USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 919 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN :FLIP amide:sc= -0.0492 F(o=-1.3,f=-0.19) USER MOD Set 1.2: A 110 CYS SG : rot -110:sc= -0.138 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -132:sc= 0.575 (180deg=0.16) USER MOD Set 2.2: A 67 TYR OH : rot -85:sc= 0.908 USER MOD Set 2.3: A 103 CYS SG : rot -38:sc= 0.874 USER MOD Set 3.1: A 53 SER OG : rot 90:sc= -0.19 USER MOD Set 3.2: A 66 HIS : no HE2:sc= -1.26 K(o=-1.5,f=-2) USER MOD Set 4.1: A 43 SER OG : rot -55:sc= 1.2 USER MOD Set 4.2: A 45 SER OG : rot 180:sc= 0.712 USER MOD Set 4.3: A 46 ASN : amide:sc= -8.95! C(o=-7!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0649 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.152 USER MOD Single : A 8 THR OG1 : rot -73:sc= 0.31 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 0.97 (180deg=0.553) USER MOD Single : A 18 THR OG1 : rot -51:sc= 0.594 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 22 LYS NZ :NH3+ -105:sc= -0.0564 (180deg=-0.754) USER MOD Single : A 32 MET CE :methyl -162:sc= -0.18 (180deg=-1.27) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.16 F(o=-1.3,f=-0.16) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -75:sc= 1.26 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 64:sc= 1.13 USER MOD Single : A 55 LYS NZ :NH3+ -127:sc= -2.96 (180deg=-10.3!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -8:sc= 0.528 USER MOD Single : A 60 GLN : amide:sc=-0.00391 X(o=-0.0039,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 120:sc= -0.667 USER MOD Single : A 74 ASN : amide:sc= 0.0786 X(o=0.079,f=-0.27) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 89 GLN :FLIP amide:sc= -1.33 F(o=-2.9,f=-1.3) USER MOD Single : A 93 GLN : amide:sc= -0.889 K(o=-0.89,f=-1.7) USER MOD Single : A 94 HIS : no HE2:sc= -0.0305 K(o=-0.03,f=-0.59) USER MOD Single : A 95 TYR OH : rot 127:sc= -1.02 USER MOD Single : A 96 SER OG : rot 52:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 142:sc= 0.772 (180deg=-1.35!) USER MOD Single : A 104 GLN : amide:sc= -1.89 K(o=-1.9,f=-4) USER MOD Single : A 105 LYS NZ :NH3+ -148:sc= 0.732 (180deg=0.281) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0937 USER MOD Single : A 112 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.232 1.164 -5.449 1.00 0.00 N ATOM 2 CA GLY A 1 -32.846 2.466 -5.692 1.00 0.00 C ATOM 3 C GLY A 1 -33.251 2.662 -7.150 1.00 0.00 C ATOM 4 O GLY A 1 -33.097 1.783 -7.988 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.766 0.660 -4.713 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.242 0.606 -6.327 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.250 1.297 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.726 2.573 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.148 3.252 -5.404 1.00 0.00 H new ATOM 10 N SER A 2 -33.775 3.881 -7.371 1.00 0.00 N ATOM 11 CA SER A 2 -34.234 4.319 -8.681 1.00 0.00 C ATOM 12 C SER A 2 -33.030 4.684 -9.570 1.00 0.00 C ATOM 13 O SER A 2 -32.602 3.899 -10.407 1.00 0.00 O ATOM 14 CB SER A 2 -35.165 5.540 -8.443 1.00 0.00 C ATOM 15 OG SER A 2 -34.727 6.586 -7.485 1.00 0.00 O ATOM 0 H SER A 2 -33.888 4.583 -6.640 1.00 0.00 H new ATOM 0 HA SER A 2 -34.778 3.530 -9.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.333 6.022 -9.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.129 5.161 -8.103 1.00 0.00 H new ATOM 0 HG SER A 2 -35.406 7.291 -7.437 1.00 0.00 H new ATOM 21 N VAL A 3 -32.515 5.914 -9.338 1.00 0.00 N ATOM 22 CA VAL A 3 -31.372 6.392 -10.115 1.00 0.00 C ATOM 23 C VAL A 3 -30.083 5.659 -9.691 1.00 0.00 C ATOM 24 O VAL A 3 -29.813 5.452 -8.514 1.00 0.00 O ATOM 25 CB VAL A 3 -31.236 7.928 -10.034 1.00 0.00 C ATOM 26 CG1 VAL A 3 -32.562 8.632 -10.353 1.00 0.00 C ATOM 27 CG2 VAL A 3 -30.660 8.443 -8.702 1.00 0.00 C ATOM 0 H VAL A 3 -32.867 6.568 -8.639 1.00 0.00 H new ATOM 0 HA VAL A 3 -31.546 6.157 -11.165 1.00 0.00 H new ATOM 0 HB VAL A 3 -30.504 8.183 -10.800 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -32.426 9.711 -10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -32.880 8.368 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -33.322 8.317 -9.638 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -30.598 9.531 -8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -31.310 8.137 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.664 8.026 -8.551 1.00 0.00 H new ATOM 37 N ALA A 4 -29.322 5.276 -10.737 1.00 0.00 N ATOM 38 CA ALA A 4 -28.066 4.561 -10.542 1.00 0.00 C ATOM 39 C ALA A 4 -27.165 4.801 -11.773 1.00 0.00 C ATOM 40 O ALA A 4 -27.146 3.999 -12.699 1.00 0.00 O ATOM 41 CB ALA A 4 -28.361 3.064 -10.364 1.00 0.00 C ATOM 0 H ALA A 4 -29.561 5.453 -11.713 1.00 0.00 H new ATOM 0 HA ALA A 4 -27.552 4.921 -9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -27.426 2.524 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.003 2.920 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -28.864 2.684 -11.253 1.00 0.00 H new ATOM 47 N PRO A 5 -26.409 5.938 -11.762 1.00 0.00 N ATOM 48 CA PRO A 5 -25.529 6.273 -12.885 1.00 0.00 C ATOM 49 C PRO A 5 -24.229 5.445 -12.934 1.00 0.00 C ATOM 50 O PRO A 5 -23.557 5.401 -13.956 1.00 0.00 O ATOM 51 CB PRO A 5 -25.200 7.755 -12.650 1.00 0.00 C ATOM 52 CG PRO A 5 -25.345 7.955 -11.139 1.00 0.00 C ATOM 53 CD PRO A 5 -26.408 6.949 -10.701 1.00 0.00 C ATOM 0 HA PRO A 5 -26.018 6.060 -13.835 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -24.191 7.994 -12.985 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -25.881 8.403 -13.202 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -24.400 7.777 -10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -25.648 8.975 -10.904 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -26.165 6.510 -9.733 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -27.385 7.421 -10.601 1.00 0.00 H new ATOM 61 N VAL A 6 -23.930 4.786 -11.788 1.00 0.00 N ATOM 62 CA VAL A 6 -22.746 3.934 -11.635 1.00 0.00 C ATOM 63 C VAL A 6 -21.481 4.690 -12.091 1.00 0.00 C ATOM 64 O VAL A 6 -20.759 4.273 -12.989 1.00 0.00 O ATOM 65 CB VAL A 6 -22.979 2.574 -12.337 1.00 0.00 C ATOM 66 CG1 VAL A 6 -21.788 1.607 -12.199 1.00 0.00 C ATOM 67 CG2 VAL A 6 -24.256 1.902 -11.804 1.00 0.00 C ATOM 0 H VAL A 6 -24.509 4.836 -10.949 1.00 0.00 H new ATOM 0 HA VAL A 6 -22.576 3.697 -10.585 1.00 0.00 H new ATOM 0 HB VAL A 6 -23.091 2.796 -13.398 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -22.016 0.673 -12.713 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -20.900 2.058 -12.642 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -21.604 1.405 -11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -24.403 0.947 -12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -24.158 1.734 -10.732 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -25.113 2.548 -11.993 1.00 0.00 H new ATOM 77 N GLU A 7 -21.281 5.830 -11.386 1.00 0.00 N ATOM 78 CA GLU A 7 -20.157 6.732 -11.636 1.00 0.00 C ATOM 79 C GLU A 7 -18.821 5.979 -11.681 1.00 0.00 C ATOM 80 O GLU A 7 -18.151 5.936 -12.705 1.00 0.00 O ATOM 81 CB GLU A 7 -20.115 7.835 -10.568 1.00 0.00 C ATOM 82 CG GLU A 7 -21.382 8.704 -10.542 1.00 0.00 C ATOM 83 CD GLU A 7 -21.246 9.847 -9.519 1.00 0.00 C ATOM 84 OE1 GLU A 7 -20.305 10.631 -9.637 1.00 0.00 O ATOM 85 OE2 GLU A 7 -22.076 9.939 -8.614 1.00 0.00 O ATOM 0 H GLU A 7 -21.897 6.139 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.309 7.187 -12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.976 7.378 -9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.249 8.472 -10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.564 9.118 -11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.245 8.087 -10.291 1.00 0.00 H new ATOM 92 N THR A 8 -18.500 5.388 -10.506 1.00 0.00 N ATOM 93 CA THR A 8 -17.289 4.583 -10.342 1.00 0.00 C ATOM 94 C THR A 8 -16.029 5.264 -10.922 1.00 0.00 C ATOM 95 O THR A 8 -15.507 4.883 -11.962 1.00 0.00 O ATOM 96 CB THR A 8 -17.575 3.199 -11.007 1.00 0.00 C ATOM 97 OG1 THR A 8 -18.106 3.185 -12.373 1.00 0.00 O ATOM 98 CG2 THR A 8 -18.448 2.347 -10.046 1.00 0.00 C ATOM 0 H THR A 8 -19.070 5.460 -9.663 1.00 0.00 H new ATOM 0 HA THR A 8 -17.063 4.462 -9.283 1.00 0.00 H new ATOM 0 HB THR A 8 -16.588 2.762 -11.157 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.044 3.468 -12.362 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.653 1.379 -10.503 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.917 2.200 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.388 2.864 -9.854 1.00 0.00 H new ATOM 106 N LEU A 9 -15.581 6.286 -10.161 1.00 0.00 N ATOM 107 CA LEU A 9 -14.409 7.077 -10.532 1.00 0.00 C ATOM 108 C LEU A 9 -13.176 6.161 -10.690 1.00 0.00 C ATOM 109 O LEU A 9 -12.469 6.211 -11.688 1.00 0.00 O ATOM 110 CB LEU A 9 -14.170 8.184 -9.487 1.00 0.00 C ATOM 111 CG LEU A 9 -15.161 9.363 -9.572 1.00 0.00 C ATOM 112 CD1 LEU A 9 -16.608 8.982 -9.219 1.00 0.00 C ATOM 113 CD2 LEU A 9 -14.688 10.511 -8.671 1.00 0.00 C ATOM 0 H LEU A 9 -16.020 6.575 -9.287 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.585 7.559 -11.494 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.230 7.746 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.157 8.567 -9.606 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.172 9.679 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.246 9.862 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.960 8.213 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.645 8.601 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.393 11.339 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.631 10.164 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.703 10.846 -8.996 1.00 0.00 H new ATOM 125 N GLU A 10 -12.990 5.328 -9.644 1.00 0.00 N ATOM 126 CA GLU A 10 -11.909 4.348 -9.608 1.00 0.00 C ATOM 127 C GLU A 10 -12.562 2.974 -9.385 1.00 0.00 C ATOM 128 O GLU A 10 -13.298 2.503 -10.242 1.00 0.00 O ATOM 129 CB GLU A 10 -10.829 4.733 -8.576 1.00 0.00 C ATOM 130 CG GLU A 10 -10.107 6.039 -8.946 1.00 0.00 C ATOM 131 CD GLU A 10 -8.845 6.254 -8.091 1.00 0.00 C ATOM 132 OE1 GLU A 10 -8.976 6.669 -6.939 1.00 0.00 O ATOM 133 OE2 GLU A 10 -7.747 6.011 -8.590 1.00 0.00 O ATOM 0 H GLU A 10 -13.583 5.323 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.356 4.315 -10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.290 4.841 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.100 3.927 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.833 6.017 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.786 6.881 -8.811 1.00 0.00 H new ATOM 140 N VAL A 11 -12.265 2.366 -8.214 1.00 0.00 N ATOM 141 CA VAL A 11 -12.780 1.055 -7.803 1.00 0.00 C ATOM 142 C VAL A 11 -12.326 -0.102 -8.728 1.00 0.00 C ATOM 143 O VAL A 11 -12.865 -1.202 -8.664 1.00 0.00 O ATOM 144 CB VAL A 11 -14.297 1.031 -7.491 1.00 0.00 C ATOM 145 CG1 VAL A 11 -14.691 2.104 -6.469 1.00 0.00 C ATOM 146 CG2 VAL A 11 -15.205 1.115 -8.730 1.00 0.00 C ATOM 0 H VAL A 11 -11.648 2.787 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.303 0.868 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.466 0.046 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.763 2.051 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.150 1.936 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.440 3.090 -6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.249 1.092 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -15.006 2.044 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.004 0.269 -9.387 1.00 0.00 H new ATOM 156 N GLU A 12 -11.295 0.203 -9.550 1.00 0.00 N ATOM 157 CA GLU A 12 -10.705 -0.766 -10.478 1.00 0.00 C ATOM 158 C GLU A 12 -9.404 -1.333 -9.896 1.00 0.00 C ATOM 159 O GLU A 12 -8.512 -1.767 -10.605 1.00 0.00 O ATOM 160 CB GLU A 12 -10.444 -0.117 -11.844 1.00 0.00 C ATOM 161 CG GLU A 12 -11.726 0.436 -12.468 1.00 0.00 C ATOM 162 CD GLU A 12 -12.798 -0.656 -12.659 1.00 0.00 C ATOM 163 OE1 GLU A 12 -12.517 -1.649 -13.331 1.00 0.00 O ATOM 164 OE2 GLU A 12 -13.896 -0.505 -12.123 1.00 0.00 O ATOM 0 H GLU A 12 -10.857 1.124 -9.582 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.411 -1.585 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.719 0.689 -11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.001 -0.852 -12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.125 1.228 -11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.493 0.887 -13.433 1.00 0.00 H new ATOM 171 N LYS A 13 -9.358 -1.258 -8.556 1.00 0.00 N ATOM 172 CA LYS A 13 -8.292 -1.752 -7.707 1.00 0.00 C ATOM 173 C LYS A 13 -6.955 -1.020 -7.839 1.00 0.00 C ATOM 174 O LYS A 13 -6.096 -1.305 -7.013 1.00 0.00 O ATOM 175 CB LYS A 13 -8.074 -3.264 -7.865 1.00 0.00 C ATOM 176 CG LYS A 13 -9.205 -4.097 -7.270 1.00 0.00 C ATOM 177 CD LYS A 13 -9.467 -3.796 -5.786 1.00 0.00 C ATOM 178 CE LYS A 13 -10.082 -4.978 -5.046 1.00 0.00 C ATOM 179 NZ LYS A 13 -10.930 -4.576 -3.929 1.00 0.00 N ATOM 0 H LYS A 13 -10.110 -0.826 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.656 -1.538 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.974 -3.502 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.135 -3.542 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.118 -3.915 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.966 -5.154 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.529 -3.519 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.132 -2.936 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.671 -5.571 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.284 -5.622 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.607 -5.336 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.339 -4.394 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.449 -3.711 -4.181 1.00 0.00 H new ATOM 193 N TRP A 14 -6.739 -0.091 -8.816 1.00 0.00 N ATOM 194 CA TRP A 14 -5.391 0.508 -8.797 1.00 0.00 C ATOM 195 C TRP A 14 -5.166 1.335 -7.519 1.00 0.00 C ATOM 196 O TRP A 14 -4.057 1.390 -7.013 1.00 0.00 O ATOM 197 CB TRP A 14 -4.848 1.087 -10.127 1.00 0.00 C ATOM 198 CG TRP A 14 -5.088 2.542 -10.502 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.816 2.959 -11.620 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.485 3.740 -9.950 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.675 4.299 -11.783 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.866 4.825 -10.783 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.677 3.979 -8.869 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.420 6.097 -10.504 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.242 5.269 -8.582 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.617 6.327 -9.400 1.00 0.00 C ATOM 0 H TRP A 14 -7.391 0.223 -9.535 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.699 -0.331 -8.729 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.769 0.931 -10.127 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -5.258 0.478 -10.932 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.402 2.313 -12.257 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.102 4.843 -12.533 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.375 3.159 -8.