USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0045 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= -0.108 (180deg=-0.729) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.5) USER MOD Single : A 24 SER OG : rot 150:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0923 USER MOD Single : A 37 GLN : amide:sc= -0.0483 X(o=-0.048,f=-0.027) USER MOD Single : A 38 GLN : amide:sc= -2.23 X(o=-2.2,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -2.97! C(o=-3!,f=-5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -78:sc= -1.14! USER MOD Single : A 63 GLN : amide:sc= -0.753 K(o=-0.75,f=-1.3) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.05! C(o=-3!,f=-6.1!) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.83 F(o=-8.1!,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -6:sc= -6.39! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -5.13! C(o=-5.1!,f=-5.6!) USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00359) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 36:sc= 1.05 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.653 -5.213 -36.541 1.00 0.00 N ATOM 2 CA GLY A 1 -16.733 -5.120 -35.577 1.00 0.00 C ATOM 3 C GLY A 1 -16.235 -5.124 -34.146 1.00 0.00 C ATOM 4 O GLY A 1 -15.318 -5.870 -33.803 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.465 -4.273 -36.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.796 -5.565 -36.069 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.923 -5.868 -37.302 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.300 -4.207 -35.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.418 -5.955 -35.722 1.00 0.00 H new ATOM 8 N SER A 2 -16.839 -4.288 -33.308 1.00 0.00 N ATOM 9 CA SER A 2 -16.447 -4.194 -31.906 1.00 0.00 C ATOM 10 C SER A 2 -17.384 -3.264 -31.141 1.00 0.00 C ATOM 11 O SER A 2 -18.083 -2.444 -31.736 1.00 0.00 O ATOM 12 CB SER A 2 -15.006 -3.693 -31.790 1.00 0.00 C ATOM 13 OG SER A 2 -14.571 -3.699 -30.441 1.00 0.00 O ATOM 0 H SER A 2 -17.602 -3.666 -33.575 1.00 0.00 H new ATOM 0 HA SER A 2 -16.514 -5.190 -31.468 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.349 -4.323 -32.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.935 -2.683 -32.194 1.00 0.00 H new ATOM 0 HG SER A 2 -13.647 -3.376 -30.394 1.00 0.00 H new ATOM 19 N SER A 3 -17.391 -3.398 -29.819 1.00 0.00 N ATOM 20 CA SER A 3 -18.244 -2.573 -28.972 1.00 0.00 C ATOM 21 C SER A 3 -17.871 -2.738 -27.501 1.00 0.00 C ATOM 22 O SER A 3 -17.142 -3.658 -27.133 1.00 0.00 O ATOM 23 CB SER A 3 -19.714 -2.939 -29.181 1.00 0.00 C ATOM 24 OG SER A 3 -19.938 -4.315 -28.930 1.00 0.00 O ATOM 0 H SER A 3 -16.816 -4.070 -29.311 1.00 0.00 H new ATOM 0 HA SER A 3 -18.094 -1.531 -29.253 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.339 -2.339 -28.519 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.010 -2.700 -30.202 1.00 0.00 H new ATOM 0 HG SER A 3 -20.886 -4.523 -29.069 1.00 0.00 H new ATOM 30 N GLY A 4 -18.379 -1.838 -26.664 1.00 0.00 N ATOM 31 CA GLY A 4 -18.089 -1.901 -25.243 1.00 0.00 C ATOM 32 C GLY A 4 -18.019 -0.528 -24.605 1.00 0.00 C ATOM 33 O GLY A 4 -16.957 0.093 -24.568 1.00 0.00 O ATOM 0 H GLY A 4 -18.985 -1.067 -26.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.858 -2.491 -24.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.141 -2.418 -25.091 1.00 0.00 H new ATOM 37 N SER A 5 -19.153 -0.052 -24.102 1.00 0.00 N ATOM 38 CA SER A 5 -19.217 1.259 -23.467 1.00 0.00 C ATOM 39 C SER A 5 -19.322 1.124 -21.951 1.00 0.00 C ATOM 40 O SER A 5 -20.397 0.861 -21.413 1.00 0.00 O ATOM 41 CB SER A 5 -20.411 2.051 -24.003 1.00 0.00 C ATOM 42 OG SER A 5 -20.314 2.235 -25.405 1.00 0.00 O ATOM 0 H SER A 5 -20.040 -0.555 -24.122 1.00 0.00 H new ATOM 0 HA SER A 5 -18.298 1.795 -23.704 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.336 1.526 -23.765 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.459 3.021 -23.508 1.00 0.00 H new ATOM 0 HG SER A 5 -21.090 2.742 -25.723 1.00 0.00 H new ATOM 48 N SER A 6 -18.196 1.306 -21.268 1.00 0.00 N ATOM 49 CA SER A 6 -18.158 1.201 -19.814 1.00 0.00 C ATOM 50 C SER A 6 -17.249 2.269 -19.215 1.00 0.00 C ATOM 51 O SER A 6 -16.166 2.539 -19.732 1.00 0.00 O ATOM 52 CB SER A 6 -17.676 -0.189 -19.394 1.00 0.00 C ATOM 53 OG SER A 6 -16.397 -0.470 -19.936 1.00 0.00 O ATOM 0 H SER A 6 -17.298 1.527 -21.698 1.00 0.00 H new ATOM 0 HA SER A 6 -19.169 1.357 -19.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.635 -0.250 -18.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.390 -0.942 -19.729 1.00 0.00 H new ATOM 0 HG SER A 6 -16.110 -1.363 -19.652 1.00 0.00 H new ATOM 59 N GLY A 7 -17.699 2.875 -18.120 1.00 0.00 N ATOM 60 CA GLY A 7 -16.915 3.908 -17.468 1.00 0.00 C ATOM 61 C GLY A 7 -17.704 4.654 -16.411 1.00 0.00 C ATOM 62 O GLY A 7 -18.804 5.140 -16.675 1.00 0.00 O ATOM 0 H GLY A 7 -18.592 2.669 -17.673 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.035 3.457 -17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.557 4.615 -18.216 1.00 0.00 H new ATOM 66 N LEU A 8 -17.142 4.744 -15.210 1.00 0.00 N ATOM 67 CA LEU A 8 -17.801 5.436 -14.108 1.00 0.00 C ATOM 68 C LEU A 8 -17.406 6.909 -14.075 1.00 0.00 C ATOM 69 O LEU A 8 -16.327 7.298 -14.521 1.00 0.00 O ATOM 70 CB LEU A 8 -17.445 4.771 -12.777 1.00 0.00 C ATOM 71 CG LEU A 8 -18.060 3.393 -12.530 1.00 0.00 C ATOM 72 CD1 LEU A 8 -17.437 2.743 -11.304 1.00 0.00 C ATOM 73 CD2 LEU A 8 -19.569 3.504 -12.368 1.00 0.00 C ATOM 0 H LEU A 8 -16.232 4.347 -14.975 1.00 0.00 H new ATOM 0 HA LEU A 8 -18.878 5.371 -14.263 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.361 4.679 -12.718 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.753 5.434 -11.969 1.00 0.00 H new ATOM 0 HG LEU A 8 -17.853 2.763 -13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -17.887 1.763 -11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.364 2.629 -11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.613 3.371 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.990 2.514 -12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -19.797 4.150 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -20.002 3.927 -13.274 1.00 0.00 H new ATOM 85 N PRO A 9 -18.300 7.749 -13.532 1.00 0.00 N ATOM 86 CA PRO A 9 -18.066 9.192 -13.425 1.00 0.00 C ATOM 87 C PRO A 9 -16.982 9.530 -12.406 1.00 0.00 C ATOM 88 O PRO A 9 -16.455 10.642 -12.392 1.00 0.00 O ATOM 89 CB PRO A 9 -19.420 9.738 -12.966 1.00 0.00 C ATOM 90 CG PRO A 9 -20.072 8.595 -12.268 1.00 0.00 C ATOM 91 CD PRO A 9 -19.607 7.355 -12.980 1.00 0.00 C ATOM 0 HA PRO A 9 -17.715 9.619 -14.365 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.297 10.591 -12.299 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -20.017 10.078 -13.812 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -19.791 8.569 -11.215 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -21.158 8.683 -12.306 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.517 6.510 -12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -20.302 7.058 -13.765 1.00 0.00 H new ATOM 99 N SER A 10 -16.654 8.563 -11.555 1.00 0.00 N ATOM 100 CA SER A 10 -15.636 8.759 -10.531 1.00 0.00 C ATOM 101 C SER A 10 -14.395 9.425 -11.119 1.00 0.00 C ATOM 102 O SER A 10 -14.257 9.539 -12.337 1.00 0.00 O ATOM 103 CB SER A 10 -15.257 7.420 -9.895 1.00 0.00 C ATOM 104 OG SER A 10 -16.347 6.870 -9.177 1.00 0.00 O ATOM 0 H SER A 10 -17.079 7.636 -11.555 1.00 0.00 H new ATOM 0 HA SER A 10 -16.049 9.413 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.939 6.723 -10.670 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.409 7.559 -9.224 1.00 0.00 H new ATOM 0 HG SER A 10 -16.080 6.014 -8.782 1.00 0.00 H new ATOM 110 N ASP A 11 -13.496 9.863 -10.244 1.00 0.00 N ATOM 111 CA ASP A 11 -12.266 10.516 -10.675 1.00 0.00 C ATOM 112 C ASP A 11 -11.054 9.631 -10.398 1.00 0.00 C ATOM 113 O ASP A 11 -10.799 9.250 -9.256 1.00 0.00 O ATOM 114 CB ASP A 11 -12.103 11.862 -9.966 1.00 0.00 C ATOM 115 CG ASP A 11 -11.332 12.866 -10.801 1.00 0.00 C ATOM 116 OD1 ASP A 11 -10.490 12.437 -11.616 1.00 0.00 O ATOM 117 OD2 ASP A 11 -11.571 14.081 -10.637 1.00 0.00 O ATOM 0 H ASP A 11 -13.596 9.778 -9.233 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.331 10.685 -11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.087 12.268 -9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.587 11.710 -9.018 1.00 0.00 H new ATOM 122 N VAL A 12 -10.311 9.308 -11.452 1.00 0.00 N ATOM 123 CA VAL A 12 -9.126 8.468 -11.322 1.00 0.00 C ATOM 124 C VAL A 12 -7.915 9.288 -10.893 1.00 0.00 C ATOM 125 O VAL A 12 -7.329 10.018 -11.693 1.00 0.00 O ATOM 126 CB VAL A 12 -8.802 7.747 -12.644 1.00 0.00 C ATOM 127 CG1 VAL A 12 -7.495 6.978 -12.527 1.00 0.00 C ATOM 128 CG2 VAL A 12 -9.942 6.820 -13.039 1.00 0.00 C ATOM 0 H VAL A 12 -10.508 9.615 -12.404 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.347 7.725 -10.556 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.686 8.496 -13.427 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.283 6.475 -13.471 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.685 7.670 -12.294 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.579 6.237 -11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.696 6.319 -13.975 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.093 6.075 -12.258 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.855 7.401 -13.168 1.00 0.00 H new ATOM 138 N THR A 13 -7.543 9.163 -9.622 1.00 0.00 N ATOM 139 CA THR A 13 -6.402 9.893 -9.085 1.00 0.00 C ATOM 140 C THR A 13 -5.397 8.946 -8.441 1.00 0.00 C ATOM 141 O THR A 13 -5.777 7.960 -7.809 1.00 0.00 O ATOM 142 CB THR A 13 -6.844 10.940 -8.045 1.00 0.00 C ATOM 143 OG1 THR A 13 -7.718 10.337 -7.084 1.00 0.00 O ATOM 144 CG2 THR A 13 -7.550 12.107 -8.718 1.00 0.00 C ATOM 0 H THR A 13 -8.016 8.563 -8.946 1.00 0.00 H new ATOM 0 HA THR A 13 -5.930 10.403 -9.925 1.00 0.00 H new ATOM 0 HB THR A 13 -5.954 11.317 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.993 11.009 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.853 12.833 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.872 12.582 -9.428 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.432 11.743 -9.246 1.00 0.00 H new ATOM 152 N GLU A 14 -4.114 9.251 -8.604 1.00 0.00 N ATOM 153 CA GLU A 14 -3.054 8.424 -8.037 1.00 0.00 C ATOM 154 C GLU A 14 -2.894 8.695 -6.544 1.00 0.00 C ATOM 155 O GLU A 14 -2.099 9.541 -6.137 1.00 0.00 O ATOM 156 CB GLU A 14 -1.731 8.686 -8.760 1.00 0.00 C ATOM 157 CG GLU A 14 -1.567 7.884 -10.039 1.00 0.00 C ATOM 158 CD GLU A 14 -1.265 6.421 -9.776 1.00 0.00 C ATOM 159 OE1 GLU A 14 -0.616 6.124 -8.751 1.00 0.00 O ATOM 160 OE2 GLU A 14 -1.678 5.574 -10.595 1.00 0.00 O ATOM 0 H GLU A 14 -3.783 10.064 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.331 7.378 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.660 9.748 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.906 8.453 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.478 7.962 -10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.762 8.316 -10.634 1.00 0.00 H new ATOM 167 N GLY A 15 -3.656 7.968 -5.732 1.00 0.00 N ATOM 168 CA GLY A 15 -3.584 8.144 -4.293 1.00 0.00 C ATOM 169 C GLY A 15 -3.723 6.835 -3.541 1.00 0.00 C ATOM 170 O GLY A 15 -4.476 6.745 -2.571 1.00 0.00 O ATOM 0 H GLY A 15 -4.321 7.261 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.633 8.609 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.370 8.828 -3.974 1.00 0.00 H new ATOM 174 N LYS A 16 -2.998 5.817 -3.990 1.00 0.00 N ATOM 175 CA LYS A 16 -3.043 4.506 -3.355 1.00 0.00 C ATOM 176 C LYS A 16 -1.666 4.106 -2.834 1.00 0.00 C ATOM 177 O LYS A 16 -0.716 3.963 -3.604 1.00 0.00 O ATOM 178 CB LYS A 16 -3.551 3.454 -4.343 1.00 0.00 C ATOM 179 CG LYS A 16 -4.600 3.982 -5.307 1.00 0.00 C ATOM 180 CD LYS A 16 -4.530 3.274 -6.650 1.00 0.00 C ATOM 181 CE LYS A 16 -5.285 4.041 -7.724 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.433 5.080 -8.366 1.00 0.00 N ATOM 0 H LYS A 16 -2.371 5.875 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.730 4.563 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.707 3.066 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.970 2.617 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.592 3.848 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.457 5.053 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.488 3.159 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.947 2.271 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.643 3.345 -8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.163 4.513 