.096 11.074 2.766 1.00 0.00 C ATOM 1278 CD GLU A 79 4.261 11.840 4.058 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.011 11.256 5.134 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.662 13.021 4.006 1.00 0.00 O ATOM 0 H GLU A 79 0.344 10.609 3.297 1.00 0.00 H new ATOM 0 HA GLU A 79 2.121 12.720 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.315 10.110 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.653 9.920 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.745 10.198 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.422 11.698 1.933 1.00 0.00 H new ATOM 1287 N LEU A 80 0.718 10.868 0.246 1.00 0.00 N ATOM 1288 CA LEU A 80 0.416 10.744 -1.156 1.00 0.00 C ATOM 1289 C LEU A 80 -0.685 11.721 -1.584 1.00 0.00 C ATOM 1290 O LEU A 80 -0.917 11.925 -2.774 1.00 0.00 O ATOM 1291 CB LEU A 80 0.008 9.302 -1.446 1.00 0.00 C ATOM 1292 CG LEU A 80 1.075 8.254 -1.116 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.477 6.868 -1.069 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.193 8.305 -2.135 1.00 0.00 C ATOM 0 H LEU A 80 0.287 10.149 0.828 1.00 0.00 H new ATOM 0 HA LEU A 80 1.305 10.997 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.894 9.073 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.250 9.217 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 80 1.482 8.483 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.256 6.143 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.297 6.831 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.040 6.627 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.945 7.555 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.790 8.103 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.650 9.294 -2.124 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.359 12.329 -0.610 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.410 13.294 -0.911 1.00 0.00 C ATOM 1308 C GLY A 81 -3.630 12.647 -1.541 1.00 0.00 C ATOM 1309 O GLY A 81 -4.273 13.224 -2.417 1.00 0.00 O ATOM 0 H GLY A 81 -1.197 12.172 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.706 13.803 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.018 14.055 -1.585 1.00 0.00 H new ATOM 1313 N MET A 82 -3.958 11.453 -1.091 1.00 0.00 N ATOM 1314 CA MET A 82 -5.083 10.716 -1.640 1.00 0.00 C ATOM 1315 C MET A 82 -6.397 11.107 -0.978 1.00 0.00 C ATOM 1316 O MET A 82 -6.417 11.763 0.067 1.00 0.00 O ATOM 1317 CB MET A 82 -4.856 9.215 -1.494 1.00 0.00 C ATOM 1318 CG MET A 82 -3.618 8.725 -2.208 1.00 0.00 C ATOM 1319 SD MET A 82 -3.423 6.938 -2.147 1.00 0.00 S ATOM 1320 CE MET A 82 -3.205 6.681 -0.401 1.00 0.00 C ATOM 0 H MET A 82 -3.461 10.969 -0.344 1.00 0.00 H new ATOM 0 HA MET A 82 -5.153 10.972 -2.697 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.778 8.968 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.725 8.684 -1.882 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.657 9.044 -3.250 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.741 9.195 -1.764 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.001 5.627 -0.211 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.368 7.283 -0.046 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.113 6.975 0.126 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.491 10.692 -1.586 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.823 10.957 -1.073 1.00 0.00 C ATOM 1332 C GLU A 83 -9.424 9.686 -0.511 1.00 0.00 C ATOM 1333 O GLU A 83 -8.820 8.615 -0.595 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.722 11.529 -2.167 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.376 12.950 -2.560 1.00 0.00 C ATOM 1336 CD GLU A 83 -9.546 13.918 -1.410 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -10.666 14.429 -1.225 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -8.562 14.166 -0.677 1.00 0.00 O ATOM 0 H GLU A 83 -7.482 10.158 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.745 11.696 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.656 10.892 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.757 11.497 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.346 12.987 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.010 13.260 -3.391 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.610 9.782 0.053 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.233 8.623 0.647 1.00 0.00 C ATOM 