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.697 6.918 -11.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.612 5.448 -7.723 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.282 7.329 -9.175 1.00 0.00 H new ATOM 217 N PHE A 15 -6.273 1.911 -6.996 1.00 0.00 N ATOM 218 CA PHE A 15 -6.180 2.703 -5.771 1.00 0.00 C ATOM 219 C PHE A 15 -6.819 1.951 -4.581 1.00 0.00 C ATOM 220 O PHE A 15 -8.032 1.926 -4.412 1.00 0.00 O ATOM 221 CB PHE A 15 -6.802 4.079 -6.038 1.00 0.00 C ATOM 222 CG PHE A 15 -6.269 5.139 -5.113 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.952 5.572 -5.238 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.079 5.708 -4.137 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.453 6.569 -4.411 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.583 6.703 -3.305 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.272 7.137 -3.445 1.00 0.00 C ATOM 0 H PHE A 15 -7.209 1.840 -7.396 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.140 2.857 -5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.606 4.369 -7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.884 4.013 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.312 5.128 -5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.100 5.374 -4.025 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.431 6.902 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.218 7.140 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.889 7.916 -2.803 1.00 0.00 H new ATOM 237 N PHE A 16 -5.913 1.343 -3.772 1.00 0.00 N ATOM 238 CA PHE A 16 -6.273 0.567 -2.577 1.00 0.00 C ATOM 239 C PHE A 16 -5.757 1.308 -1.325 1.00 0.00 C ATOM 240 O PHE A 16 -4.825 2.098 -1.393 1.00 0.00 O ATOM 241 CB PHE A 16 -5.608 -0.847 -2.649 1.00 0.00 C ATOM 242 CG PHE A 16 -6.555 -2.017 -2.469 1.00 0.00 C ATOM 243 CD1 PHE A 16 -7.627 -1.987 -1.577 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.354 -3.180 -3.209 1.00 0.00 C ATOM 245 CE1 PHE A 16 -8.475 -3.078 -1.440 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.206 -4.269 -3.087 1.00 0.00 C ATOM 247 CZ PHE A 16 -8.262 -4.224 -2.192 1.00 0.00 C ATOM 0 H PHE A 16 -4.908 1.383 -3.940 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.356 0.455 -2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.111 -0.948 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.834 -0.906 -1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.800 -1.101 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.519 -3.235 -3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.302 -3.034 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.046 -5.151 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 16 -8.916 -5.076 -2.080 1.00 0.00 H new ATOM 257 N ARG A 17 -6.418 1.020 -0.183 1.00 0.00 N ATOM 258 CA ARG A 17 -5.967 1.606 1.083 1.00 0.00 C ATOM 259 C ARG A 17 -4.727 0.826 1.557 1.00 0.00 C ATOM 260 O ARG A 17 -4.151 0.045 0.812 1.00 0.00 O ATOM 261 CB ARG A 17 -7.103 1.521 2.120 1.00 0.00 C ATOM 262 CG ARG A 17 -8.003 2.757 2.092 1.00 0.00 C ATOM 263 CD ARG A 17 -9.041 2.727 3.225 1.00 0.00 C ATOM 264 NE ARG A 17 -10.393 2.919 2.710 1.00 0.00 N ATOM 265 CZ ARG A 17 -11.004 1.997 1.936 1.00 0.00 C ATOM 266 NH1 ARG A 17 -10.417 0.840 1.649 1.00 0.00 N ATOM 267 NH2 ARG A 17 -12.214 2.251 1.459 1.00 0.00 N ATOM 0 H ARG A 17 -7.233 0.410 -0.117 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.705 2.656 0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.703 0.632 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.676 1.407 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.392 3.655 2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.514 2.814 1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.982 1.774 3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.812 3.507 3.952 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.892 3.778 2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.487 0.635 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.896 0.157 1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.673 3.135 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.686 1.562 0.873 1.00 0.00 H new ATOM 281 N THR A 18 -4.361 1.077 2.825 1.00 0.00 N ATOM 282 CA THR A 18 -3.232 0.430 3.479 1.00 0.00 C ATOM 283 C THR A 18 -3.658 -0.971 3.912 1.00 0.00 C ATOM 284 O THR A 18 -3.909 -1.270 5.073 1.00 0.00 O ATOM 285 CB THR A 18 -2.719 1.190 4.746 1.00 0.00 C ATOM 286 OG1 THR A 18 -1.946 0.401 5.711 1.00 0.00 O ATOM 287 CG2 THR A 18 -3.849 2.060 5.378 1.00 0.00 C ATOM 0 H THR A 18 -4.851 1.742 3.423 1.00 0.00 H new ATOM 0 HA THR A 18 -2.417 0.416 2.755 1.00 0.00 H new ATOM 0 HB THR A 18 -1.952 1.871 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.441 -0.413 5.939 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.462 2.576 6.257 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.194 2.793 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.681 1.419 5.670 1.00 0.00 H new ATOM 295 N ILE A 19 -3.724 -1.797 2.862 1.00 0.00 N ATOM 296 CA ILE A 19 -4.076 -3.194 3.007 1.00 0.00 C ATOM 297 C ILE A 19 -2.789 -3.856 3.519 1.00 0.00 C ATOM 298 O ILE A 19 -1.734 -3.233 3.507 1.00 0.00 O ATOM 299 CB ILE A 19 -4.489 -3.693 1.607 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.530 -4.806 1.660 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.316 -4.097 0.706 1.00 0.00 C ATOM 302 CD1 ILE A 19 -5.881 -5.345 0.261 1.00 0.00 C ATOM 0 H ILE A 19 -3.535 -1.510 1.902 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.899 -3.407 3.689 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.946 -2.818 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.155 -5.622 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.434 -4.432 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.697 -4.435 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.660 -3.239 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.756 -4.904 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.626 -6.135 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.282 -4.537 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.983 -5.745 -0.211 1.00 0.00 H new ATOM 314 N SER A 20 -2.879 -5.116 3.973 1.00 0.00 N ATOM 315 CA SER A 20 -1.604 -5.692 4.421 1.00 0.00 C ATOM 316 C SER A 20 -0.746 -5.979 3.180 1.00 0.00 C ATOM 317 O SER A 20 -1.244 -6.097 2.069 1.00 0.00 O ATOM 318 CB SER A 20 -1.770 -7.038 5.186 1.00 0.00 C ATOM 319 OG SER A 20 -0.576 -7.856 5.541 1.00 0.00 O ATOM 0 H SER A 20 -3.714 -5.698 4.038 1.00 0.00 H new ATOM 0 HA SER A 20 -1.149 -4.971 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.297 -6.818 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.427 -7.670 4.588 1.00 0.00 H new ATOM 0 HG SER A 20 -0.862 -8.663 6.018 1.00 0.00 H new ATOM 325 N ARG A 21 0.571 -6.091 3.432 1.00 0.00 N ATOM 326 CA ARG A 21 1.499 -6.408 2.347 1.00 0.00 C ATOM 327 C ARG A 21 1.071 -7.732 1.672 1.00 0.00 C ATOM 328 O ARG A 21 1.109 -7.872 0.459 1.00 0.00 O ATOM 329 CB ARG A 21 2.939 -6.463 2.891 1.00 0.00 C ATOM 330 CG ARG A 21 4.009 -6.454 1.785 1.00 0.00 C ATOM 331 CD ARG A 21 5.020 -5.308 1.916 1.00 0.00 C ATOM 332 NE ARG A 21 5.832 -5.511 3.112 1.00 0.00 N ATOM 333 CZ ARG A 21 6.795 -4.649 3.496 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.024 -3.532 2.818 1.00 0.00 N ATOM 335 NH2 ARG A 21 7.527 -4.924 4.567 1.00 0.00 N ATOM 0 H ARG A 21 1.000 -5.970 4.349 1.00 0.00 H new ATOM 0 HA ARG A 21 1.472 -5.628 1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.103 -5.612 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.058 -7.363 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.545 -7.403 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.516 -6.383 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.658 -5.268 1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.498 -4.353 1.975 1.00 0.00 H new ATOM 0 HE ARG A 21 5.664 -6.340 3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.467 -3.314 1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.757 -2.891 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.359 -5.782 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.258 -4.278 4.865 1.00 0.00 H new ATOM 349 N LYS A 22 0.608 -8.649 2.554 1.00 0.00 N ATOM 350 CA LYS A 22 0.123 -9.958 2.142 1.00 0.00 C ATOM 351 C LYS A 22 -1.232 -9.914 1.445 1.00 0.00 C ATOM 352 O LYS A 22 -1.553 -10.780 0.640 1.00 0.00 O ATOM 353 CB LYS A 22 0.043 -10.910 3.346 1.00 0.00 C ATOM 354 CG LYS A 22 -1.228 -10.850 4.216 1.00 0.00 C ATOM 355 CD LYS A 22 -2.306 -11.822 3.728 1.00 0.00 C ATOM 356 CE LYS A 22 -2.008 -13.305 3.965 1.00 0.00 C ATOM 357 NZ LYS A 22 -1.539 -13.960 2.744 1.00 0.00 N ATOM 0 H LYS A 22 0.566 -8.490 3.561 1.00 0.00 H new ATOM 0 HA LYS A 22 0.848 -10.326 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.150 -11.930 2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.901 -10.712 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.971 -11.083 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.625 -9.835 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.245 -11.574 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.456 -11.665 2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.254 -13.405 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.907 -13.805 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.300 -14.551 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.267 -13.239 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.716 -14.557 2.964 1.00 0.00 H new ATOM 371 N ASP A 23 -2.019 -8.882 1.813 1.00 0.00 N ATOM 372 CA ASP A 23 -3.357 -8.806 1.269 1.00 0.00 C ATOM 373 C ASP A 23 -3.347 -8.363 -0.182 1.00 0.00 C ATOM 374 O ASP A 23 -3.976 -8.941 -1.051 1.00 0.00 O ATOM 375 CB ASP A 23 -4.227 -7.837 2.077 1.00 0.00 C ATOM 376 CG ASP A 23 -4.760 -8.410 3.400 1.00 0.00 C ATOM 377 OD1 ASP A 23 -4.962 -9.621 3.498 1.00 0.00 O ATOM 378 OD2 ASP A 23 -4.980 -7.623 4.319 1.00 0.00 O ATOM 0 H ASP A 23 -1.755 -8.133 2.453 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.776 -9.810 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.646 -6.940 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.073 -7.529 1.462 1.00 0.00 H new ATOM 383 N ALA A 24 -2.593 -7.290 -0.384 1.00 0.00 N ATOM 384 CA ALA A 24 -2.450 -6.742 -1.725 1.00 0.00 C ATOM 385 C ALA A 24 -1.822 -7.809 -2.649 1.00 0.00 C ATOM 386 O ALA A 24 -2.133 -7.938 -3.826 1.00 0.00 O ATOM 387 CB ALA A 24 -1.626 -5.459 -1.631 1.00 0.00 C ATOM 0 H ALA A 24 -2.082 -6.792 0.345 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.414 -6.483 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.506 -5.030 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.138 -4.744 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.645 -5.686 -1.213 1.00 0.00 H new ATOM 393 N GLU A 25 -0.947 -8.596 -1.993 1.00 0.00 N ATOM 394 CA GLU A 25 -0.289 -9.698 -2.661 1.00 0.00 C ATOM 395 C GLU A 25 -1.342 -10.749 -3.043 1.00 0.00 C ATOM 396 O GLU A 25 -1.276 -11.297 -4.129 1.00 0.00 O ATOM 397 CB GLU A 25 0.776 -10.327 -1.741 1.00 0.00 C ATOM 398 CG GLU A 25 2.137 -9.606 -1.730 1.00 0.00 C ATOM 399 CD GLU A 25 3.049 -10.128 -0.596 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.080 -11.341 -0.375 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.717 -9.324 0.055 1.00 0.00 O ATOM 0 H GLU A 25 -0.692 -8.478 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 25 0.209 -9.331 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.387 -10.351 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.933 -11.362 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.632 -9.748 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.981 -8.534 -1.608 1.00 0.00 H new ATOM 408 N ARG A 26 -2.337 -10.972 -2.143 1.00 0.00 N ATOM 409 CA ARG A 26 -3.363 -11.989 -2.403 1.00 0.00 C ATOM 410 C ARG A 26 -4.153 -11.643 -3.685 1.00 0.00 C ATOM 411 O ARG A 26 -4.580 -12.503 -4.447 1.00 0.00 O ATOM 412 CB ARG A 26 -4.351 -12.132 -1.202 1.00 0.00 C ATOM 413 CG ARG A 26 -5.633 -11.258 -1.201 1.00 0.00 C ATOM 414 CD ARG A 26 -6.174 -10.739 0.139 1.00 0.00 C ATOM 415 NE ARG A 26 -7.422 -10.027 -0.111 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.600 -10.646 -0.304 1.00 0.00 C ATOM 417 NH1 ARG A 26 -8.719 -11.960 -0.159 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.657 -9.920 -0.640 1.00 0.00 N ATOM 0 H ARG A 26 -2.441 -10.472 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.850 -12.941 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.659 -13.176 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.798 -11.914 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.443 -10.394 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.426 -11.835 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.342 -11.568 0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.448 -10.077 0.610 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.400 -9.008 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.908 -12.520 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.622 -12.410 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.568 -8.910 -0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.559 -10.372 -0.791 1.00 0.00 H new ATOM 432 N GLN A 27 -4.288 -10.306 -3.849 1.00 0.00 N ATOM 433 CA GLN A 27 -5.043 -9.730 -4.956 1.00 0.00 C ATOM 434 C GLN A 27 -4.389 -9.973 -6.322 1.00 0.00 C ATOM 435 O GLN