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.903 6.005 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.513 5.122 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.288 4.840 -9.367 1.00 0.00 H new ATOM 196 N THR A 17 -1.564 3.926 -1.521 1.00 0.00 N ATOM 197 CA THR A 17 -0.304 3.542 -0.897 1.00 0.00 C ATOM 198 C THR A 17 -0.529 2.526 0.217 1.00 0.00 C ATOM 199 O THR A 17 -1.595 2.489 0.832 1.00 0.00 O ATOM 200 CB THR A 17 0.432 4.765 -0.320 1.00 0.00 C ATOM 201 OG1 THR A 17 0.827 5.644 -1.379 1.00 0.00 O ATOM 202 CG2 THR A 17 1.658 4.335 0.472 1.00 0.00 C ATOM 0 H THR A 17 -2.340 4.040 -0.869 1.00 0.00 H new ATOM 0 HA THR A 17 0.311 3.092 -1.677 1.00 0.00 H new ATOM 0 HB THR A 17 -0.250 5.288 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.293 6.420 -1.003 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.162 5.216 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.351 3.690 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.340 3.791 -0.181 1.00 0.00 H new ATOM 210 N VAL A 18 0.483 1.702 0.473 1.00 0.00 N ATOM 211 CA VAL A 18 0.396 0.686 1.516 1.00 0.00 C ATOM 212 C VAL A 18 1.761 0.424 2.142 1.00 0.00 C ATOM 213 O VAL A 18 2.696 -0.002 1.464 1.00 0.00 O ATOM 214 CB VAL A 18 -0.167 -0.637 0.964 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.459 -0.391 0.201 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.862 -1.325 0.079 1.00 0.00 C ATOM 0 H VAL A 18 1.372 1.718 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.282 1.070 2.278 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.389 -1.296 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.842 -1.337 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.196 0.055 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.267 0.286 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.448 -2.258 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.118 -0.673 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.759 -1.537 0.661 1.00 0.00 H new ATOM 226 N PHE A 19 1.868 0.681 3.442 1.00 0.00 N ATOM 227 CA PHE A 19 3.120 0.473 4.161 1.00 0.00 C ATOM 228 C PHE A 19 3.003 -0.703 5.126 1.00 0.00 C ATOM 229 O PHE A 19 2.101 -0.745 5.964 1.00 0.00 O ATOM 230 CB PHE A 19 3.509 1.739 4.927 1.00 0.00 C ATOM 231 CG PHE A 19 4.719 1.564 5.798 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.936 1.189 5.251 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.641 1.774 7.166 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.052 1.028 6.050 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.754 1.615 7.970 1.00 0.00 C ATOM 236 CZ PHE A 19 6.960 1.240 7.411 1.00 0.00 C ATOM 0 H PHE A 19 1.104 1.033 4.018 1.00 0.00 H new ATOM 0 HA PHE A 19 3.897 0.246 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.697 2.542 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.668 2.053 5.546 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.013 1.021 4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.700 2.065 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.995 0.737 5.610 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.681 1.784 9.034 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.830 1.113 8.038 1.00 0.00 H new ATOM 246 N ILE A 20 3.921 -1.656 5.002 1.00 0.00 N ATOM 247 CA ILE A 20 3.922 -2.832 5.863 1.00 0.00 C ATOM 248 C ILE A 20 4.946 -2.692 6.984 1.00 0.00 C ATOM 249 O ILE A 20 6.069 -2.240 6.760 1.00 0.00 O ATOM 250 CB ILE A 20 4.223 -4.114 5.065 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.389 -4.150 3.783 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.949 -5.345 5.916 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.043 -3.443 2.617 1.00 0.00 C ATOM 0 H ILE A 20 4.673 -1.636 4.314 1.00 0.00 H new ATOM 0 HA ILE A 20 2.924 -2.908 6.294 1.00 0.00 H new ATOM 0 HB ILE A 20 5.278 -4.114 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.203 -5.189 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.419 -3.692 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.167 -6.243 5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.582 -5.322 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.902 -5.353 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.396 -3.509 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.205 -2.395 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.000 -3.915 2.396 1.00 0.00 H new ATOM 265 N ARG A 21 4.551 -3.084 8.191 1.00 0.00 N ATOM 266 CA ARG A 21 5.435 -3.003 9.348 1.00 0.00 C ATOM 267 C ARG A 21 5.585 -4.367 10.015 1.00 0.00 C ATOM 268 O ARG A 21 4.867 -5.311 9.688 1.00 0.00 O ATOM 269 CB ARG A 21 4.898 -1.986 10.357 1.00 0.00 C ATOM 270 CG ARG A 21 5.413 -0.574 10.133 1.00 0.00 C ATOM 271 CD ARG A 21 5.196 0.299 11.358 1.00 0.00 C ATOM 272 NE ARG A 21 6.006 1.514 11.316 1.00 0.00 N ATOM 273 CZ ARG A 21 5.750 2.594 12.046 1.00 0.00 C ATOM 274 NH1 ARG A 21 4.711 2.611 12.870 1.00 0.00 N ATOM 275 NH2 ARG A 21 6.534 3.660 11.952 1.00 0.00 N ATOM 0 H ARG A 21 3.625 -3.461 8.393 1.00 0.00 H new ATOM 0 HA ARG A 21 6.416 -2.678 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.809 -1.978 10.308 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.169 -2.307 11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.476 -0.607 9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.905 -0.132 9.276 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.142 0.568 11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.441 -0.269 12.256 1.00 0.00 H new ATOM 0 HE ARG A 21 6.812 1.534 10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.106 1.793 12.945 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.517 3.442 13.429 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.334 3.651 11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.337 4.489 12.513 1.00 0.00 H new ATOM 289 N ASN A 22 6.524 -4.463 10.950 1.00 0.00 N ATOM 290 CA ASN A 22 6.769 -5.712 11.662 1.00 0.00 C ATOM 291 C ASN A 22 7.040 -6.851 10.684 1.00 0.00 C ATOM 292 O ASN A 22 6.536 -7.962 10.853 1.00 0.00 O ATOM 293 CB ASN A 22 5.573 -6.060 12.550 1.00 0.00 C ATOM 294 CG ASN A 22 5.913 -7.104 13.596 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.823 -6.916 14.403 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.182 -8.212 13.585 1.00 0.00 N ATOM 0 H ASN A 22 7.128 -3.691 11.232 1.00 0.00 