1347 C GLU A 84 -11.942 7.768 -0.391 1.00 0.00 C ATOM 1348 O GLU A 84 -12.463 8.267 -1.387 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.159 9.008 1.815 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.297 9.962 1.467 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.592 9.242 1.142 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.204 8.667 2.067 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -15.012 9.260 -0.025 1.00 0.00 O ATOM 0 H GLU A 84 -11.155 10.642 0.111 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.436 8.009 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.588 8.096 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.554 9.463 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.464 10.640 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.003 10.574 0.614 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.899 6.463 -0.166 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.502 5.457 -1.037 1.00 0.00 C ATOM 1362 C GLU A 85 -11.772 5.391 -2.379 1.00 0.00 C ATOM 1363 O GLU A 85 -12.307 4.918 -3.385 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.011 5.697 -1.220 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.757 4.477 -1.753 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.256 4.637 -1.716 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.802 5.391 -2.547 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.901 3.994 -0.861 1.00 0.00 O ATOM 0 H GLU A 85 -11.433 6.061 0.647 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.393 4.487 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.444 5.989 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.158 6.532 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.443 4.287 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.476 3.602 -1.166 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.541 5.883 -2.398 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.711 5.801 -3.593 1.00 0.00 C ATOM 1377 C ASP A 86 -9.107 4.395 -3.728 1.00 0.00 C ATOM 1378 O ASP A 86 -9.364 3.500 -2.889 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.605 6.856 -3.574 1.00 0.00 C ATOM 1380 CG ASP A 86 -8.280 7.376 -4.967 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.829 6.585 -5.822 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -8.497 8.578 -5.218 1.00 0.00 O ATOM 0 H ASP A 86 -10.096 6.342 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.346 5.997 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.910 7.688 -2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.706 6.429 -3.129 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.294 4.189 -4.752 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.735 2.879 -5.020 1.00 0.00 C ATOM 1389 C VAL A 87 -6.237 2.941 -5.281 1.00 0.00 C ATOM 1390 O VAL A 87 -5.733 3.839 -5.958 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.430 2.189 -6.232 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.926 2.100 -6.014 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.127 2.917 -7.533 1.00 0.00 C ATOM 0 H VAL A 87 -8.008 4.914 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.914 2.289 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.029 1.179 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.391 1.615 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.129 1.518 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.337 3.103 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.627 2.410 -8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.486 3.944 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.051 2.919 -7.707 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.522 1.991 -4.726 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.099 1.866 -4.970 1.00 0.00 C ATOM 1405 C ILE A 88 -3.877 0.691 -5.899 1.00 0.00 C ATOM 1406 O ILE A 88 -4.531 -0.346 -5.759 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.276 1.670 -3.652 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.132 2.991 -2.878 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.895 1.093 -3.953 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.427 3.553 -2.347 1.00 0.00 C ATOM 0 H ILE A 88 -5.904 1.286 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.746 2.793 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.826 0.965 