A 27 -5.028 -10.442 -7.255 1.00 0.00 O ATOM 436 CB GLN A 27 -5.265 -8.222 -4.742 1.00 0.00 C ATOM 437 CG GLN A 27 -6.091 -7.925 -3.484 1.00 0.00 C ATOM 438 CD GLN A 27 -7.621 -8.092 -3.605 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.076 -8.464 -4.815 1.00 0.00 O flip ATOM 440 NE2 GLN A 27 -8.347 -7.884 -2.641 1.00 0.00 N flip ATOM 0 H GLN A 27 -3.878 -9.615 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.005 -10.243 -4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.299 -7.723 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.771 -7.805 -5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.740 -8.577 -2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.884 -6.901 -3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.941 -7.604 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.357 -7.991 -2.731 1.00 0.00 H new ATOM 449 N LEU A 28 -3.085 -9.625 -6.383 1.00 0.00 N ATOM 450 CA LEU A 28 -2.389 -9.771 -7.658 1.00 0.00 C ATOM 451 C LEU A 28 -2.009 -11.233 -7.945 1.00 0.00 C ATOM 452 O LEU A 28 -1.941 -11.638 -9.098 1.00 0.00 O ATOM 453 CB LEU A 28 -1.234 -8.779 -7.728 1.00 0.00 C ATOM 454 CG LEU A 28 -1.713 -7.350 -7.477 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.501 -6.471 -7.201 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.524 -6.816 -8.660 1.00 0.00 C ATOM 0 H LEU A 28 -2.529 -9.263 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.063 -9.516 -8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.477 -9.046 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.759 -8.839 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.376 -7.340 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.828 -5.447 -7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.027 -6.844 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.167 -6.492 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.849 -5.797 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.905 -6.820 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.397 -7.450 -8.819 1.00 0.00 H new ATOM 468 N LEU A 29 -1.805 -12.005 -6.846 1.00 0.00 N ATOM 469 CA LEU A 29 -1.483 -13.424 -6.940 1.00 0.00 C ATOM 470 C LEU A 29 -2.694 -14.225 -7.463 1.00 0.00 C ATOM 471 O LEU A 29 -2.543 -15.357 -7.905 1.00 0.00 O ATOM 472 CB LEU A 29 -0.974 -13.942 -5.591 1.00 0.00 C ATOM 473 CG LEU A 29 0.450 -13.439 -5.272 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.710 -13.547 -3.772 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.502 -14.257 -6.043 1.00 0.00 C ATOM 0 H LEU A 29 -1.861 -11.653 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.679 -13.562 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.655 -13.624 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.979 -15.032 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 29 0.527 -12.397 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.716 -13.191 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.017 -12.940 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.616 -14.587 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.499 -13.886 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.427 -15.306 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.326 -14.159 -7.114 1.00 0.00 H new ATOM 487 N ALA A 30 -3.887 -13.578 -7.401 1.00 0.00 N ATOM 488 CA ALA A 30 -5.125 -14.184 -7.889 1.00 0.00 C ATOM 489 C ALA A 30 -4.960 -14.551 -9.377 1.00 0.00 C ATOM 490 O ALA A 30 -4.359 -13.805 -10.140 1.00 0.00 O ATOM 491 CB ALA A 30 -6.284 -13.179 -7.781 1.00 0.00 C ATOM 0 H ALA A 30 -4.003 -12.640 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.338 -15.069 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.201 -13.641 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.416 -12.886 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.058 -12.297 -8.380 1.00 0.00 H new ATOM 497 N PRO A 31 -5.536 -15.720 -9.775 1.00 0.00 N ATOM 498 CA PRO A 31 -5.452 -16.210 -11.154 1.00 0.00 C ATOM 499 C PRO A 31 -6.207 -15.366 -12.205 1.00 0.00 C ATOM 500 O PRO A 31 -6.212 -15.683 -13.389 1.00 0.00 O ATOM 501 CB PRO A 31 -6.046 -17.625 -11.075 1.00 0.00 C ATOM 502 CG PRO A 31 -6.948 -17.594 -9.844 1.00 0.00 C ATOM 503 CD PRO A 31 -6.283 -16.613 -8.896 1.00 0.00 C ATOM 0 HA PRO A 31 -4.419 -16.165 -11.499 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.611 -17.869 -11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.265 -18.378 -10.975 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.957 -17.272 -10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.034 -18.582 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.019 -16.067 -8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.625 -17.122 -8.192 1.00 0.00 H new ATOM 511 N MET A 32 -6.831 -14.280 -11.707 1.00 0.00 N ATOM 512 CA MET A 32 -7.607 -13.363 -12.513 1.00 0.00 C ATOM 513 C MET A 32 -6.740 -12.406 -13.363 1.00 0.00 C ATOM 514 O MET A 32 -7.176 -11.958 -14.417 1.00 0.00 O ATOM 515 CB MET A 32 -8.538 -12.665 -11.517 1.00 0.00 C ATOM 516 CG MET A 32 -9.766 -13.543 -11.239 1.00 0.00 C ATOM 517 SD MET A 32 -10.936 -12.814 -10.079 1.00 0.00 S ATOM 518 CE MET A 32 -10.185 -13.368 -8.539 1.00 0.00 C ATOM 0 H MET A 32 -6.800 -14.027 -10.719 1.00 0.00 H new ATOM 0 HA MET A 32 -8.180 -13.879 -13.283 1.00 0.00 H new ATOM 0 HB2 MET A 32 -8.005 -12.466 -10.587 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.853 -11.701 -11.916 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.279 -13.742 -12.180 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.432 -14.504 -10.848 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.915 -13.297 -7.732 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.860 -14.403 -8.644 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.325 -12.739 -8.307 1.00 0.00 H new ATOM 528 N ASN A 33 -5.506 -12.133 -12.874 1.00 0.00 N ATOM 529 CA ASN A 33 -4.585 -11.253 -13.611 1.00 0.00 C ATOM 530 C ASN A 33 -3.112 -11.688 -13.415 1.00 0.00 C ATOM 531 O ASN A 33 -2.787 -12.586 -12.649 1.00 0.00 O ATOM 532 CB ASN A 33 -4.736 -9.770 -13.223 1.00 0.00 C ATOM 533 CG ASN A 33 -6.121 -9.186 -13.507 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.939 -9.192 -12.445 1.00 0.00 O flip ATOM 535 ND2 ASN A 33 -6.410 -8.734 -14.605 1.00 0.00 N flip ATOM 0 H ASN A 33 -5.138 -12.501 -11.996 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.857 -11.353 -14.662 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.518 -9.660 -12.161 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.990 -9.187 -13.763 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.730 -8.767 -15.365 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.331 -8.324 -14.761 1.00 0.00 H new ATOM 542 N LYS A 34 -2.264 -10.978 -14.196 1.00 0.00 N ATOM 543 CA LYS A 34 -0.813 -11.167 -14.238 1.00 0.00 C ATOM 544 C LYS A 34 -0.123 -9.807 -14.264 1.00 0.00 C ATOM 545 O LYS A 34 -0.743 -8.757 -14.194 1.00 0.00 O ATOM 546 CB LYS A 34 -0.362 -12.006 -15.462 1.00 0.00 C ATOM 547 CG LYS A 34 -1.267 -11.845 -16.684 1.00 0.00 C ATOM 548 CD LYS A 34 -2.306 -12.954 -16.621 1.00 0.00 C ATOM 549 CE LYS A 34 -3.569 -12.701 -17.448 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.346 -12.855 -18.882 1.00 0.00 N ATOM 0 H LYS A 34 -2.587 -10.243 -14.825 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.527 -11.719 -13.343 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.654 -11.720 -15.733 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.332 -13.058 -15.179 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.747 -10.867 -16.681 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.687 -11.913 -17.604 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.847 -13.882 -16.961 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.594 -13.103 -15.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.350 -13.391 -17.130 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.933 -11.693 -17.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.233 -12.672 -19.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.621 -12.179 -19.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.025 -13.824 -19.081 1.00 0.00 H new ATOM 564 N ALA A 35 1.206 -9.947 -14.388 1.00 0.00 N ATOM 565 CA ALA A 35 2.173 -8.854 -14.455 1.00 0.00 C ATOM 566 C ALA A 35 1.612 -7.669 -15.255 1.00 0.00 C ATOM 567 O ALA A 35 1.308 -7.761 -16.438 1.00 0.00 O ATOM 568 CB ALA A 35 3.483 -9.320 -15.096 1.00 0.00 C ATOM 0 H ALA A 35 1.648 -10.864 -14.446 1.00 0.00 H new ATOM 0 HA ALA A 35 2.369 -8.532 -13.432 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.186 -8.488 -15.134 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.910 -10.129 -14.504 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.287 -9.676 -16.108 1.00 0.00 H new ATOM 574 N GLY A 36 1.493 -6.571 -14.492 1.00 0.00 N ATOM 575 CA GLY A 36 0.974 -5.316 -14.991 1.00 0.00 C ATOM 576 C GLY A 36 -0.269 -4.889 -14.215 1.00 0.00 C ATOM 577 O GLY A 36 -0.569 -3.712 -14.060 1.00 0.00 O ATOM 0 H GLY A 36 1.759 -6.543 -13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.740 -4.544 -14.911 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.730 -5.414 -16.049 1.00 0.00 H new ATOM 581 N SER A 37 -0.977 -5.922 -13.719 1.00 0.00 N ATOM 582 CA SER A 37 -2.099 -5.685 -12.829 1.00 0.00 C ATOM 583 C SER A 37 -1.418 -5.241 -11.523 1.00 0.00 C ATOM 584 O SER A 37 -0.526 -5.918 -11.016 1.00 0.00 O ATOM 585 CB SER A 37 -2.928 -6.984 -12.603 1.00 0.00 C ATOM 586 OG SER A 37 -2.238 -8.212 -12.139 1.00 0.00 O ATOM 0 H SER A 37 -0.788 -6.904 -13.921 1.00 0.00 H new ATOM 0 HA SER A 37 -2.805 -4.953 -13.222 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.709 -6.753 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.426 -7.223 -13.543 1.00 0.00 H new ATOM 0 HG SER A 37 -1.729 -8.601 -12.880 1.00 0.00 H new ATOM 592 N PHE A 38 -1.845 -4.040 -11.071 1.00 0.00 N ATOM 593 CA PHE A 38 -1.272 -3.417 -9.879 1.00 0.00 C ATOM 594 C PHE A 38 -2.423 -2.969 -8.929 1.00 0.00 C ATOM 595 O PHE A 38 -3.606 -3.102 -9.226 1.00 0.00 O ATOM 596 CB PHE A 38 -0.562 -2.084 -10.294 1.00 0.00 C ATOM 597 CG PHE A 38 0.776 -2.090 -11.004 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.252 -3.105 -11.819 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.593 -0.977 -10.826 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.495 -2.993 -12.438 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.858 -0.887 -11.380 1.00 0.00 C ATOM 602 CZ PHE A 38 3.314 -1.902 -12.202 1.00 0.00 C ATOM 0 H PHE A 38 -2.581 -3.493 -11.518 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.595 -4.130 -9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.258 -1.540 -10.933 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.436 -1.495 -9.385 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.654 -3.991 -11.976 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.226 -0.152 -10.233 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.825 -3.769 -13.112 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.484 -0.032 -11.172 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.294 -1.844 -12.653 1.00 0.00 H new ATOM 612 N LEU A 39 -1.951 -2.405 -7.784 1.00 0.00 N ATOM 613 CA LEU A 39 -2.753 -1.819 -6.695 1.00 0.00 C ATOM 614 C LEU A 39 -1.875 -0.652 -6.183 1.00 0.00 C ATOM 615 O LEU A 39 -0.779 -0.483 -6.702 1.00 0.00 O ATOM 616 CB LEU A 39 -2.907 -2.748 -5.464 1.00 0.00 C ATOM 617 CG LEU A 39 -2.878 -4.253 -5.714 1.00 0.00 C ATOM 618 CD1 LEU A 39 -2.207 -4.967 -4.556 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.221 -4.903 -5.857 1.00 0.00 C ATOM 0 H LEU A 39 -0.950 -2.348 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.747 -1.581 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.111 -2.508 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.850 -2.506 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.341 -4.346 -6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.194 -6.040 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.185 -4.605 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.760 -4.770 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.092 -5.971 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.797 -4.752 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.752 -4.459 -6.699 1.00 0.00 H new ATOM 631 N ILE A 40 -2.330 0.127 -5.162 1.00 0.00 N ATOM 632 CA ILE A 40 -1.351 1.132 -4.714 1.00 0.00 C ATOM 633 C ILE A 40 -1.775 1.344 -3.231 1.00 0.00 C ATOM 634 O ILE A 40 -2.541 2.229 -2.873 1.00 0.00 O ATOM 635 CB ILE A 40 -1.367 2.351 -5.685 1.00 0.00 C ATOM 636 CG1 ILE A 40 -0.008 3.024 -5.839 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.208 3.529 -5.198 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.100 3.515 -7.294 1.00 0.00 C ATOM 0 H ILE A 40 -3.236 0.091 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.294 0.869 -4.742 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.747 1.885 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.088 3.858 -5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.795 2.324 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.165 4.334 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.242 3.209 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.818 3.885 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.063 4.004 -7.443 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.016 2.666 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.702 4.224 -7.499 1.00 0.00 H new ATOM 650 N ARG A 41 -1.268 0.403 -2.401 1.00 0.00 N ATOM 651 CA ARG A 41 -1.613 0.361 -0.988 1.00 0.00 C ATOM 652 C ARG A 41 -0.831 1.435 -0.203 1.00 0.00 C ATOM 653 O ARG A 41 0.393 1.461 -0.209 1.00 0.00 O ATOM 654 CB ARG A 41 -1.477 -1.106 -0.518 1.00 0.00 C ATOM 655 CG ARG A 41 -0.110 -1.543 0.020 1.00 0.00 C ATOM 656 CD ARG A 41 0.031 -1.236 1.516 1.00 0.00 C ATOM 657 NE ARG A 41 1.400 -0.939 1.890 1.00 0.00 N ATOM 658 CZ ARG A 41 2.270 -1.776 2.479 1.00 0.00 C ATOM 659 NH1 ARG A 41 1.965 -3.043 2.725 1.00 0.00 N ATOM 660 NH2 ARG A 41 3.464 -1.304 2.815 1.00 0.00 N ATOM 0 H ARG A 41 -0.622 -0.328 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.648 0.639 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.219 -1.282 0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.734 -1.755 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.023 -2.612 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.679 -1.034 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.605 -0.389 1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.325 -2.088 2.095 1.00 0.00 H new ATOM 0 HE ARG A 41 1.737 0.002 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.048 -3.406 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.647 -3.654 3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.699 -0.330 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.146 -1.915 3.264 1.00 0.00 H new ATOM 674 N GLU A 42 -1.617 2.310 0.476 1.00 0.00 N ATOM 675 CA GLU A 42 -1.032 3.421 1.236 1.00 0.00 C ATOM 676 C GLU A 42 -0.069 2.972 2.355 1.00 0.00 C ATOM 677 O GLU A 42 -0.135 1.847 2.835 1.00 0.00 O ATOM 678 CB GLU A 42 -2.111 4.410 1.730 1.00 0.00 C ATOM 679 CG GLU A 42 -2.733 4.116 3.084 1.00 0.00 C ATOM 680 CD GLU A 42 -3.916 5.065 3.358 1.00 0.00 C ATOM 681 OE1 GLU A 42 -3.670 6.222 3.693 1.00 0.00 O ATOM 682 OE2 GLU A 42 -5.069 4.640 3.232 1.00 0.00 O ATOM 0 H GLU A 42 -2.635 2.262 0.507 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.401 3.965 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.669 5.406 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.909 4.442 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.075 3.082 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.982 4.227 3.866 1.00 0.00 H new ATOM 689 N SER A 43 0.846 3.911 2.708 1.00 0.00 N ATOM 690 CA SER A 43 1.802 3.669 3.781 1.00 0.00 C ATOM 691 C SER A 43 1.210 4.381 5.011 1.00 0.00 C ATOM 692 O SER A 43 1.327 5.584 5.172 1.00 0.00 O ATOM 693 CB SER A 43 3.176 4.290 3.388 1.00 0.00 C ATOM 694 OG SER A 43 4.347 4.144 4.288 1.00 0.00 O ATOM 0 H SER A 43 0.929 4.825 2.263 1.00 0.00 H new ATOM 0 HA SER A 43 1.966 2.609 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.456 3.869 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.016 5.358 3.236 1.00 0.00 H new ATOM 0 HG SER A 43 4.121 4.487 5.178 1.00 0.00 H new ATOM 700 N GLU A 44 0.559 3.567 5.857 1.00 0.00 N ATOM 701 CA GLU A 44 -0.135 4.054 7.049 1.00 0.00 C ATOM 702 C GLU A 44 0.707 4.936 8.003 1.00 0.00 C ATOM 703 O GLU A 44 0.163 5.700 8.789 1.00 0.00 O ATOM 704 CB GLU A 44 -0.782 2.857 7.757 1.00 0.00 C ATOM 705 CG GLU A 44 0.137 1.639 7.995 1.00 0.00 C ATOM 706 CD GLU A 44 1.358 1.945 8.878 1.00 0.00 C ATOM 707 OE1 GLU A 44 1.175 2.249 10.057 1.00 0.00 O ATOM 708 OE2 GLU A 44 2.479 1.872 8.374 1.00 0.00 O ATOM 0 H GLU A 44 0.502 2.557 5.730 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.901 4.752 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.165 3.193 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.640 2.531 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.444 0.842 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.482 1.263 7.032 1.00 0.00 H new ATOM 715 N SER A 45 2.038 4.814 7.877 1.00 0.00 N ATOM 716 CA SER A 45 2.990 5.551 8.693 1.00 0.00 C ATOM 717 C SER A 45 3.028 7.062 8.373 1.00 0.00 C ATOM 718 O SER A 45 3.324 7.881 9.234 1.00 0.00 O ATOM 719 CB SER A 45 4.376 4.976 8.310 1.00 0.00 C ATOM 720 OG SER A 45 4.770 5.040 6.878 1.00 0.00 O ATOM 0 H SER A 45 2.478 4.193 7.197 1.00 0.00 H new ATOM 0 HA SER A 45 2.716 5.448 9.743 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.132 5.503 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.405 3.932 8.621 1.00 0.00 H new ATOM 0 HG SER A 45 5.662 4.649 6.766 1.00 0.00 H new ATOM 726 N ASN A 46 2.736 7.382 7.095 1.00 0.00 N ATOM 727 CA ASN A 46 2.760 8.751 6.578 1.00 0.00 C ATOM 728 C ASN A 46 1.375 9.184 6.065 1.00 0.00 C ATOM 729 O ASN A 46 0.499 8.374 5.794 1.00 0.00 O ATOM 730 CB ASN A 46 3.749 8.830 5.406 1.00 0.00 C ATOM 731 CG ASN A 46 3.617 7.612 4.531 1.00 0.00 C ATOM 732 OD1 ASN A 46 2.617 7.417 3.863 1.00 0.00 O ATOM 733 ND2 ASN A 46 4.716 6.843 4.555 1.00 0.00 N ATOM 0 H ASN A 46 2.476 6.687 6.395 1.00 0.00 H new ATOM 0 HA ASN A 46 3.058 9.411 7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.559 9.730 4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.768 8.906 5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.765 6.005 3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.503 7.096 5.153 1.00 0.00 H new ATOM 740 N LYS A 47 1.259 10.527 5.951 1.00 0.00 N ATOM 741 CA LYS A 47 0.048 11.178 5.463 1.00 0.00 C ATOM 742 C LYS A 47 0.137 11.606 3.989 1.00 0.00 C ATOM 743 O LYS A 47 -0.216 12.715 3.609 1.00 0.00 O ATOM 744 CB LYS A 47 -0.418 12.269 6.426 1.00 0.00 C ATOM 745 CG LYS A 47 0.714 13.121 6.950 1.00 0.00 C ATOM 746 CD LYS A 47 1.388 13.917 5.835 1.00 0.00 C ATOM 747 CE LYS A 47 2.187 15.097 6.371 1.00 0.00 C ATOM 748 NZ LYS A 47 3.364 14.699 7.138 1.00 0.00 N ATOM 0 H LYS A 47 2.006 11.177 6.197 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.747 10.433 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.141 12.908 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.936 11.806 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.333 13.807 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.451 12.485 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.049 13.260 5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.630 14.279 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.501 15.723 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.541 15.708 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.863 15.548 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.069 14.125 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.000 14.140 6.534 1.00 0.00 H new ATOM 762 N GLY A 48 0.624 10.643 3.182 1.00 0.00 N ATOM 763 CA GLY A 48 0.741 10.942 1.756 1.00 0.00 C ATOM 764 C GLY A 48 1.539 9.931 0.939 1.00 0.00 C ATOM 765 O GLY A 48 1.456 9.923 -0.282 1.00 0.00 O ATOM 0 H GLY A 48 0.923 9.712 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.261 11.015 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.206 11.922 1.644 1.00 0.00 H new ATOM 769 N ALA A 49 2.314 9.096 1.658 1.00 0.00 N ATOM 770 CA ALA A 49 3.123 8.084 0.963 1.00 0.00 C ATOM 771 C ALA A 49 2.278 6.814 0.780 1.00 0.00 C ATOM 772 O ALA A 49 1.338 6.565 1.524 1.00 0.00 O ATOM 773 CB ALA A 49 4.458 7.781 1.680 1.00 0.00 C ATOM 0 H ALA A 49 2.395 9.100 2.675 1.00 0.00 H new ATOM 0 HA ALA A 49 3.405 8.483 -0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.010 7.027 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.052 8.693 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.255 7.409 2.684 1.00 0.00 H new ATOM 779 N PHE A 50 2.668 6.048 -0.257 1.00 0.00 N ATOM 780 CA PHE A 50 1.982 4.818 -0.618 1.00 0.00 C ATOM 781 C PHE A 50 3.032 3.702 -0.828 1.00 0.00 C ATOM 782 O PHE A 50 4.175 3.792 -0.395 1.00 0.00 O ATOM 783 CB PHE A 50 1.153 5.119 -1.901 1.00 0.00 C ATOM 784 CG PHE A 50 -0.096 5.928 -1.663 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.026 7.306 -1.492 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.343 5.312 -1.630 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.173 8.059 -1.285 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.496 6.059 -1.421 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.410 7.433 -1.246 1.00 0.00 C ATOM 0 H PHE A 50 3.462 6.272 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 50 1.305 4.470 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.786 5.652 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.875 4.174 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.935 7.798 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.416 4.243 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.103 9.129 -1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.459 5.570 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.305 8.014 -1.080 1.00 0.00 H new ATOM 799 N SER A 51 2.556 2.660 -1.543 1.00 0.00 N ATOM 800 CA SER A 51 3.325 1.488 -1.952 1.00 0.00 C ATOM 801 C SER A 51 2.726 1.034 -3.290 1.00 0.00 C ATOM 802 O SER A 51 1.572 1.341 -3.554 1.00 0.00 O ATOM 803 CB SER A 51 3.198 0.355 -0.908 1.00 0.00 C ATOM 804 OG SER A 51 2.983 0.788 0.493 1.00 0.00 O ATOM 0 H SER A 51 1.587 2.621 -1.858 1.00 0.00 H new ATOM 0 HA SER A 51 4.385 1.728 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.370 -0.291 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.103 -0.251 -0.946 1.00 0.00 H new ATOM 0 HG SER A 51 2.121 1.249 0.564 1.00 0.00 H new ATOM 810 N LEU A 52 3.515 0.298 -4.105 1.00 0.00 N ATOM 811 CA LEU A 52 3.001 -0.116 -5.416 1.00 0.00 C ATOM 812 C LEU A 52 3.294 -1.601 -5.714 1.00 0.00 C ATOM 813 O LEU A 52 4.418 -2.008 -5.982 1.00 0.00 O ATOM 814 CB LEU A 52 3.593 0.868 -6.449 1.00 0.00 C ATOM 815 CG LEU A 52 3.114 0.675 -7.899 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.589 0.596 -7.955 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.609 1.805 -8.822 1.00 0.00 C ATOM 0 H LEU A 52 4.464 -0.006 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 52 1.913 -0.065 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.351 1.884 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.679 0.779 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 52 3.539 -0.263 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.269 0.460 -8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.246 -0.247 -7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.162 1.519 -7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.249 1.631 -9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.230 2.761 -8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.699 1.824 -8.822 1.00 0.00 H new ATOM 829 N SER A 53 2.178 -2.367 -5.665 1.00 0.00 N ATOM 830 CA SER A 53 2.202 -3.805 -5.889 1.00 0.00 C ATOM 831 C SER A 53 1.928 -4.108 -7.352 1.00 0.00 C ATOM 832 O SER A 53 1.138 -3.456 -8.018 1.00 0.00 O ATOM 833 CB SER A 53 1.182 -4.501 -4.939 1.00 0.00 C ATOM 834 OG SER A 53 1.009 -3.999 -3.551 1.00 0.00 O ATOM 0 H SER A 53 1.249 -1.994 -5.469 1.00 0.00 H new ATOM 0 HA SER A 53 3.190 -4.202 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.206 -4.462 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.463 -5.552 -4.873 1.00 0.00 H new ATOM 0 HG SER A 53 0.309 -3.313 -3.536 1.00 0.00 H new ATOM 840 N VAL A 54 2.663 -5.157 -7.776 1.00 0.00 N ATOM 841 CA VAL A 54 2.616 -5.663 -9.144 1.00 0.00 C ATOM 842 C VAL A 54 2.976 -7.127 -9.091 1.00 0.00 C ATOM 843 O VAL A 54 3.793 -7.491 -8.265 1.00 0.00 O ATOM 844 CB VAL A 54 3.720 -5.035 -10.006 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.625 -5.471 -11.470 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.808 -3.542 -9.741 1.00 0.00 C ATOM 0 H VAL A 54 3.303 -5.671 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 54 1.629 -5.449 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 54 4.694 -5.424 -9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.426 -5.002 -12.042 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.720 -6.555 -11.534 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.661 -5.167 -11.878 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.595 -3.109 -10.359 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.855 -3.072 -9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.037 -3.372 -8.689 1.00 0.00 H new ATOM 856 N LYS A 55 2.387 -7.931 -10.000 1.00 0.00 N ATOM 857 CA LYS A 55 2.737 -9.349 -10.002 1.00 0.00 C ATOM 858 C LYS A 55 4.086 -9.580 -10.730 1.00 0.00 C ATOM 859 O LYS A 55 4.100 -9.489 -11.951 1.00 0.00 O ATOM 860 CB LYS A 55 1.615 -10.006 -10.787 1.00 0.00 C ATOM 861 CG LYS A 55 1.871 -11.436 -11.255 1.00 0.00 C ATOM 862 CD LYS A 55 0.665 -12.360 -11.095 1.00 0.00 C ATOM 863 CE LYS A 55 0.601 -12.986 -9.714 1.00 0.00 C ATOM 864 NZ LYS A 55 1.830 -13.683 -9.371 1.00 0.00 N ATOM 0 H LYS A 55 1.706 -7.638 -10.701 1.00 0.00 H new ATOM 0 HA LYS A 55 2.848 -9.748 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.717 -10.003 -10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.403 -9.391 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.167 -11.418 -12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.710 -11.848 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.249 -11.796 -11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.711 -13.148 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.406 -12.210 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.235 -13.684 -9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.607 -14.656 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.459 -13.706 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.304 -13.186 -8.590 1.00 0.00 H new ATOM 878 N ASP A 56 5.205 -9.880 -10.001 1.00 0.00 N ATOM 879 CA ASP A 56 6.412 -10.103 -10.812 1.00 0.00 C ATOM 880 C ASP A 56 6.502 -11.571 -11.268 1.00 0.00 C ATOM 881 O ASP A 56 6.560 -12.490 -10.466 1.00 0.00 O ATOM 882 CB ASP A 56 7.653 -9.543 -10.119 1.00 0.00 C ATOM 883 CG ASP A 56 8.968 -9.863 -10.855 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.433 -10.997 -10.764 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.521 -8.969 -11.494 1.00 0.00 O ATOM 0 H ASP A 56 5.288 -9.963 -8.988 1.00 0.00 H new ATOM 0 HA ASP A 56 6.346 -9.534 -11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.551 -8.462 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.706 -9.944 -9.107 1.00 0.00 H new ATOM 890 N ILE A 57 6.476 -11.729 -12.617 1.00 0.00 N ATOM 891 CA ILE A 57 6.602 -13.070 -13.194 1.00 0.00 C ATOM 892 C ILE A 57 8.103 -13.352 -13.389 1.00 0.00 C ATOM 893 O ILE A 57 8.826 -12.598 -14.032 1.00 0.00 O ATOM 894 CB ILE A 57 5.834 -13.264 -14.520 1.00 0.00 C ATOM 895 CG1 ILE A 57 4.359 -12.873 -14.460 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.919 -14.716 -15.016 1.00 0.00 C ATOM 897 CD1 ILE A 57 3.748 -13.210 -13.141 1.00 0.00 C ATOM 0 H ILE A 57 6.373 -10.971 -13.292 1.00 0.00 H new ATOM 0 HA ILE A 57 6.145 -13.778 -12.503 1.00 0.00 H new ATOM 0 HB ILE A 57 6.332 -12.586 -15.213 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.259 -11.803 -14.644 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.815 -13.385 -15.254 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.367 -14.814 -15.951 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.963 -14.984 -15.181 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.488 -15.382 -14.268 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.699 -12.916 -13.140 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.824 -14.284 -12.969 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.275 -12.677 -12.349 1.00 0.00 H new ATOM 909 N THR A 58 8.500 -14.486 -12.778 1.00 0.00 N ATOM 910 CA THR A 58 9.890 -14.925 -12.812 1.00 0.00 C ATOM 911 C THR A 58 9.952 -16.454 -12.713 1.00 0.00 C ATOM 912 O THR A 58 8.961 -17.114 -12.419 1.00 0.00 O ATOM 913 CB THR A 58 10.662 -14.273 -11.620 1.00 0.00 C ATOM 914 OG1 THR A 58 12.090 -14.562 -11.517 1.00 0.00 O ATOM 915 CG2 THR A 58 9.884 -14.406 -10.271 1.00 0.00 C ATOM 0 H THR A 58 7.875 -15.104 -12.261 1.00 0.00 H new ATOM 0 HA THR A 58 10.352 -14.618 -13.750 1.00 0.00 H new ATOM 0 HB THR A 58 10.683 -13.214 -11.878 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.462 -14.099 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.459 -13.939 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.916 -13.912 -10.359 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.733 -15.461 -10.040 1.00 0.00 H new ATOM 923 N THR A 59 11.180 -16.978 -12.963 1.00 0.00 N ATOM 924 CA THR A 59 11.373 -18.428 -12.883 1.00 0.00 C ATOM 925 C THR A 59 11.348 -18.932 -11.429 1.00 0.00 C ATOM 926 O THR A 59 11.346 -20.134 -11.192 1.00 0.00 O ATOM 927 CB THR A 59 12.650 -18.981 -13.602 1.00 0.00 C ATOM 928 OG1 THR A 59 13.041 -20.362 -13.292 1.00 0.00 O ATOM 929 CG2 THR A 59 13.861 -18.005 -13.564 1.00 0.00 C ATOM 0 H THR A 59 12.009 -16.438 -13.210 1.00 0.00 H new ATOM 0 HA THR A 59 10.520 -18.823 -13.434 1.00 0.00 H new ATOM 0 HB THR A 59 12.309 -19.040 -14.635 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.489 -20.701 -12.557 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.708 -18.456 -14.081 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.591 -17.071 -14.056 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.134 -17.804 -12.528 1.00 0.00 H new ATOM 937 N GLN A 60 11.320 -17.974 -10.474 1.00 0.00 N ATOM 938 CA GLN A 60 11.273 -18.356 -9.062 1.00 0.00 C ATOM 939 C GLN A 60 9.827 -18.305 -8.505 1.00 0.00 C ATOM 940 O GLN A 60 9.621 -18.289 -7.297 1.00 0.00 O ATOM 941 CB GLN A 60 12.263 -17.518 -8.247 1.00 0.00 C ATOM 942 CG GLN A 60 13.722 -17.845 -8.624 1.00 0.00 C ATOM 943 CD GLN A 60 14.717 -16.938 -7.886 1.00 0.00 C ATOM 944 OE1 GLN A 60 15.495 -17.378 -7.050 1.00 0.00 O ATOM 945 NE2 GLN A 60 14.643 -15.650 -8.253 1.00 0.00 N ATOM 0 H GLN A 60 11.329 -16.970 -10.654 1.00 0.00 H new ATOM 0 HA GLN A 60 11.587 -19.396 -8.971 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.071 -16.459 -8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.110 -17.704 -7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.934 -18.887 -8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.854 -17.730 -9.700 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.967 -15.359 -8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.263 -14.962 -7.826 1.00 0.00 H new ATOM 954 N GLY A 61 8.856 -18.292 -9.453 1.00 0.00 N ATOM 955 CA GLY A 61 7.434 -18.275 -9.123 1.00 0.00 C ATOM 956 C GLY A 61 6.732 -16.977 -9.535 1.00 0.00 C ATOM 957 O GLY A 61 7.349 -15.963 -9.837 1.00 0.00 O ATOM 0 H GLY A 61 9.048 -18.293 -10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.944 -19.116 -9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.316 -18.419 -8.049 1.00 0.00 H new ATOM 961 N GLU A 62 5.386 -17.089 -9.526 1.00 0.00 N ATOM 962 CA GLU A 62 4.504 -15.992 -9.862 1.00 0.00 C ATOM 963 C GLU A 62 4.356 -15.164 -8.561 1.00 0.00 C ATOM 964 O GLU A 62 3.511 -15.461 -7.725 1.00 0.00 O ATOM 965 CB GLU A 62 3.185 -16.691 -10.271 1.00 0.00 C ATOM 966 CG GLU A 62 2.381 -15.924 -11.320 1.00 0.00 C ATOM 967 CD GLU A 62 2.259 -16.698 -12.648 1.00 0.00 C ATOM 968 OE1 GLU A 62 3.256 -16.800 -13.361 1.00 0.00 O ATOM 969 OE2 GLU A 62 1.172 -17.188 -12.950 1.00 0.00 O ATOM 0 H GLU A 62 4.897 -17.951 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 62 4.837 -15.326 -10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.415 -17.684 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.568 -16.830 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.384 -15.717 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.857 -14.961 -11.506 1.00 0.00 H new ATOM 976 N VAL A 63 5.221 -14.134 -8.420 1.00 0.00 N ATOM 977 CA VAL A 63 5.221 -13.331 -7.201 1.00 0.00 C ATOM 978 C VAL A 63 4.468 -12.015 -7.447 1.00 0.00 C ATOM 979 O VAL A 63 3.690 -11.867 -8.380 1.00 0.00 O ATOM 980 CB VAL A 63 6.691 -13.108 -6.751 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.463 -14.425 -6.604 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.472 -12.140 -7.662 1.00 0.00 C ATOM 0 H VAL A 63 5.906 -13.853 -9.121 1.00 0.00 H new ATOM 0 HA VAL A 63 4.699 -13.846 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 63 6.611 -12.640 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.485 -14.215 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.974 -15.052 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.480 -14.946 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.490 -12.031 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.498 -12.537 -8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.981 -11.167 -7.665 1.00 0.00 H new ATOM 992 N VAL A 64 4.788 -11.090 -6.526 1.00 0.00 N ATOM 993 CA VAL A 64 4.307 -9.724 -6.479 1.00 0.00 C ATOM 994 C VAL A 64 5.578 -8.857 -6.253 1.00 0.00 C ATOM 995 O VAL A 64 6.674 -9.366 -6.420 1.00 0.00 O ATOM 996 CB VAL A 64 3.074 -9.672 -5.541 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.775 -8.328 -4.898 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.807 -9.980 -6.337 1.00 0.00 C ATOM 0 H VAL A 64 5.425 -11.300 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 64 3.866 -9.286 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 64 3.329 -10.391 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.892 -8.416 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.626 -8.017 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.592 -7.586 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.943 -9.942 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.688 -9.243 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.885 -10.975 -6.775 1.00 0.00 H new ATOM 1008 N LYS A 65 5.352 -7.559 -5.965 1.00 0.00 N ATOM 1009 CA LYS A 65 6.209 -6.409 -5.617 1.00 0.00 C ATOM 1010 C LYS A 65 5.431 -5.427 -4.735 1.00 0.00 C ATOM 1011 O LYS A 65 4.251 -5.588 -4.469 1.00 0.00 O ATOM 1012 CB LYS A 65 6.978 -5.640 -6.736 1.00 0.00 C ATOM 1013 CG LYS A 65 8.393 -6.167 -7.009 1.00 0.00 C ATOM 1014 CD LYS A 65 8.436 -7.286 -8.008 1.00 0.00 C ATOM 1015 CE LYS A 65 9.708 -8.146 -7.924 1.00 0.00 C ATOM 1016 NZ LYS A 65 10.671 -7.848 -8.977 1.00 0.00 N ATOM 0 H LYS A 65 4.383 -7.242 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 65 7.032 -6.899 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.400 -5.692 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.042 -4.588 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.014 -5.346 -7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.830 -6.511 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.566 -7.926 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.357 -6.868 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.180 -7.992 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.432 -9.199 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.994 -8.735 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.221 -7.251 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.486 -7.345 -8.570 1.00 0.00 H new ATOM 1030 N HIS A 66 6.248 -4.458 -4.277 1.00 0.00 N ATOM 1031 CA HIS A 66 5.916 -3.302 -3.441 1.00 0.00 C ATOM 1032 C HIS A 66 7.036 -2.230 -3.580 1.00 0.00 C ATOM 1033 O HIS A 66 8.113 -2.400 -3.022 1.00 0.00 O ATOM 1034 CB HIS A 66 5.761 -3.705 -1.956 1.00 0.00 C ATOM 1035 CG HIS A 66 4.348 -4.096 -1.555 1.00 0.00 C ATOM 1036 ND1 HIS A 66 3.751 -5.276 -1.819 1.00 0.00 N ATOM 1037 CD2 HIS A 66 3.435 -3.314 -0.825 1.00 0.00 C ATOM 1038 CE1 HIS A 66 2.522 -5.212 -1.276 1.00 0.00 C ATOM 1039 NE2 HIS A 66 2.304 -4.034 -0.666 1.00 0.00 N ATOM 0 H HIS A 66 7.242 -4.471 -4.506 1.00 0.00 H new ATOM 0 HA HIS A 66 4.963 -2.895 -3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 66 6.429 -4.541 -1.747 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.086 -2.873 -1.331 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.152 -6.062 -2.330 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.608 -2.314 -0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.797 -6.011 -1.324 1.00 0.00 H new ATOM 1047 N TYR A 67 6.735 -1.133 -4.322 1.00 0.00 N ATOM 1048 CA TYR A 67 7.711 -0.044 -4.498 1.00 0.00 C ATOM 1049 C TYR A 67 7.214 1.164 -3.698 1.00 0.00 C ATOM 1050 O TYR A 67 6.050 1.530 -3.771 1.00 0.00 O ATOM 1051 CB TYR A 67 7.866 0.389 -5.964 1.00 0.00 C ATOM 1052 CG TYR A 67 7.895 -0.769 -6.913 1.00 0.00 C ATOM 1053 CD1 TYR A 67 9.010 -1.583 -7.056 1.00 0.00 C ATOM 1054 CD2 TYR A 67 6.770 -1.036 -7.665 1.00 0.00 C ATOM 1055 CE1 TYR A 67 8.990 -2.657 -7.942 1.00 0.00 C ATOM 1056 CE2 TYR A 67 6.739 -2.088 -8.557 1.00 0.00 C ATOM 1057 CZ TYR A 67 7.847 -2.932 -8.699 1.00 0.00 C ATOM 1058 OH TYR A 67 7.820 -4.059 -9.520 1.00 0.00 O ATOM 0 H TYR A 67 5.843 -0.987 -4.795 1.00 0.00 H new ATOM 0 HA TYR A 67 8.681 -0.406 -4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.042 1.051 -6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.785 0.964 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.899 -1.382 -6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.897 -0.410 -7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.864 -3.283 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.853 -2.262 -9.150 1.00 0.00 H new ATOM 0 HH TYR A 67 8.228 -3.844 -10.384 1.00 0.00 H new ATOM 1068 N LYS A 68 8.159 1.756 -2.945 1.00 0.00 N ATOM 1069 CA LYS A 68 7.832 2.908 -2.118 1.00 0.00 C ATOM 1070 C LYS A 68 7.793 4.234 -2.918 1.00 0.00 C ATOM 1071 O LYS A 68 8.758 4.696 -3.511 1.00 0.00 O ATOM 1072 CB LYS A 68 8.675 2.968 -0.843 1.00 0.00 C ATOM 1073 CG LYS A 68 10.164 3.181 -1.066 1.00 0.00 C ATOM 1074 CD LYS A 68 10.894 1.930 -1.573 1.00 0.00 C ATOM 1075 CE LYS A 68 12.356 1.850 -1.123 1.00 0.00 C ATOM 1076 NZ LYS A 68 13.186 2.894 -1.714 1.00 0.00 N ATOM 0 H LYS A 68 9.133 1.456 -2.899 1.00 0.00 H new ATOM 0 HA LYS A 68 6.807 2.767 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.298 3.775 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.535 2.040 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.303 3.989 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.621 3.504 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.365 1.044 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.856 1.914 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.402 1.927 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.761 0.874 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.164 2.793 -1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.167 2.807 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.819 3.827 -1.438 1.00 0.00 H new ATOM 1090 N ILE A 69 6.562 4.769 -2.856 1.00 0.00 N ATOM 1091 CA ILE A 69 6.048 6.022 -3.402 1.00 0.00 C ATOM 1092 C ILE A 69 5.932 7.101 -2.323 1.00 0.00 C ATOM 1093 O ILE A 69 5.060 7.077 -1.467 1.00 0.00 O ATOM 1094 CB ILE A 69 4.809 5.851 -4.296 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.995 4.628 -3.911 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.863 6.248 -5.784 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.806 4.458 -4.810 1.00 0.00 C ATOM 0 H ILE A 69 5.822 4.269 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 69 6.795 6.394 -4.103 1.00 0.00 H new ATOM 0 HB ILE A 69 4.203 6.719 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.623 3.739 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.661 4.721 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.896 6.055 -6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.101 7.308 -5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.631 5.662 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.245 3.574 -4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.166 5.337 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.143 4.339 -5.840 1.00 0.00 H new ATOM 1109 N ARG A 70 6.888 8.039 -2.429 1.00 0.00 N ATOM 1110 CA ARG A 70 6.920 9.193 -1.554 1.00 0.00 C ATOM 1111 C ARG A 70 5.908 10.181 -2.102 1.00 0.00 C ATOM 1112 O ARG A 70 5.372 9.982 -3.179 1.00 0.00 O ATOM 1113 CB ARG A 70 8.327 9.796 -1.588 1.00 0.00 C ATOM 1114 CG ARG A 70 9.245 9.204 -0.517 1.00 0.00 C ATOM 1115 CD ARG A 70 9.684 10.320 0.442 1.00 0.00 C ATOM 1116 NE ARG A 70 10.306 9.791 1.650 1.00 0.00 N ATOM 1117 CZ ARG A 70 9.576 9.165 2.599 1.00 0.00 C ATOM 1118 NH1 ARG A 70 8.267 8.987 2.456 1.00 0.00 N ATOM 1119 NH2 ARG A 70 10.175 8.717 3.694 1.00 0.00 N ATOM 0 H ARG A 70 7.642 8.009 -3.115 1.00 0.00 H new ATOM 0 HA ARG A 70 6.680 8.933 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.767 9.629 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.260 10.875 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.725 8.419 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.117 8.743 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.386 10.980 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.819 10.924 0.715 1.00 0.00 H new ATOM 0 HE ARG A 70 11.312 9.896 1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.795 9.326 1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.734 8.512 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.180 8.846 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.631 8.243 4.415 1.00 0.00 H new ATOM 1133 N SER A 71 5.685 11.234 -1.307 1.00 0.00 N ATOM 1134 CA SER A 71 4.754 12.275 -1.683 1.00 0.00 C ATOM 1135 C SER A 71 5.446 13.622 -1.492 1.00 0.00 C ATOM 1136 O SER A 71 5.834 13.988 -0.390 1.00 0.00 O ATOM 1137 CB SER A 71 3.526 12.133 -0.759 1.00 0.00 C ATOM 1138 OG SER A 71 3.737 11.731 0.655 1.00 0.00 O ATOM 0 H SER A 71 6.140 11.377 -0.405 1.00 0.00 H new ATOM 0 HA SER A 71 4.435 12.200 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.003 13.089 -0.756 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.854 11.404 -1.213 1.00 0.00 H new ATOM 0 HG SER A 71 3.397 12.433 1.249 1.00 0.00 H new ATOM 1144 N LEU A 72 5.577 14.325 -2.637 1.00 0.00 N ATOM 1145 CA LEU A 72 6.232 15.616 -2.697 1.00 0.00 C ATOM 1146 C LEU A 72 5.227 16.710 -3.025 1.00 0.00 C ATOM 1147 O LEU A 72 4.353 16.574 -3.873 1.00 0.00 O ATOM 1148 CB LEU A 72 7.329 15.579 -3.772 1.00 0.00 C ATOM 1149 CG LEU A 72 8.080 14.260 -3.832 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.586 13.854 -2.442 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.285 13.195 -4.615 1.00 0.00 C ATOM 0 H LEU A 72 5.226 13.999 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 72 6.675 15.834 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.879 15.775 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.040 16.383 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 72 8.991 14.376 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.120 12.906 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.258 14.623 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.739 13.744 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.851 12.263 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.326 13.025 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.116 13.543 -5.634 1.00 0.00 H new ATOM 1163 N ASP A 73 5.452 17.807 -2.286 1.00 0.00 N ATOM 1164 CA ASP A 73 4.636 19.008 -2.440 1.00 0.00 C ATOM 1165 C ASP A 73 4.884 19.684 -3.802 1.00 0.00 C ATOM 1166 O ASP A 73 4.006 20.311 -4.383 1.00 0.00 O ATOM 1167 CB ASP A 73 4.956 20.004 -1.310 1.00 0.00 C ATOM 1168 CG ASP A 73 6.459 20.345 -1.211 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.206 19.556 -0.633 1.00 0.00 O ATOM 1170 OD2 ASP A 73 6.863 21.390 -1.718 1.00 0.00 O ATOM 0 H ASP A 73 6.187 17.882 -1.583 1.00 0.00 H new ATOM 0 HA ASP A 73 3.588 18.711 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.391 20.922 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.621 19.587 -0.360 1.00 0.00 H new ATOM 1175 N ASN A 74 6.140 19.488 -4.255 1.00 0.00 N ATOM 1176 CA ASN A 74 6.625 20.054 -5.504 1.00 0.00 C ATOM 1177 C ASN A 74 6.857 18.997 -6.605 1.00 0.00 C ATOM 1178 O ASN A 74 7.349 19.320 -7.681 1.00 0.00 O ATOM 1179 CB ASN A 74 7.937 20.797 -5.195 1.00 0.00 C ATOM 1180 CG ASN A 74 9.018 19.864 -4.613 1.00 0.00 C ATOM 1181 OD1 ASN A 74 9.673 19.116 -5.324 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.157 19.952 -3.281 1.00 0.00 N ATOM 0 H ASN A 74 6.835 18.932 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 74 5.863 20.727 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.313 21.259 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.737 21.603 -4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.844 19.371 -2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.575 20.600 -2.749 1.00 0.00 H new ATOM 1189 N GLY A 75 6.487 17.737 -6.296 1.00 0.00 N ATOM 1190 CA GLY A 75 6.724 16.692 -7.294 1.00 0.00 C ATOM 1191 C GLY A 75 5.826 15.456 -7.217 1.00 0.00 C ATOM 1192 O GLY A 75 6.186 14.404 -7.716 1.00 0.00 O ATOM 0 H GLY A 75 6.052 17.437 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.611 17.134 -8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.761 16.366 -7.207 1.00 0.00 H new ATOM 1196 N GLY A 76 4.661 15.619 -6.574 1.00 0.00 N ATOM 1197 CA GLY A 76 3.679 14.544 -6.490 1.00 0.00 C ATOM 1198 C GLY A 76 4.098 13.253 -5.789 1.00 0.00 C ATOM 1199 O GLY A 76 3.813 13.073 -4.615 1.00 0.00 O ATOM 0 H GLY A 76 4.382 16.483 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.799 14.933 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.372 14.290 -7.505 1.00 0.00 H new ATOM 1203 N TYR A 77 4.750 12.356 -6.584 1.00 0.00 N ATOM 1204 CA TYR A 77 5.193 11.055 -6.081 1.00 0.00 C ATOM 1205 C TYR A 77 6.478 10.642 -6.786 1.00 0.00 C ATOM 1206 O TYR A 77 6.712 10.967 -7.942 1.00 0.00 O ATOM 1207 CB TYR A 77 4.148 9.939 -6.311 1.00 0.00 C ATOM 1208 CG TYR A 77 2.860 10.245 -5.612 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.913 11.044 -6.228 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.605 9.743 -4.347 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.722 11.371 -5.596 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.430 10.065 -3.687 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.484 10.898 -4.298 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.682 11.238 -3.626 1.00 0.00 O ATOM 0 H TYR A 77 4.971 12.524 -7.566 1.00 0.00 H new ATOM 0 HA TYR A 77 5.344 11.172 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.966 9.824 -7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.543 8.989 -5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.105 11.421 -7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.327 9.096 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.013 11.983 -6.098 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.243 9.672 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.682 10.822 -2.739 1.00 0.00 H new ATOM 1224 N TYR A 78 7.292 9.891 -6.007 1.00 0.00 N ATOM 1225 CA TYR A 78 8.551 9.381 -6.565 1.00 0.00 C ATOM 1226 C TYR A 78 8.839 7.948 -6.048 1.00 0.00 C ATOM 1227 O TYR A 78 8.829 7.700 -4.850 1.00 0.00 O ATOM 1228 CB TYR A 78 9.728 10.378 -6.366 1.00 0.00 C ATOM 1229 CG TYR A 78 10.477 10.349 -5.048 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.410 9.350 -4.794 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.291 11.327 -4.073 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.130 9.301 -3.610 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.013 11.298 -2.888 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.949 10.292 -2.643 1.00 0.00 C ATOM 1235 OH TYR A 78 12.668 10.274 -1.452 1.00 0.00 O ATOM 0 H TYR A 78 7.107 9.638 -5.036 1.00 0.00 H new ATOM 0 HA TYR A 78 8.441 9.299 -7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.450 10.203 -7.163 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.337 11.386 -6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.579 8.589 -5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.575 12.118 -4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.830 8.497 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.848 12.064 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 78 12.410 11.043 -0.902 1.00 0.00 H new ATOM 1245 N ILE A 79 9.069 7.031 -7.028 1.00 0.00 N ATOM 1246 CA ILE A 79 9.423 5.617 -6.753 1.00 0.00 C ATOM 1247 C ILE A 79 10.951 5.404 -6.870 1.00 0.00 C ATOM 1248 O ILE A 79 11.505 4.383 -6.487 1.00 0.00 O ATOM 1249 CB ILE A 79 8.513 4.548 -7.407 1.00 0.00 C ATOM 1250 CG1 ILE A 79 7.897 5.043 -8.727 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.497 3.963 -6.407 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.054 3.980 -9.439 1.00 0.00 C ATOM 0 H ILE A 79 9.014 7.253 -8.022 1.00 0.00 H new ATOM 0 HA ILE A 79 9.176 5.425 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 79 9.143 3.705 -7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.275 5.915 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.696 5.369 -9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.880 3.218 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.030 3.495 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.862 4.762 -6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.649 4.395 -10.362 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.678 3.117 -9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.234 3.671 -8.790 1.00 0.00 H new ATOM 1264 N SER A 80 11.573 6.470 -7.393 1.00 0.00 N ATOM 1265 CA SER A 80 13.003 6.636 -7.570 1.00 0.00 C ATOM 1266 C SER A 80 13.116 8.159 -7.656 1.00 0.00 C ATOM 1267 O SER A 80 12.315 8.778 -8.342 1.00 0.00 O ATOM 1268 CB SER A 80 13.540 6.005 -8.881 1.00 0.00 C ATOM 1269 OG SER A 80 14.504 6.788 -9.699 1.00 0.00 O ATOM 0 H SER A 80 11.050 7.282 -7.720 1.00 0.00 H new ATOM 0 HA SER A 80 13.577 6.154 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.015 5.058 -8.624 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.683 5.770 -9.512 1.00 0.00 H new ATOM 0 HG SER A 80 14.757 6.270 -10.491 1.00 0.00 H new ATOM 1275 N PRO A 81 14.101 8.788 -6.967 1.00 0.00 N ATOM 1276 CA PRO A 81 14.138 10.242 -6.996 1.00 0.00 C ATOM 1277 C PRO A 81 14.383 10.912 -8.358 1.00 0.00 C ATOM 1278 O PRO A 81 14.021 12.070 -8.528 1.00 0.00 O ATOM 1279 CB PRO A 81 15.170 10.617 -5.930 1.00 0.00 C ATOM 1280 CG PRO A 81 15.469 9.336 -5.151 1.00 0.00 C ATOM 1281 CD PRO A 81 15.099 8.194 -6.076 1.00 0.00 C ATOM 0 HA PRO A 81 13.143 10.634 -6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.076 11.013 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.782 11.392 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.521 9.286 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.890 9.295 -4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.964 7.828 -6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.692 7.346 -5.525 1.00 0.00 H new ATOM 1289 N ARG A 82 14.947 10.146 -9.327 1.00 0.00 N ATOM 1290 CA ARG A 82 15.158 10.776 -10.645 1.00 0.00 C ATOM 1291 C ARG A 82 13.858 10.732 -11.485 1.00 0.00 C ATOM 1292 O ARG A 82 13.688 11.505 -12.419 1.00 0.00 O ATOM 1293 CB ARG A 82 16.381 10.243 -11.423 1.00 0.00 C ATOM 1294 CG ARG A 82 16.173 9.053 -12.383 1.00 0.00 C ATOM 1295 CD ARG A 82 16.487 9.451 -13.826 1.00 0.00 C ATOM 1296 NE ARG A 82 17.928 9.440 -14.058 1.00 0.00 N ATOM 1297 CZ ARG A 82 18.465 9.336 -15.293 1.00 0.00 C ATOM 1298 NH1 ARG A 82 17.700 9.278 -16.377 1.00 0.00 N ATOM 1299 NH2 ARG A 82 19.782 9.288 -15.429 1.00 0.00 N ATOM 0 H ARG A 82 15.241 9.174 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 82 15.406 11.818 -10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.793 11.069 -12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.139 9.955 -10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.813 8.223 -12.083 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.143 8.702 -12.315 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.997 8.762 -14.514 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.087 10.444 -14.031 1.00 0.00 H new ATOM 0 HE ARG A 82 18.554 9.514 -13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.685 9.312 -16.287 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.128 9.200 -17.300 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.382 9.330 -14.605 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.196 9.209 -16.358 1.00 0.00 H new ATOM 1313 N ILE A 83 12.966 9.781 -11.100 1.00 0.00 N ATOM 1314 CA ILE A 83 11.674 9.606 -11.762 1.00 0.00 C ATOM 1315 C ILE A 83 10.532 9.938 -10.771 1.00 0.00 C ATOM 1316 O ILE A 83 10.039 9.129 -9.989 1.00 0.00 O ATOM 1317 CB ILE A 83 11.532 8.247 -12.458 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.652 7.081 -11.481 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.472 8.068 -13.655 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.433 6.184 -11.569 1.00 0.00 C ATOM 0 H ILE A 83 13.132 9.130 -10.332 1.00 0.00 H new ATOM 0 HA ILE A 83 11.605 10.317 -12.585 1.00 0.00 H new ATOM 0 HB ILE A 83 10.520 8.240 -12.862 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.551 6.505 -11.702 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.759 7.460 -10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.315 7.084 -14.097 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.264 8.837 -14.399 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.506 8.156 -13.322 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.537 5.358 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.540 6.759 -11.324 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.344 5.789 -12.581 1.00 0.00 H new ATOM 1332 N THR A 84 10.169 11.224 -10.927 1.00 0.00 N ATOM 1333 CA THR A 84 9.138 11.911 -10.165 1.00 0.00 C ATOM 1334 C THR A 84 7.955 12.194 -11.119 1.00 0.00 C ATOM 1335 O THR A 84 8.129 12.324 -12.326 1.00 0.00 O ATOM 1336 CB THR A 84 9.818 13.221 -9.686 1.00 0.00 C ATOM 1337 OG1 THR A 84 11.269 13.252 -9.449 1.00 0.00 O ATOM 1338 CG2 THR A 84 9.083 13.754 -8.452 1.00 0.00 C ATOM 0 H THR A 84 10.611 11.829 -11.619 1.00 0.00 H new ATOM 0 HA THR A 84 8.749 11.346 -9.318 1.00 0.00 H new ATOM 0 HB THR A 84 9.726 13.857 -10.566 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.533 14.149 -9.154 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.559 14.674 -8.114 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.043 13.956 -8.707 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.123 13.011 -7.655 1.00 0.00 H new ATOM 1346 N PHE A 85 6.757 12.273 -10.499 1.00 0.00 N ATOM 1347 CA PHE A 85 5.504 12.441 -11.265 1.00 0.00 C ATOM 1348 C PHE A 85 4.536 13.325 -10.458 1.00 0.00 C ATOM 1349 O PHE A 85 4.470 13.194 -9.250 1.00 0.00 O ATOM 1350 CB PHE A 85 4.874 11.043 -11.522 1.00 0.00 C ATOM 1351 CG PHE A 85 5.788 10.180 -12.357 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.856 9.518 -11.761 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.633 10.090 -13.737 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.805 8.869 -12.529 1.00 0.00 C ATOM 1355 CE2 PHE A 85 6.557 9.393 -14.507 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.656 8.792 -13.905 1.00 0.00 C ATOM 0 H PHE A 85 6.632 12.224 -9.488 1.00 0.00 H new ATOM 0 HA PHE A 85 5.707 12.920 -12.223 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.673 10.551 -10.570 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.916 11.160 -12.029 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.945 9.511 -10.685 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.788 10.565 -14.213 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.666 8.420 -12.055 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.420 9.318 -15.576 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.387 8.270 -14.504 1.00 0.00 H new ATOM 1366 N PRO A 86 3.744 14.207 -11.142 1.00 0.00 N ATOM 1367 CA PRO A 86 2.827 15.132 -10.452 1.00 0.00 C ATOM 1368 C PRO A 86 1.725 14.463 -9.603 1.00 0.00 C ATOM 1369 O PRO A 86 1.149 15.086 -8.719 1.00 0.00 O ATOM 1370 CB PRO A 86 2.207 15.954 -11.597 1.00 0.00 C ATOM 1371 CG PRO A 86 2.390 15.093 -12.850 1.00 0.00 C ATOM 1372 CD PRO A 86 3.675 14.308 -12.599 1.00 0.00 C ATOM 0 HA PRO A 86 