H new ATOM 0 HA ASN A 22 7.651 -5.578 12.289 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.217 -5.157 13.045 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.756 -6.426 11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.365 -8.951 14.264 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.437 -8.325 12.897 1.00 0.00 H new ATOM 303 N LEU A 23 7.840 -6.568 9.662 1.00 0.00 N ATOM 304 CA LEU A 23 8.180 -7.569 8.657 1.00 0.00 C ATOM 305 C LEU A 23 9.233 -8.537 9.186 1.00 0.00 C ATOM 306 O LEU A 23 10.001 -8.202 10.088 1.00 0.00 O ATOM 307 CB LEU A 23 8.688 -6.890 7.384 1.00 0.00 C ATOM 308 CG LEU A 23 7.627 -6.218 6.512 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.281 -5.370 5.432 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.709 -7.260 5.890 1.00 0.00 C ATOM 0 H LEU A 23 8.265 -5.654 9.507 1.00 0.00 H new ATOM 0 HA LEU A 23 7.278 -8.135 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.426 -6.139 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.206 -7.635 6.781 1.00 0.00 H new ATOM 0 HG LEU A 23 7.027 -5.564 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.510 -4.900 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.896 -4.599 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.907 -6.002 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.960 -6.763 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.296 -7.940 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.212 -7.825 6.679 1.00 0.00 H new ATOM 322 N SER A 24 9.265 -9.737 8.616 1.00 0.00 N ATOM 323 CA SER A 24 10.224 -10.755 9.032 1.00 0.00 C ATOM 324 C SER A 24 11.424 -10.787 8.090 1.00 0.00 C ATOM 325 O SER A 24 11.269 -10.795 6.869 1.00 0.00 O ATOM 326 CB SER A 24 9.555 -12.130 9.071 1.00 0.00 C ATOM 327 OG SER A 24 9.138 -12.532 7.778 1.00 0.00 O ATOM 0 H SER A 24 8.639 -10.029 7.865 1.00 0.00 H new ATOM 0 HA SER A 24 10.575 -10.502 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.250 -12.865 9.477 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.696 -12.101 9.741 1.00 0.00 H new ATOM 0 HG SER A 24 9.169 -13.509 7.713 1.00 0.00 H new ATOM 333 N PHE A 25 12.621 -10.806 8.668 1.00 0.00 N ATOM 334 CA PHE A 25 13.848 -10.836 7.881 1.00 0.00 C ATOM 335 C PHE A 25 13.743 -11.852 6.747 1.00 0.00 C ATOM 336 O PHE A 25 14.328 -11.669 5.680 1.00 0.00 O ATOM 337 CB PHE A 25 15.043 -11.175 8.775 1.00 0.00 C ATOM 338 CG PHE A 25 15.247 -10.200 9.899 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.454 -8.855 9.638 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.229 -10.627 11.217 1.00 0.00 C ATOM 341 CE1 PHE A 25 15.643 -7.956 10.670 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.417 -9.733 12.253 1.00 0.00 C ATOM 343 CZ PHE A 25 15.622 -8.395 11.980 1.00 0.00 C ATOM 0 H PHE A 25 12.767 -10.801 9.677 1.00 0.00 H new ATOM 0 HA PHE A 25 13.996 -9.847 7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.904 -12.173 9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.945 -11.207 8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.468 -8.505 8.616 1.00 0.00 H new ATOM 0 HD2 PHE A 25 15.066 -11.672 11.437 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.807 -6.911 10.453 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.404 -10.080 13.276 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.766 -7.693 12.788 1.00 0.00 H new ATOM 353 N ASP A 26 12.993 -12.922 6.988 1.00 0.00 N ATOM 354 CA ASP A 26 12.810 -13.967 5.987 1.00 0.00 C ATOM 355 C ASP A 26 11.999 -13.450 4.803 1.00 0.00 C ATOM 356 O ASP A 26 12.269 -13.798 3.654 1.00 0.00 O ATOM 357 CB ASP A 26 12.114 -15.180 6.608 1.00 0.00 C ATOM 358 CG ASP A 26 11.951 -16.321 5.623 1.00 0.00 C ATOM 359 OD1 ASP A 26 12.934 -17.059 5.402 1.00 0.00 O ATOM 360 OD2 ASP A 26 10.841 -16.476 5.073 1.00 0.00 O ATOM 0 H ASP A 26 12.502 -13.088 7.867 1.00 0.00 H new ATOM 0 HA ASP A 26 13.794 -14.267 5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.689 -15.525 7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.134 -14.882 6.980 1.00 0.00 H new ATOM 365 N SER A 27 11.004 -12.618 5.092 1.00 0.00 N ATOM 366 CA SER A 27 10.150 -12.057 4.052 1.00 0.00 C ATOM 367 C SER A 27 10.985 -11.547 2.881 1.00 0.00 C ATOM 368 O SER A 27 12.192 -11.345 3.007 1.00 0.00 O ATOM 369 CB SER A 27 9.299 -10.919 4.619 1.00 0.00 C ATOM 370 OG SER A 27 8.369 -10.450 3.659 1.00 0.00 O ATOM 0 H SER A 27 10.769 -12.317 6.038 1.00 0.00 H new ATOM 0 HA SER A 27 9.492 -12.848 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.768 -11.265 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.945 -10.100 4.934 1.00 0.00 H new ATOM 0 HG SER A 27 7.836 -9.724 4.047 1.00 0.00 H new ATOM 376 N GLU A 28 10.331 -11.342 1.741 1.00 0.00 N ATOM 377 CA GLU A 28 11.013 -10.857 0.547 1.00 0.00 C ATOM 378 C GLU A 28 10.087 -9.978 -0.288 1.00 0.00 C ATOM 379 O GLU A 28 8.873 -9.970 -0.087 1.00 0.00 O ATOM 380 CB GLU A 28 11.514 -12.033 -0.294 1.00 0.00 C ATOM 381 CG GLU A 28 12.404 -12.996 0.474 1.00 0.00 C ATOM 382 CD GLU A 28 13.225 -13.886 -0.439 1.00 0.00 C ATOM 383 OE1 GLU A 28 14.128 -13.362 -1.124 1.00 0.00 O ATOM 384 OE2 GLU A 28 12.964 -15.107 -0.468 1.00 0.00 O ATOM 0 H GLU A 28 9.331 -11.504 1.620 1.00 0.00 H new ATOM 0 HA GLU A 28 11.866 -10.258 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.656 -12.579 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.066 -11.647 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.074 -12.429 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.786 -13.618 1.122 1.00 0.00 H new ATOM 391 N GLU A 29 10.671 -9.238 -1.226 1.00 0.00 N ATOM 392 CA GLU A 29 9.898 -8.354 -2.091 1.00 0.00 C ATOM 393 C GLU A 29 8.903 -9.148 -2.932 1.00 0.00 C ATOM 394 O GLU A 29 7.794 -8.687 -3.198 1.00 0.00 O ATOM 395 CB GLU A 29 10.831 -7.555 -3.005 1.00 0.00 C ATOM 396 CG GLU A 29 10.248 -6.227 -3.458 1.00 0.00 C ATOM 397 CD GLU A 29 11.205 -5.438 -4.331 1.00 0.00 C ATOM 398 OE1 GLU A 29 12.281 -5.050 -3.831 1.00 0.00 O ATOM 399 OE2 GLU A 29 10.876 -5.209 -5.513 1.00 0.00 O ATOM 0 H GLU A 29 11.675 -9.233 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 29 9.342 -7.664 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.769 -7.371 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.069 -8.156 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.325 -6.408 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.985 -5.632 -2.583 1.00 0.00 H new ATOM 406 N GLU A 30 9.308 -10.345 -3.346 1.00 0.00 N ATOM 407 CA GLU A 30 8.453 -11.202 -4.157 1.00 0.00 C ATOM 408 C GLU A 30 7.285 -11.740 -3.334 1.00 0.00 C ATOM 409 O GLU A 30 6.122 -11.546 -3.687 1.00 0.00 O ATOM 410 CB GLU A 30 9.261 -12.365 -4.736 1.00 0.00 C ATOM 411 CG GLU A 30 8.401 -13.517 -5.231 1.00 0.00 C ATOM 412 CD GLU A 30 9.082 -14.329 -6.315 1.00 0.00 C ATOM 413 OE1 GLU A 30 9.058 -13.896 -7.486 1.00 0.00 O ATOM 414 OE2 GLU A 30 9.640 -15.399 -5.992 1.00 0.00 O ATOM 0 H GLU A 30 10.223 -10.742 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 30 8.054 -10.603 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.871 -11.997 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.946 -12.736 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.157 -14.169 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.459 -13.124 -5.614 1.00 0.00 H new ATOM 421 N ALA A 31 7.604 -12.417 -2.236 1.00 0.00 N ATOM 422 CA ALA A 31 6.583 -12.981 -1.363 1.00 0.00 C ATOM 423 C ALA A 31 5.682 -11.890 -0.795 1.00 0.00 C ATOM 424 O ALA A 31 4.458 -11.956 -0.917 1.00 0.00 O ATOM 425 CB ALA A 31 7.231 -13.772 -0.236 1.00 0.00 C ATOM 0 H ALA A 31 8.562 -12.588 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 31 5.964 -13.654 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.457 -14.188 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.827 -14.582 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.874 -13.113 0.348 1.00 0.00 H new ATOM 431 N LEU A 32 6.294 -10.887 -0.175 1.00 0.00 N ATOM 432 CA LEU A 32 5.546 -9.781 0.413 1.00 0.00 C ATOM 433 C LEU A 32 4.428 -9.324 -0.519 1.00 0.00 C ATOM 434 O LEU A 32 3.264 -9.261 -0.125 1.00 0.00 O ATOM 435 CB LEU A 32 6.483 -8.611 0.717 1.00 0.00 C ATOM 436 CG LEU A 32 5.839 -7.388 1.371 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.901 -6.376 1.772 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.824 -6.754 0.431 1.00 0.00 C ATOM 0 H LEU A 32 7.306 -10.817 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 32 5.098 -10.131 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.280 -8.969 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.952 -8.295 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 32 5.318 -7.713 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.424 -5.512 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.591 -6.834 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.451 -6.055 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.375 -5.885 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.323 -6.443 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.046 -7.479 0.193 1.00 0.00 H new ATOM 450 N GLY A 33 4.790 -9.006 -1.758 1.00 0.00 N ATOM 451 CA GLY A 33 3.807 -8.561 -2.728 1.00 0.00 C ATOM 452 C GLY A 33 2.748 -9.610 -3.004 1.00 0.00 C ATOM 453 O GLY A 33 1.554 -9.343 -2.879 1.00 0.00 O ATOM 0 H GLY A 33 5.747 -9.049 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.328 -7.652 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.311 -8.304 -3.660 1.00 0.00 H new ATOM 457 N GLU A 34 3.187 -10.807 -3.382 1.00 0.00 N ATOM 458 CA GLU A 34 2.268 -11.898 -3.679 1.00 0.00 C ATOM 459 C GLU A 34 1.194 -12.013 -2.601 1.00 0.00 C ATOM 460 O GLU A 34 0.123 -12.575 -2.833 1.00 0.00 O ATOM 461 CB GLU A 34 3.031 -13.219 -3.797 1.00 0.00 C ATOM 462 CG GLU A 34 3.656 -13.441 -5.164 1.00 0.00 C ATOM 463 CD GLU A 34 2.632 -13.809 -6.221 1.00 0.00 C ATOM 464 OE1 GLU A 34 2.079 -12.887 -6.856 1.00 0.00 O ATOM 465 OE2 GLU A 34 2.384 -15.018 -6.412 1.00 0.00 O ATOM 0 H GLU A 34 4.173 -11.045 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 34 1.782 -11.681 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.815 -13.245 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.351 -14.042 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.180 -12.536 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.401 -14.233 -5.094 1.00 0.00 H new ATOM 472 N VAL A 35 1.488 -11.478 -1.421 1.00 0.00 N ATOM 473 CA VAL A 35 0.549 -11.519 -0.306 1.00 0.00 C ATOM 474 C VAL A 35 -0.528 -10.451 -0.456 1.00 0.00 C ATOM 475 O VAL A 35 -1.712 -10.712 -0.236 1.00 0.00 O ATOM 476 CB VAL A 35 1.268 -11.322 1.042 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.269 -11.348 2.188 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.340 -12.384 1.233 1.00 0.00 C ATOM 0 H VAL A 35 2.370 -11.010 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 35 0.084 -12.505 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 35 1.753 -10.346 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.795 -11.207 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.458 -10.547 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.247 -12.308 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.838 -12.230 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.880 -13.372 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.071 -12.312 0.428 1.00 0.00 H new ATOM 488 N LEU A 36 -0.112 -9.247 -0.831 1.00 0.00 N ATOM 489 CA LEU A 36 -1.041 -8.137 -1.011 1.00 0.00 C ATOM 490 C LEU A 36 -1.813 -8.280 -2.319 1.00 0.00 C ATOM 491 O LEU A 36 -2.999 -7.959 -2.389 1.00 0.00 O ATOM 492 CB LEU A 36 -0.287 -6.806 -0.993 1.00 0.00 C ATOM 493 CG LEU A 36 0.685 -6.602 0.169 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.473 -5.314 -0.014 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.063 -6.587 1.494 1.00 0.00 C ATOM 0 H LEU A 36 0.864 -9.014 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.753 -8.154 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.269 -6.713 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.018 -5.997 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 36 1.387 -7.436 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.160 -5.186 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.039 -5.363 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.785 -4.469 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.645 -6.441 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.789 -5.774 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.582 -7.536 1.630 1.00 0.00 H new ATOM 507 N GLN A 37 -1.131 -8.764 -3.352 1.00 0.00 