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.450 2.835 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.671 3.731 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.343 0.966 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.004 0.126 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.351 1.774 -4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.229 4.484 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.107 3.746 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.882 2.836 -1.664 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.944 0.822 -6.812 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.712 -0.190 -7.817 1.00 0.00 C ATOM 1424 C GLU A 89 -1.587 -1.113 -7.370 1.00 0.00 C ATOM 1425 O GLU A 89 -0.565 -0.665 -6.841 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.329 0.479 -9.131 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.385 -0.435 -10.331 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.799 -0.721 -10.764 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.426 0.171 -11.384 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -4.290 -1.828 -10.503 1.00 0.00 O ATOM 0 H GLU A 89 -2.326 1.630 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.622 -0.774 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.994 1.325 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.319 0.880 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.839 0.020 -11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.883 -1.373 -10.095 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.770 -2.396 -7.543 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.760 -3.355 -7.170 1.00 0.00 C ATOM 1439 C VAL A 90 -0.564 -4.407 -8.257 1.00 0.00 C ATOM 1440 O VAL A 90 -1.526 -4.957 -8.799 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.109 -4.048 -5.821 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.300 -5.317 -5.636 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.864 -3.107 -4.656 1.00 0.00 C ATOM 0 H VAL A 90 -2.615 -2.804 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 90 0.173 -2.805 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.167 -4.311 -5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.563 -5.781 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.517 -6.009 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.763 -5.075 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.114 -3.611 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.186 -2.813 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.487 -2.220 -4.768 1.00 0.00 H new ATOM 1453 N TYR A 91 0.684 -4.682 -8.578 1.00 0.00 N ATOM 1454 CA TYR A 91 1.013 -5.691 -9.549 1.00 0.00 C ATOM 1455 C TYR A 91 1.876 -6.743 -8.906 1.00 0.00 C ATOM 1456 O TYR A 91 2.583 -6.469 -7.947 1.00 0.00 O ATOM 1457 CB TYR A 91 1.738 -5.098 -10.746 1.00 0.00 C ATOM 1458 CG TYR A 91 0.952 -4.045 -11.475 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -0.042 -4.397 -12.376 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.204 -2.702 -11.266 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.763 -3.436 -13.050 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.492 -1.735 -11.933 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.492 -2.102 -12.825 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.199 -1.130 -13.499 1.00 0.00 O ATOM 0 H TYR A 91 1.492 -4.211 -8.171 1.00 0.00 H new ATOM 0 HA TYR A 91 0.083 -6.135 -9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.680 -4.666 -10.410 1.00 0.00 H new ATOM 0 HB3 TYR A 91 1.985 -5.900 -11.442 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.254 -5.441 -12.552 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.973 -2.408 -10.567 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.534 -3.724 -13.749 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.703 -0.690 -11.759 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.883 -0.245 -13.222 1.00 0.00 H new ATOM 1474 N GLN A 92 1.820 -7.941 -9.412 1.00 0.00 N ATOM 1475 CA GLN A 92 2.584 -9.026 -8.857 1.00 0.00 C ATOM 1476 C GLN A 92 3.290 -9.826 -9.949 1.00 0.00 C ATOM 1477 O GLN A 92 2.668 -10.288 -10.906 1.00 0.00 O ATOM 1478 CB GLN A 92 1.673 -9.933 -8.018 1.00 0.00 C ATOM 1479 CG GLN A 92 0.528 -10.560 -8.809 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.481 -11.286 -7.942 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.718 -10.781 -6.743 1.00 0.00 O flip ATOM 1482 NE2 GLN A 92 -1.067 -12.272 -8.359 1.00 0.00 N flip ATOM 0 H GLN A 92 1.247 -8.195 -10.217 1.00 0.00 H new ATOM 0 HA GLN A 92 3.355 -8.606 -8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.275 -10.728 -7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.258 -9.352 -7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.016 -9.780 -9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.940 -11.260 -9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.858 -12.634 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.766 -12.734 -7.777 1.00 0.00 H new ATOM 1491 N GLU A 93 4.599 -9.943 -9.837 1.00 0.00 N ATOM 1492 CA GLU A 93 5.356 -10.780 -10.743 1.00 0.00 C ATOM 1493 C GLU A 93 5.181 -12.228 -10.332 1.00 0.00 C ATOM 1494 O GLU A 93 4.801 -12.517 -9.188 1.00 0.00 O ATOM 1495 CB GLU A 93 6.836 -10.397 -10.731 1.00 0.00 C ATOM 1496 CG GLU A 93 7.112 -9.002 -11.262 1.00 0.00 C ATOM 1497 CD GLU A 93 6.718 -8.845 -12.712 1.00 0.00 C ATOM 1498 OE1 GLU A 93 7.559 -9.111 -13.593 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.576 -8.449 -12.981 1.00 0.00 O ATOM 0 H GLU A 93 5.158 -9.469 -9.128 1.00 0.00 H new ATOM 0 HA GLU A 93 4.986 -10.638 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.212 -10.468 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.394 -11.119 -11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.568 -8.274 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.173 -8.778 -11.151 1.00 0.00 H new ATOM 1506 N GLN A 94 5.473 -13.153 -11.222 1.00 0.00 N ATOM 1507 CA GLN A 94 5.273 -14.554 -10.924 1.00 0.00 C ATOM 1508 C GLN A 94 6.595 -15.223 -10.613 1.00 0.00 C ATOM 1509 O GLN A 94 6.646 -16.258 -9.957 1.00 0.00 O ATOM 1510 CB GLN A 94 4.585 -15.267 -12.085 1.00 0.00 C ATOM 1511 CG GLN A 94 3.211 -14.708 -12.428 1.00 0.00 C ATOM 1512 CD GLN A 94 2.491 -15.522 -13.492 1.00 0.00 C ATOM 1513 OE1 GLN A 94 2.724 -16.821 -13.506 1.00 0.00 O flip ATOM 1514 NE2 GLN A 94 1.722 -14.984 -14.288 1.00 0.00 N flip ATOM 0 H GLN A 94 5.847 -12.961 -12.151 1.00 0.00 H new ATOM 0 HA GLN A 94 4.628 -14.623 -10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.223 -15.203 -12.967 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.485 -16.325 -11.841 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.601 -14.678 -11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.318 -13.680 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.567 -13.977 -14.246 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.239 -15.545 -14.990 1.00 0.00 H new ATOM 1523 N THR A 95 7.674 -14.620 -11.069 1.00 0.00 N ATOM 1524 CA THR A 95 8.991 -15.157 -10.836 1.00 0.00 C ATOM 1525 C THR A 95 9.778 -14.235 -9.920 1.00 0.00 C ATOM 1526 O THR A 95 10.424 -13.284 -10.371 1.00 0.00 O ATOM 1527 CB THR A 95 9.755 -15.371 -12.157 1.00 0.00 C ATOM 1528 OG1 THR A 95 9.683 -14.183 -12.960 1.00 0.00 O ATOM 1529 CG2 THR A 95 9.174 -16.545 -12.933 1.00 0.00 C ATOM 0 H THR A 95 7.660 -13.753 -11.606 1.00 0.00 H new ATOM 0 HA THR A 95 8.875 -16.128 -10.355 1.00 0.00 H new ATOM 0 HB THR A 95 10.796 -15.590 -11.919 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.902 -13.402 -12.410 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.729 -16.677 -13.862 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.250 -17.451 -12.332 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.127 -16.348 -13.161 1.00 0.00 H new ATOM 1537 N GLY A 96 9.694 -14.491 -8.632 1.00 0.00 N ATOM 1538 CA GLY A 96 10.382 -13.678 -7.670 1.00 0.00 C ATOM 1539 C GLY A 96 10.323 -14.279 -6.291 1.00 0.00 C ATOM 1540 O GLY A 96 9.434 -15.085 -5.990 1.00 0.00 O ATOM 0 H GLY A 96 9.154 -15.258 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.423 -13.559 -7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.940 -12.682 -7.652 1.00 0.00 H new ATOM 1544 N GLY A 97 11.253 -13.896 -5.449 1.00 0.00 N ATOM 1545 CA GLY A 97 11.309 -14.407 -4.108 1.00 0.00 C ATOM 1546 C GLY A 97 12.638 -14.100 -3.476 1.00 0.00 C ATOM 1547 O GLY A 97 13.643 -14.049 -4.213 1.00 0.00 O ATOM 1548 OXT GLY A 97 12.688 -13.872 -2.258 1.00 0.00 O ATOM 0 H GLY A 97 11.987 -13.225 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.508 -13.968 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.146 -15.485 -4.117 1.00 0.00 H new TER 1552 GLY A 97