3.377 15.718 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.153 16.159 -11.410 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.704 16.918 -11.705 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.541 14.425 -12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.471 15.709 -13.745 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.640 13.324 -13.067 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.545 14.824 -13.006 1.00 0.00 H new ATOM 1380 N THR A 87 1.493 13.168 -9.897 1.00 0.00 N ATOM 1381 CA THR A 87 0.502 12.376 -9.175 1.00 0.00 C ATOM 1382 C THR A 87 0.742 10.923 -9.559 1.00 0.00 C ATOM 1383 O THR A 87 1.527 10.630 -10.456 1.00 0.00 O ATOM 1384 CB THR A 87 -0.973 12.705 -9.540 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.037 11.977 -8.846 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.153 12.795 -11.067 1.00 0.00 C ATOM 0 H THR A 87 1.983 12.657 -10.631 1.00 0.00 H new ATOM 0 HA THR A 87 0.623 12.593 -8.114 1.00 0.00 H new ATOM 0 HB THR A 87 -1.133 13.694 -9.110 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.909 12.284 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.193 13.026 -11.298 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.510 13.581 -11.463 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.884 11.842 -11.522 1.00 0.00 H new ATOM 1394 N LEU A 88 0.000 10.024 -8.865 1.00 0.00 N ATOM 1395 CA LEU A 88 0.143 8.628 -9.221 1.00 0.00 C ATOM 1396 C LEU A 88 -0.351 8.419 -10.666 1.00 0.00 C ATOM 1397 O LEU A 88 0.231 7.598 -11.346 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.705 7.641 -8.380 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.167 7.082 -7.077 1.00 0.00 C ATOM 1400 CD1 LEU A 88 1.102 6.294 -7.233 1.00 0.00 C ATOM 1401 CD2 LEU A 88 0.066 8.044 -5.969 1.00 0.00 C ATOM 0 H LEU A 88 -0.654 10.236 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 88 1.200 8.418 -9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.647 8.140 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.941 6.792 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.006 6.445 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.425 5.927 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.926 5.449 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.878 6.933 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.450 7.511 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.791 8.794 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.872 8.534 -5.709 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.390 9.156 -11.152 1.00 0.00 N ATOM 1414 CA GLN A 89 -1.829 8.745 -12.511 1.00 0.00 C ATOM 1415 C GLN A 89 -0.781 8.907 -13.615 1.00 0.00 C ATOM 1416 O GLN A 89 -0.717 8.083 -14.510 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.248 9.130 -12.940 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.633 10.589 -12.811 1.00 0.00 C ATOM 1419 CD GLN A 89 -2.964 11.565 -13.800 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.397 11.003 -14.882 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -2.983 12.770 -13.600 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.879 9.929 -10.700 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.920 7.669 -12.364 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.379 8.836 -13.981 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.951 8.541 -12.352 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.713 10.669 -12.930 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.399 10.916 -11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.428 13.141 -12.760 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.554 13.405 -14.273 1.00 0.00 H new ATOM 1430 N ALA A 90 0.046 9.961 -13.510 1.00 0.00 N ATOM 1431 CA ALA A 90 1.076 10.177 -14.530 1.00 0.00 C ATOM 1432 C ALA A 90 2.201 9.108 -14.469 1.00 0.00 C ATOM 1433 O ALA A 90 3.054 9.009 -15.341 1.00 0.00 O ATOM 1434 CB ALA A 90 1.644 11.590 -14.362 1.00 0.00 C ATOM 0 H ALA A 90 0.023 10.650 -12.759 1.00 0.00 H new ATOM 0 HA ALA A 90 0.619 10.076 -15.514 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.412 11.765 -15.115 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.844 12.320 -14.483 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.080 11.691 -13.368 1.00 0.00 H new ATOM 1440 N LEU A 91 2.121 8.326 -13.385 1.00 0.00 N ATOM 1441 CA LEU A 91 2.987 7.213 -13.053 1.00 0.00 C ATOM 1442 C LEU A 91 2.303 5.907 -13.540 1.00 0.00 C ATOM 1443 O LEU A 91 2.946 5.035 -14.109 1.00 0.00 O ATOM 1444 CB LEU A 91 3.290 7.401 -11.547 1.00 0.00 C ATOM 1445 CG LEU A 91 3.551 6.179 -10.662 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.329 6.575 -9.399 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.242 5.525 -10.258 1.00 0.00 C ATOM 0 H LEU A 91 1.400 8.472 -12.678 1.00 0.00 H new ATOM 0 HA LEU A 91 3.956 7.157 -13.548 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.163 8.050 -11.470 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.450 7.943 -11.112 1.00 0.00 H new ATOM 0 HG LEU A 91 4.146 5.472 -11.240 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.502 5.690 -8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.286 7.013 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.752 7.303 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.447 4.658 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.634 6.240 -9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.704 5.207 -11.151 1.00 0.00 H new ATOM 1459 N VAL A 92 0.961 5.848 -13.340 1.00 0.00 N ATOM 1460 CA VAL A 92 0.140 4.713 -13.738 1.00 0.00 C ATOM 1461 C VAL A 92 -0.175 4.763 -15.265 1.00 0.00 C ATOM 1462 O VAL A 92 -0.673 3.797 -15.821 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.172 4.659 -12.885 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.681 3.243 -12.712 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -1.094 5.168 -11.435 1.00 0.00 C ATOM 0 H VAL A 92 0.432 6.598 -12.895 1.00 0.00 H new ATOM 0 HA VAL A 92 0.701 3.798 -13.549 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.810 5.317 -13.476 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.592 3.254 -12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.894 2.811 -13.690 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.923 2.643 -12.208 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.072 5.073 -10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.364 4.578 -10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.791 6.215 -11.433 1.00 0.00 H new ATOM 1475 N GLN A 93 0.157 5.921 -15.898 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.064 6.201 -17.322 1.00 0.00 C ATOM 1477 C GLN A 93 1.169 5.716 -18.100 1.00 0.00 C ATOM 1478 O GLN A 93 1.103 5.002 -19.096 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.344 7.711 -17.597 1.00 0.00 C ATOM 1480 CG GLN A 93 0.873 8.608 -17.894 1.00 0.00 C ATOM 1481 CD GLN A 93 0.497 10.079 -18.081 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -0.566 10.543 -17.690 1.00 0.00 O ATOM 1483 NE2 GLN A 93 1.457 10.778 -18.701 1.00 0.00 N ATOM 0 H GLN A 93 0.597 6.700 -15.408 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.956 5.669 -17.653 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.029 7.780 -18.442 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.864 8.122 -16.731 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.589 8.522 -17.077 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.372 8.249 -18.794 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.316 10.314 -18.996 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.329 11.774 -18.878 1.00 0.00 H new ATOM 1492 N HIS A 94 2.302 6.168 -17.513 1.00 0.00 N ATOM 1493 CA HIS A 94 3.648 5.920 -17.990 1.00 0.00 C ATOM 1494 C HIS A 94 3.904 4.420 -18.052 1.00 0.00 C ATOM 1495 O HIS A 94 4.376 3.905 -19.056 1.00 0.00 O ATOM 1496 CB HIS A 94 4.617 6.640 -17.033 1.00 0.00 C ATOM 1497 CG HIS A 94 6.075 6.455 -17.404 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.070 6.586 -16.504 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.650 6.144 -18.649 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.212 6.362 -17.170 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.989 6.093 -18.471 1.00 0.00 N ATOM 0 H HIS A 94 2.284 6.734 -16.665 1.00 0.00 H new ATOM 0 HA HIS A 94 3.794 6.304 -18.999 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.384 7.705 -17.024 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.457 6.271 -16.020 1.00 0.00 H new ATOM 0 HD1 HIS A 94 6.973 6.811 -15.514 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.120 5.977 -19.575 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.192 6.393 -16.718 1.00 0.00 H new ATOM 1509 N TYR A 95 3.528 3.757 -16.937 1.00 0.00 N ATOM 1510 CA TYR A 95 3.737 2.315 -16.863 1.00 0.00 C ATOM 1511 C TYR A 95 2.734 1.538 -17.710 1.00 0.00 C ATOM 1512 O TYR A 95 3.016 0.406 -18.080 1.00 0.00 O ATOM 1513 CB TYR A 95 3.818 1.832 -15.407 1.00 0.00 C ATOM 1514 CG TYR A 95 4.819 2.608 -14.591 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.908 3.253 -15.172 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.634 2.734 -13.223 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.746 4.064 -14.432 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.458 3.548 -12.471 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.490 4.264 -13.077 1.00 0.00 C ATOM 1520 OH TYR A 95 7.209 5.198 -12.353 1.00 0.00 O ATOM 0 H TYR A 95 3.098 4.183 -16.116 1.00 0.00 H new ATOM 0 HA TYR A 95 4.709 2.101 -17.307 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.834 1.918 -14.945 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.086 0.775 -15.393 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.102 3.116 -16.226 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.836 2.189 -12.740 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.594 4.540 -14.901 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.302 3.631 -11.406 1.00 0.00 H new ATOM 0 HH TYR A 95 6.590 5.806 -11.897 1.00 0.00 H new ATOM 1530 N SER A 96 1.578 2.178 -18.034 1.00 0.00 N ATOM 1531 CA SER A 96 0.615 1.447 -18.872 1.00 0.00 C ATOM 1532 C SER A 96 1.213 1.043 -20.231 1.00 0.00 C ATOM 1533 O SER A 96 0.787 0.048 -20.804 1.00 0.00 O ATOM 1534 CB SER A 96 -0.703 2.250 -19.112 1.00 0.00 C ATOM 1535 OG SER A 96 -1.615 2.593 -17.994 1.00 0.00 O ATOM 0 H SER A 96 1.311 3.121 -17.751 1.00 0.00 H new ATOM 0 HA SER A 96 0.375 0.545 -18.309 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.420 3.188 -19.589 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.289 1.687 -19.838 1.00 0.00 H new ATOM 0 HG SER A 96 -1.106 3.027 -17.278 1.00 0.00 H new ATOM 1541 N LYS A 97 2.189 1.849 -20.718 1.00 0.00 N ATOM 1542 CA LYS A 97 2.836 1.527 -21.995 1.00 0.00 C ATOM 1543 C LYS A 97 4.330 1.244 -21.843 1.00 0.00 C ATOM 1544 O LYS A 97 4.930 0.667 -22.744 1.00 0.00 O ATOM 1545 CB LYS A 97 2.625 2.667 -23.010 1.00 0.00 C ATOM 1546 CG LYS A 97 1.243 2.679 -23.676 1.00 0.00 C ATOM 1547 CD LYS A 97 0.078 2.915 -22.710 1.00 0.00 C ATOM 1548 CE LYS A 97 -1.227 3.289 -23.414 1.00 0.00 C ATOM 1549 NZ LYS A 97 -1.785 2.165 -24.159 1.00 0.00 N ATOM 0 H LYS A 97 2.529 2.694 -20.259 1.00 0.00 H new ATOM 0 HA LYS A 97 2.365 0.615 -22.362 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.779 3.620 -22.504 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.387 2.592 -23.785 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.228 3.456 -24.441 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.090 1.727 -24.185 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.082 2.014 -22.118 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.348 3.709 -22.014 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.952 3.631 -22.676 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.047 4.122 -24.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.669 2.460 -24.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.104 1.854 -24.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.981 1.379 -23.507 1.00 0.00 H new ATOM 1563 N LYS A 98 4.908 1.607 -20.678 1.00 0.00 N ATOM 1564 CA LYS A 98 6.313 1.347 -20.488 1.00 0.00 C ATOM 1565 C LYS A 98 6.638 1.517 -18.991 1.00 0.00 C ATOM 1566 O LYS A 98 6.759 2.623 -18.480 1.00 0.00 O ATOM 1567 CB LYS A 98 7.060 2.367 -21.375 1.00 0.00 C ATOM 1568 CG LYS A 98 8.427 1.864 -21.769 1.00 0.00 C ATOM 1569 CD LYS A 98 9.514 2.360 -20.823 1.00 0.00 C ATOM 1570 CE LYS A 98 10.763 1.504 -20.949 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.940 2.157 -20.385 1.00 0.00 N ATOM 0 H LYS A 98 4.432 2.060 -19.898 1.00 0.00 H new ATOM 0 HA LYS A 98 6.611 0.337 -20.770 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.474 2.569 -22.271 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.159 3.311 -20.840 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.423 0.774 -21.777 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.654 2.190 -22.784 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.754 3.399 -21.049 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.150 2.333 -19.796 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.601 0.552 -20.444 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.943 1.280 -22.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.533 1.450 -19.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.486 2.608 -21.