N ATOM 508 CA GLN A 37 -1.753 -8.950 -4.658 1.00 0.00 C ATOM 509 C GLN A 37 -3.112 -9.630 -4.521 1.00 0.00 C ATOM 510 O GLN A 37 -4.076 -9.247 -5.183 1.00 0.00 O ATOM 511 CB GLN A 37 -0.844 -9.780 -5.566 1.00 0.00 C ATOM 512 CG GLN A 37 0.388 -9.029 -6.043 1.00 0.00 C ATOM 513 CD GLN A 37 1.055 -9.696 -7.230 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.428 -9.914 -8.267 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.333 -10.024 -7.084 1.00 0.00 N ATOM 0 H GLN A 37 -0.148 -9.034 -3.310 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.902 -7.967 -5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.529 -10.675 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.415 -10.112 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.106 -8.011 -6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.103 -8.954 -5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.814 -9.825 -6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.834 -10.475 -7.849 1.00 0.00 H new ATOM 524 N GLN A 38 -3.179 -10.639 -3.659 1.00 0.00 N ATOM 525 CA GLN A 38 -4.420 -11.372 -3.437 1.00 0.00 C ATOM 526 C GLN A 38 -5.620 -10.431 -3.465 1.00 0.00 C ATOM 527 O GLN A 38 -6.676 -10.771 -4.000 1.00 0.00 O ATOM 528 CB GLN A 38 -4.368 -12.112 -2.100 1.00 0.00 C ATOM 529 CG GLN A 38 -4.592 -11.210 -0.897 1.00 0.00 C ATOM 530 CD GLN A 38 -4.588 -11.973 0.413 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.487 -11.816 1.240 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.573 -12.806 0.610 1.00 0.00 N ATOM 0 H GLN A 38 -2.389 -10.968 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.532 -12.099 -4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.123 -12.898 -2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.399 -12.601 -2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.815 -10.446 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.544 -10.692 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.849 -12.906 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.517 -13.346 1.473 1.00 0.00 H new ATOM 541 N PHE A 39 -5.452 -9.248 -2.885 1.00 0.00 N ATOM 542 CA PHE A 39 -6.522 -8.258 -2.842 1.00 0.00 C ATOM 543 C PHE A 39 -6.622 -7.508 -4.167 1.00 0.00 C ATOM 544 O PHE A 39 -7.708 -7.357 -4.726 1.00 0.00 O ATOM 545 CB PHE A 39 -6.284 -7.269 -1.699 1.00 0.00 C ATOM 546 CG PHE A 39 -6.187 -7.923 -0.350 1.00 0.00 C ATOM 547 CD1 PHE A 39 -4.965 -8.360 0.135 1.00 0.00 C ATOM 548 CD2 PHE A 39 -7.316 -8.099 0.432 1.00 0.00 C ATOM 549 CE1 PHE A 39 -4.873 -8.963 1.375 1.00 0.00 C ATOM 550 CE2 PHE A 39 -7.230 -8.700 1.674 1.00 0.00 C ATOM 551 CZ PHE A 39 -6.006 -9.132 2.146 1.00 0.00 C ATOM 0 H PHE A 39 -4.585 -8.951 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.462 -8.782 -2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.365 -6.717 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.096 -6.542 -1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.075 -8.228 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.275 -7.763 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.915 -9.302 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.118 -8.831 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.935 -9.601 3.116 1.00 0.00 H new ATOM 561 N GLY A 40 -5.481 -7.039 -4.662 1.00 0.00 N ATOM 562 CA GLY A 40 -5.462 -6.309 -5.917 1.00 0.00 C ATOM 563 C GLY A 40 -4.066 -6.188 -6.495 1.00 0.00 C ATOM 564 O GLY A 40 -3.079 -6.192 -5.759 1.00 0.00 O ATOM 0 H GLY A 40 -4.570 -7.151 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.108 -6.812 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.875 -5.312 -5.761 1.00 0.00 H new ATOM 568 N ASP A 41 -3.983 -6.081 -7.817 1.00 0.00 N ATOM 569 CA ASP A 41 -2.697 -5.959 -8.494 1.00 0.00 C ATOM 570 C ASP A 41 -1.836 -4.885 -7.837 1.00 0.00 C ATOM 571 O ASP A 41 -2.284 -3.756 -7.631 1.00 0.00 O ATOM 572 CB ASP A 41 -2.905 -5.629 -9.973 1.00 0.00 C ATOM 573 CG ASP A 41 -3.300 -6.845 -10.788 1.00 0.00 C ATOM 574 OD1 ASP A 41 -2.640 -7.895 -10.644 1.00 0.00 O ATOM 575 OD2 ASP A 41 -4.269 -6.747 -11.571 1.00 0.00 O ATOM 0 H ASP A 41 -4.790 -6.076 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.179 -6.915 -8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.678 -4.866 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.987 -5.205 -10.380 1.00 0.00 H new ATOM 580 N LEU A 42 -0.600 -5.244 -7.509 1.00 0.00 N ATOM 581 CA LEU A 42 0.324 -4.311 -6.873 1.00 0.00 C ATOM 582 C LEU A 42 1.127 -3.543 -7.918 1.00 0.00 C ATOM 583 O LEU A 42 1.928 -4.122 -8.651 1.00 0.00 O ATOM 584 CB LEU A 42 1.272 -5.061 -5.935 1.00 0.00 C ATOM 585 CG LEU A 42 0.694 -5.461 -4.577 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.444 -6.657 -4.010 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.747 -4.288 -3.609 1.00 0.00 C ATOM 0 H LEU A 42 -0.214 -6.174 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.261 -3.597 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.614 -5.963 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.150 -4.438 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.349 -5.745 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.019 -6.928 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.355 -7.500 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.496 -6.401 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.332 -4.590 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.782 -3.974 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.165 -3.458 -4.011 1.00 0.00 H new ATOM 599 N LYS A 43 0.908 -2.234 -7.980 1.00 0.00 N ATOM 600 CA LYS A 43 1.612 -1.383 -8.932 1.00 0.00 C ATOM 601 C LYS A 43 3.123 -1.535 -8.782 1.00 0.00 C ATOM 602 O LYS A 43 3.851 -1.597 -9.773 1.00 0.00 O ATOM 603 CB LYS A 43 1.214 0.081 -8.732 1.00 0.00 C ATOM 604 CG LYS A 43 2.018 1.051 -9.580 1.00 0.00 C ATOM 605 CD LYS A 43 1.388 1.251 -10.948 1.00 0.00 C ATOM 606 CE LYS A 43 1.680 2.638 -11.499 1.00 0.00 C ATOM 607 NZ LYS A 43 3.076 2.752 -12.003 1.00 0.00 N ATOM 0 H LYS A 43 0.247 -1.739 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 43 1.330 -1.695 -9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.156 0.197 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.337 0.342 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.090 2.010 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.035 0.676 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.767 0.497 -11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.310 1.106 -10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.983 2.862 -12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.514 3.381 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.235 3.712 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.742 2.563 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.228 2.061 -12.765 1.00 0.00 H new ATOM 621 N TYR A 44 3.586 -1.595 -7.539 1.00 0.00 N ATOM 622 CA TYR A 44 5.010 -1.738 -7.261 1.00 0.00 C ATOM 623 C TYR A 44 5.242 -2.168 -5.815 1.00 0.00 C ATOM 624 O TYR A 44 4.491 -1.793 -4.915 1.00 0.00 O ATOM 625 CB TYR A 44 5.741 -0.423 -7.536 1.00 0.00 C ATOM 626 CG TYR A 44 5.846 0.476 -6.325 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.729 0.183 -5.293 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.064 1.619 -6.213 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.829 1.001 -4.184 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.158 2.443 -5.109 1.00 0.00 C ATOM 631 CZ TYR A 44 6.041 2.130 -4.097 1.00 0.00 C ATOM 632 OH TYR A 44 6.137 2.948 -2.995 1.00 0.00 O ATOM 0 H TYR A 44 2.996 -1.547 -6.708 1.00 0.00 H new ATOM 0 HA TYR A 44 5.406 -2.510 -7.920 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.744 -0.644 -7.902 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.222 0.112 -8.331 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.348 -0.700 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.371 1.867 -7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.520 0.758 -3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.543 3.328 -5.038 1.00 0.00 H new ATOM 0 HH TYR A 44 5.516 3.700 -3.090 1.00 0.00 H new ATOM 642 N VAL A 45 6.289 -2.959 -5.600 1.00 0.00 N ATOM 643 CA VAL A 45 6.623 -3.439 -4.265 1.00 0.00 C ATOM 644 C VAL A 45 8.107 -3.253 -3.969 1.00 0.00 C ATOM 645 O VAL A 45 8.958 -3.905 -4.573 1.00 0.00 O ATOM 646 CB VAL A 45 6.260 -4.927 -4.097 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.774 -5.738 -5.277 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.815 -5.466 -2.787 1.00 0.00 C ATOM 0 H VAL A 45 6.920 -3.281 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 45 6.038 -2.848 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 45 5.174 -5.018 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.508 -6.786 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.324 -5.366 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.858 -5.643 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.549 -6.518 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.900 -5.364 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.394 -4.903 -1.954 1.00 0.00 H new ATOM 658 N ARG A 46 8.410 -2.358 -3.034 1.00 0.00 N ATOM 659 CA ARG A 46 9.792 -2.085 -2.657 1.00 0.00 C ATOM 660 C ARG A 46 9.984 -2.235 -1.151 1.00 0.00 C ATOM 661 O ARG A 46 9.202 -1.709 -0.359 1.00 0.00 O ATOM 662 CB ARG A 46 10.193 -0.675 -3.096 1.00 0.00 C ATOM 663 CG ARG A 46 11.670 -0.537 -3.424 1.00 0.00 C ATOM 664 CD ARG A 46 12.034 0.901 -3.760 1.00 0.00 C ATOM 665 NE ARG A 46 13.455 1.050 -4.061 1.00 0.00 N ATOM 666 CZ ARG A 46 14.011 2.196 -4.438 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.268 3.288 -4.559 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.311 2.252 -4.694 1.00 0.00 N ATOM 0 H ARG A 46 7.717 -1.810 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 46 10.431 -2.810 -3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.607 -0.396 -3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.938 0.029 -2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.265 -0.876 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.919 -1.183 -4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.446 1.233 -4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.771 1.547 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 46 14.054 0.229 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.268 3.249 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.697 4.167 -4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.886 1.414 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.736 3.133 -4.983 1.00 0.00 H new ATOM 682 N VAL A 47 11.031 -2.957 -0.762 1.00 0.00 N ATOM 683 CA VAL A 47 11.327 -3.176 0.648 1.00 0.00 C ATOM 684 C VAL A 47 12.678 -2.578 1.025 1.00 0.00 C ATOM 685 O VAL A 47 13.726 -3.073 0.611 1.00 0.00 O ATOM 686 CB VAL A 47 11.327 -4.676 0.995 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.326 -5.425 0.126 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.634 -4.881 2.471 1.00 0.00 C ATOM 0 H VAL A 47 11.688 -3.400 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 47 10.541 -2.679 1.217 1.00 0.00 H new ATOM 0 HB VAL A 47 10.334 -5.078 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.312 -6.484 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 47 12.057 -5.305 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.326 -5.024 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.630 -5.947 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.615 -4.465 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.877 -4.378 3.073 1.00 0.00 H new ATOM 698 N VAL A 48 12.646 -1.509 1.815 1.00 0.00 N ATOM 699 CA VAL A 48 13.868 -0.843 2.251 1.00 0.00 C ATOM 700 C VAL A 48 14.764 -1.797 3.033 1.00 0.00 C ATOM 701 O VAL A 48 14.320 -2.449 3.979 1.00 0.00 O ATOM 702 CB VAL A 48 13.556 0.385 3.126 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.686 -0.009 4.310 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.844 1.044 3.597 1.00 0.00 C ATOM 0 H VAL A 48 11.787 -1.086 2.166 1.00 0.00 H new ATOM 0 HA VAL A 48 14.389 -0.515 1.351 1.00 0.00 H new ATOM 0 HB VAL A 48 13.004 1.107 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.476 0.872 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.749 -0.432 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.209 -0.750 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.605 1.910 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.425 0.331 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.426 1.364 2.733 1.00 0.00 H new ATOM 714 N LEU A 49 16.029 -1.873 2.633 