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.641 2.880 -19.699 1.00 0.00 H new ATOM 1585 N GLY A 99 6.798 0.336 -18.346 1.00 0.00 N ATOM 1586 CA GLY A 99 7.079 0.178 -16.916 1.00 0.00 C ATOM 1587 C GLY A 99 8.254 1.016 -16.414 1.00 0.00 C ATOM 1588 O GLY A 99 8.310 1.445 -15.271 1.00 0.00 O ATOM 0 H GLY A 99 6.731 -0.558 -18.833 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.187 0.447 -16.350 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.282 -0.873 -16.711 1.00 0.00 H new ATOM 1592 N ASP A 100 9.196 1.182 -17.356 1.00 0.00 N ATOM 1593 CA ASP A 100 10.395 1.988 -17.151 1.00 0.00 C ATOM 1594 C ASP A 100 11.146 1.662 -15.845 1.00 0.00 C ATOM 1595 O ASP A 100 11.254 2.464 -14.926 1.00 0.00 O ATOM 1596 CB ASP A 100 10.031 3.482 -17.252 1.00 0.00 C ATOM 1597 CG ASP A 100 11.281 4.365 -17.413 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.989 4.197 -18.405 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.536 5.201 -16.549 1.00 0.00 O ATOM 0 H ASP A 100 9.141 0.757 -18.282 1.00 0.00 H new ATOM 0 HA ASP A 100 11.100 1.734 -17.943 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.365 3.637 -18.100 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.485 3.784 -16.358 1.00 0.00 H new ATOM 1604 N GLY A 101 11.653 0.421 -15.852 1.00 0.00 N ATOM 1605 CA GLY A 101 12.443 -0.057 -14.715 1.00 0.00 C ATOM 1606 C GLY A 101 11.642 -0.745 -13.602 1.00 0.00 C ATOM 1607 O GLY A 101 12.216 -1.275 -12.659 1.00 0.00 O ATOM 0 H GLY A 101 11.534 -0.251 -16.610 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.194 -0.755 -15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.978 0.789 -14.285 1.00 0.00 H new ATOM 1611 N LEU A 102 10.298 -0.733 -13.759 1.00 0.00 N ATOM 1612 CA LEU A 102 9.426 -1.392 -12.784 1.00 0.00 C ATOM 1613 C LEU A 102 9.518 -2.930 -12.914 1.00 0.00 C ATOM 1614 O LEU A 102 8.966 -3.656 -12.097 1.00 0.00 O ATOM 1615 CB LEU A 102 7.964 -0.950 -13.016 1.00 0.00 C ATOM 1616 CG LEU A 102 7.473 0.303 -12.258 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.993 0.140 -11.936 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.194 0.601 -10.940 1.00 0.00 C ATOM 0 H LEU A 102 9.812 -0.283 -14.535 1.00 0.00 H new ATOM 0 HA LEU A 102 9.750 -1.105 -11.784 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.831 -0.772 -14.083 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.314 -1.783 -12.748 1.00 0.00 H new ATOM 0 HG LEU A 102 7.684 1.137 -12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.638 1.021 -11.401 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.429 0.027 -12.862 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.851 -0.744 -11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.773 1.500 -10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.068 -0.240 -10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.256 0.755 -11.133 1.00 0.00 H new ATOM 1630 N CYS A 103 10.215 -3.369 -13.992 1.00 0.00 N ATOM 1631 CA CYS A 103 10.442 -4.769 -14.339 1.00 0.00 C ATOM 1632 C CYS A 103 9.152 -5.500 -14.759 1.00 0.00 C ATOM 1633 O CYS A 103 9.190 -6.672 -15.102 1.00 0.00 O ATOM 1634 CB CYS A 103 11.230 -5.531 -13.253 1.00 0.00 C ATOM 1635 SG CYS A 103 10.334 -6.037 -11.761 1.00 0.00 S ATOM 0 H CYS A 103 10.643 -2.726 -14.657 1.00 0.00 H new ATOM 0 HA CYS A 103 11.079 -4.757 -15.223 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.652 -6.426 -13.711 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.068 -4.905 -12.945 1.00 0.00 H new ATOM 0 HG CYS A 103 9.498 -5.102 -11.419 1.00 0.00 H new ATOM 1641 N GLN A 104 8.038 -4.727 -14.731 1.00 0.00 N ATOM 1642 CA GLN A 104 6.705 -5.185 -15.055 1.00 0.00 C ATOM 1643 C GLN A 104 5.866 -3.921 -15.236 1.00 0.00 C ATOM 1644 O GLN A 104 5.618 -3.155 -14.313 1.00 0.00 O ATOM 1645 CB GLN A 104 6.086 -5.988 -13.886 1.00 0.00 C ATOM 1646 CG GLN A 104 6.829 -7.235 -13.391 1.00 0.00 C ATOM 1647 CD GLN A 104 7.017 -8.299 -14.481 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.438 -8.235 -15.556 1.00 0.00 O ATOM 1649 NE2 GLN A 104 7.882 -9.266 -14.142 1.00 0.00 N ATOM 0 H GLN A 104 8.066 -3.741 -14.472 1.00 0.00 H new ATOM 0 HA GLN A 104 6.733 -5.825 -15.937 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.972 -5.310 -13.040 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.084 -6.294 -14.186 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.806 -6.940 -13.008 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.278 -7.671 -12.558 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.328 -9.253 -13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.094 -10.014 -14.802 1.00 0.00 H new ATOM 1658 N LYS A 105 5.463 -3.778 -16.504 1.00 0.00 N ATOM 1659 CA LYS A 105 4.651 -2.681 -16.981 1.00 0.00 C ATOM 1660 C LYS A 105 3.174 -3.088 -16.882 1.00 0.00 C ATOM 1661 O LYS A 105 2.835 -4.260 -16.954 1.00 0.00 O ATOM 1662 CB LYS A 105 5.220 -2.283 -18.340 1.00 0.00 C ATOM 1663 CG LYS A 105 4.873 -3.122 -19.575 1.00 0.00 C ATOM 1664 CD LYS A 105 3.496 -2.834 -20.128 1.00 0.00 C ATOM 1665 CE LYS A 105 3.550 -1.695 -21.111 1.00 0.00 C ATOM 1666 NZ LYS A 105 4.145 -2.048 -22.400 1.00 0.00 N ATOM 0 H LYS A 105 5.705 -4.446 -17.236 1.00 0.00 H new ATOM 0 HA LYS A 105 4.684 -1.768 -16.387 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.903 -1.259 -18.540 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.306 -2.269 -18.249 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.615 -2.936 -20.352 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.939 -4.179 -19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.100 -3.725 -20.616 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.815 -2.587 -19.314 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.538 -1.325 -21.279 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.120 -0.876 -20.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.637 -1.221 -22.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.824 -2.824 -22.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.397 -2.351 -23.056 1.00 0.00 H new ATOM 1680 N LEU A 106 2.336 -2.043 -16.709 1.00 0.00 N ATOM 1681 CA LEU A 106 0.900 -2.237 -16.473 1.00 0.00 C ATOM 1682 C LEU A 106 0.126 -2.856 -17.634 1.00 0.00 C ATOM 1683 O LEU A 106 0.493 -2.767 -18.798 1.00 0.00 O ATOM 1684 CB LEU A 106 0.083 -1.013 -15.991 1.00 0.00 C ATOM 1685 CG LEU A 106 0.788 0.036 -15.126 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.188 0.749 -14.177 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.845 -0.570 -14.238 1.00 0.00 C ATOM 0 H LEU A 106 2.631 -1.067 -16.729 1.00 0.00 H new ATOM 0 HA LEU A 106 0.977 -2.940 -15.644 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.309 -0.507 -16.873 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.774 -1.385 -15.430 1.00 0.00 H new ATOM 0 HG LEU A 106 1.228 0.731 -15.842 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.354 1.484 -13.583 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.960 1.251 -14.760 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.651 0.018 -13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.315 0.214 -13.645 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.386 -1.302 -13.573 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.599 -1.061 -14.853 1.00 0.00 H new ATOM 1699 N THR A 107 -0.994 -3.474 -17.208 1.00 0.00 N ATOM 1700 CA THR A 107 -1.898 -4.116 -18.150 1.00 0.00 C ATOM 1701 C THR A 107 -3.342 -3.874 -17.740 1.00 0.00 C ATOM 1702 O THR A 107 -4.048 -3.087 -18.359 1.00 0.00 O ATOM 1703 CB THR A 107 -1.580 -5.628 -18.333 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.966 -6.628 -17.328 1.00 0.00 O ATOM 1705 CG2 THR A 107 -0.094 -5.764 -18.748 1.00 0.00 C ATOM 0 H THR A 107 -1.281 -3.536 -16.231 1.00 0.00 H new ATOM 0 HA THR A 107 -1.746 -3.661 -19.129 1.00 0.00 H new ATOM 0 HB THR A 107 -2.292 -5.922 -19.104 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.681 -7.517 -17.625 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.151 -6.818 -18.882 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.073 -5.231 -19.684 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.541 -5.340 -17.971 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.722 -4.583 -16.654 1.00 0.00 N ATOM 1714 CA LEU A 108 -5.101 -4.454 -16.180 1.00 0.00 C ATOM 1715 C LEU A 108 -5.116 -4.398 -14.643 1.00 0.00 C ATOM 1716 O LEU A 108 -4.772 -5.371 -13.998 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.920 -5.679 -16.603 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.815 -6.084 -18.080 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -6.264 -7.534 -18.278 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.617 -5.130 -18.973 1.00 0.00 C ATOM 0 H LEU A 108 -3.125 -5.215 -16.120 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.526 -3.546 -16.607 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.610 -6.527 -15.992 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.968 -5.487 -16.374 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.768 -6.012 -18.376 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.181 -7.800 -19.332 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.631 -8.195 -17.686 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.300 -7.641 -17.957 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.524 -5.441 -20.013 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.667 -5.153 -18.680 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.231 -4.117 -18.862 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.558 -3.269 -14.043 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.579 -3.152 -12.588 1.00 0.00 C ATOM 1734 C PRO A 109 -6.689 -4.045 -11.981 1.00 0.00 C ATOM 1735 O PRO A 109 -7.880 -3.813 -12.125 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.814 -1.659 -12.369 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.598 -1.205 -13.603 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.132 -2.131 -14.735 1.00 0.00 C ATOM 0 HA PRO A 109 -4.668 -3.493 -12.097 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.376 -1.477 -11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.872 -1.119 -12.277 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.673 -1.290 -13.441 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.393 -0.161 -13.838 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.963 -2.430 -15.374 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.398 -1.641 -15.375 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.135 -5.079 -11.318 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.726 -6.208 -10.593 1.00 0.00 C ATOM 1748 C CYS A 110 -8.252 -6.466 -10.792 1.00 0.00 C ATOM 1749 O CYS A 110 -8.824 -6.253 -11.853 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.245 -6.192 -9.133 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.205 -7.845 -8.391 1.00 0.00 S ATOM 0 H CYS A 110 -5.118 -5.144 -11.277 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.343 -7.108 -11.073 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.248 -5.754 -9.088 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.902 -5.550 -8.546 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.142 -7.941 -7.495 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.851 -6.986 -9.697 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.260 -7.363 -9.642 1.00 0.00 C ATOM 1759 C VAL A 111 -10.747 -7.188 -8.192 1.00 0.00 C ATOM 1760 O VAL A 111 -9.989 -7.311 -7.238 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.422 -8.838 -10.081 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.530 -8.981 -11.605 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -9.287 -9.722 -9.531 1.00 0.00 C ATOM 0 H VAL A 111 -8.354 -7.153 -8.822 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.848 -6.735 -10.312 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.361 -9.186 -9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.642 -10.034 -11.865 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -11.397 -8.425 -11.962 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.628 -8.586 -12.072 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -9.435 -10.751 -9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.329 -9.357 -9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.293 -9.685 -8.442 1.00 0.00 H new ATOM 1773 N ASN A 112 -12.069 -6.909 -8.118 1.00 0.00 N ATOM 1774 CA ASN A 112 -12.828 -6.669 -6.885 1.00 0.00 C ATOM 1775 C ASN A 112 -12.478 -7.662 -5.749 1.00 0.00 C ATOM 1776 O ASN A 112 -12.238 -7.260 -4.617 1.00 0.00 O ATOM 1777 CB ASN A 112 -14.333 -6.694 -7.205 1.00 0.00 C ATOM 1778 CG ASN A 112 -14.668 -5.672 -8.303 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -14.662 -5.982 -9.486 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -14.941 -4.443 -7.838 1.00 0.00 N ATOM 0 H ASN A 112 -12.652 -6.844 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 112 -12.547 -5.686 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -14.625 -7.693 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -14.906 -6.470 -6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -15.164 -3.689 -8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.926 -4.263 -6.834 1.00 0.00 H new ATOM 1787 N LEU A 113 -12.460 -8.959 -6.127 1.00 0.00 N ATOM 1788 CA LEU A 113 -12.140 -10.049 -5.201 1.00 0.00 C ATOM 1789 C LEU A 113 -10.929 -10.851 -5.716 1.00 0.00 C ATOM 1790 O LEU A 113 -10.630 -10.859 -6.902 1.00 0.00 O ATOM 1791 CB LEU A 113 -13.380 -10.926 -4.935 1.00 0.00 C ATOM 1792 CG LEU A 113 -14.249 -11.296 -6.157 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -13.519 -12.176 -7.178 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -15.529 -12.001 -5.688 1.00 0.00 C ATOM 0 H LEU A 113 -12.666 -9.270 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 113 -11.852 -9.629 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -13.047 -11.850 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -14.012 -10.409 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.490 -10.362 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -14.187 -12.398 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -12.640 -11.650 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -13.211 -13.107 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.139 -12.260 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.266 -12.908 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.092 -11.336 -5.033 1.00 0.00 H new ATOM 1806 N ALA A 114 -10.239 -11.488 -4.746 1.00 0.00 N ATOM 1807 CA ALA A 114 -9.049 -12.285 -5.055 1.00 0.00 C ATOM 1808 C ALA A 114 -9.409 -13.763 -5.339 1.00 0.00 C ATOM 1809 O ALA A 114 -10.480 -14.209 -4.928 1.00 0.00 O ATOM 1810 CB ALA A 114 -8.073 -12.186 -3.876 1.00 0.00 C ATOM 1811 OXT ALA A 114 -8.606 -14.453 -5.969 1.00 0.00 O ATOM 0 H ALA A 114 -10.487 -11.463 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.585 -11.891 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.181 -12.775 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.792 -11.144 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.551 -12.569 -2.974 1.00 0.00 H new TER 1817 ALA A 114