1.00 0.00 N ATOM 715 CA LEU A 49 16.990 -2.747 3.296 1.00 0.00 C ATOM 716 C LEU A 49 18.113 -1.936 3.935 1.00 0.00 C ATOM 717 O LEU A 49 18.306 -0.763 3.613 1.00 0.00 O ATOM 718 CB LEU A 49 17.572 -3.749 2.298 1.00 0.00 C ATOM 719 CG LEU A 49 16.563 -4.646 1.581 1.00 0.00 C ATOM 720 CD1 LEU A 49 17.111 -5.097 0.236 1.00 0.00 C ATOM 721 CD2 LEU A 49 16.209 -5.848 2.445 1.00 0.00 C ATOM 0 H LEU A 49 16.413 -1.340 1.853 1.00 0.00 H new ATOM 0 HA LEU A 49 16.467 -3.291 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.135 -3.197 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.283 -4.385 2.825 1.00 0.00 H new ATOM 0 HG LEU A 49 15.654 -4.070 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.379 -5.735 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.313 -4.225 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 49 18.035 -5.655 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.490 -6.475 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 49 17.110 -6.425 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.773 -5.506 3.384 1.00 0.00 H new ATOM 733 N HIS A 50 18.853 -2.569 4.839 1.00 0.00 N ATOM 734 CA HIS A 50 19.960 -1.907 5.520 1.00 0.00 C ATOM 735 C HIS A 50 21.113 -1.644 4.556 1.00 0.00 C ATOM 736 O HIS A 50 21.432 -2.464 3.694 1.00 0.00 O ATOM 737 CB HIS A 50 20.446 -2.758 6.694 1.00 0.00 C ATOM 738 CG HIS A 50 20.987 -1.951 7.834 1.00 0.00 C ATOM 739 ND1 HIS A 50 22.317 -1.606 7.948 1.00 0.00 N ATOM 740 CD2 HIS A 50 20.369 -1.420 8.915 1.00 0.00 C ATOM 741 CE1 HIS A 50 22.494 -0.899 9.049 1.00 0.00 C ATOM 742 NE2 HIS A 50 21.327 -0.771 9.654 1.00 0.00 N ATOM 0 H HIS A 50 18.706 -3.539 5.117 1.00 0.00 H new ATOM 0 HA HIS A 50 19.601 -0.950 5.898 1.00 0.00 H new ATOM 0 HB2 HIS A 50 19.620 -3.372 7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 50 21.220 -3.440 6.342 1.00 0.00 H new ATOM 0 HD2 HIS A 50 19.318 -1.493 9.152 1.00 0.00 H new ATOM 0 HE1 HIS A 50 23.433 -0.494 9.396 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.164 -0.271 10.528 1.00 0.00 H new ATOM 751 N PRO A 51 21.752 -0.474 4.702 1.00 0.00 N ATOM 752 CA PRO A 51 22.879 -0.077 3.852 1.00 0.00 C ATOM 753 C PRO A 51 24.129 -0.906 4.123 1.00 0.00 C ATOM 754 O PRO A 51 24.821 -1.324 3.194 1.00 0.00 O ATOM 755 CB PRO A 51 23.113 1.386 4.237 1.00 0.00 C ATOM 756 CG PRO A 51 22.585 1.503 5.625 1.00 0.00 C ATOM 757 CD PRO A 51 21.425 0.550 5.708 1.00 0.00 C ATOM 0 HA PRO A 51 22.665 -0.225 2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.172 1.642 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 51 22.593 2.062 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.352 1.249 6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 51 22.267 2.524 5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 51 21.330 0.118 6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 51 20.481 1.046 5.484 1.00 0.00 H new ATOM 765 N ASP A 52 24.413 -1.141 5.399 1.00 0.00 N ATOM 766 CA ASP A 52 25.581 -1.922 5.791 1.00 0.00 C ATOM 767 C ASP A 52 25.455 -3.365 5.313 1.00 0.00 C ATOM 768 O ASP A 52 26.350 -3.892 4.652 1.00 0.00 O ATOM 769 CB ASP A 52 25.756 -1.889 7.311 1.00 0.00 C ATOM 770 CG ASP A 52 26.121 -0.509 7.821 1.00 0.00 C ATOM 771 OD1 ASP A 52 27.324 -0.173 7.813 1.00 0.00 O ATOM 772 OD2 ASP A 52 25.204 0.235 8.230 1.00 0.00 O ATOM 0 H ASP A 52 23.851 -0.802 6.180 1.00 0.00 H new ATOM 0 HA ASP A 52 26.459 -1.478 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 52 24.832 -2.217 7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 52 26.532 -2.597 7.600 1.00 0.00 H new ATOM 777 N THR A 53 24.337 -4.001 5.652 1.00 0.00 N ATOM 778 CA THR A 53 24.095 -5.383 5.259 1.00 0.00 C ATOM 779 C THR A 53 22.719 -5.540 4.622 1.00 0.00 C ATOM 780 O THR A 53 21.909 -4.615 4.638 1.00 0.00 O ATOM 781 CB THR A 53 24.202 -6.336 6.464 1.00 0.00 C ATOM 782 OG1 THR A 53 24.191 -7.696 6.016 1.00 0.00 O ATOM 783 CG2 THR A 53 23.056 -6.109 7.438 1.00 0.00 C ATOM 0 H THR A 53 23.585 -3.580 6.198 1.00 0.00 H new ATOM 0 HA THR A 53 24.862 -5.644 4.530 1.00 0.00 H new ATOM 0 HB THR A 53 25.141 -6.131 6.978 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.261 -8.295 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 53 23.154 -6.794 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.085 -5.081 7.800 1.00 0.00 H new ATOM 0 HG23 THR A 53 22.107 -6.289 6.932 1.00 0.00 H new ATOM 791 N GLU A 54 22.462 -6.718 4.062 1.00 0.00 N ATOM 792 CA GLU A 54 21.183 -6.996 3.420 1.00 0.00 C ATOM 793 C GLU A 54 20.140 -7.426 4.447 1.00 0.00 C ATOM 794 O GLU A 54 19.553 -8.503 4.338 1.00 0.00 O ATOM 795 CB GLU A 54 21.347 -8.084 2.356 1.00 0.00 C ATOM 796 CG GLU A 54 21.722 -7.544 0.986 1.00 0.00 C ATOM 797 CD GLU A 54 22.119 -8.641 0.017 1.00 0.00 C ATOM 798 OE1 GLU A 54 21.284 -9.529 -0.250 1.00 0.00 O ATOM 799 OE2 GLU A 54 23.267 -8.609 -0.476 1.00 0.00 O ATOM 0 H GLU A 54 23.123 -7.495 4.040 1.00 0.00 H new ATOM 0 HA GLU A 54 20.839 -6.079 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 54 22.113 -8.787 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.415 -8.644 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.879 -6.988 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.547 -6.840 1.090 1.00 0.00 H new ATOM 806 N HIS A 55 19.915 -6.576 5.444 1.00 0.00 N ATOM 807 CA HIS A 55 18.943 -6.868 6.492 1.00 0.00 C ATOM 808 C HIS A 55 17.704 -5.990 6.342 1.00 0.00 C ATOM 809 O HIS A 55 17.798 -4.763 6.331 1.00 0.00 O ATOM 810 CB HIS A 55 19.568 -6.656 7.871 1.00 0.00 C ATOM 811 CG HIS A 55 20.239 -7.878 8.418 1.00 0.00 C ATOM 812 ND1 HIS A 55 20.145 -8.259 9.740 1.00 0.00 N ATOM 813 CD2 HIS A 55 21.015 -8.808 7.814 1.00 0.00 C ATOM 814 CE1 HIS A 55 20.837 -9.370 9.926 1.00 0.00 C ATOM 815 NE2 HIS A 55 21.374 -9.724 8.772 1.00 0.00 N ATOM 0 H HIS A 55 20.392 -5.680 5.548 1.00 0.00 H new ATOM 0 HA HIS A 55 18.643 -7.911 6.395 1.00 0.00 H new ATOM 0 HB2 HIS A 55 20.297 -5.848 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 55 18.793 -6.335 8.567 1.00 0.00 H new ATOM 0 HD2 HIS A 55 21.299 -8.826 6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 55 20.945 -9.898 10.862 1.00 0.00 H new ATOM 0 HE2 HIS A 55 21.960 -10.544 8.618 1.00 0.00 H new ATOM 824 N SER A 56 16.543 -6.628 6.226 1.00 0.00 N ATOM 825 CA SER A 56 15.286 -5.905 6.073 1.00 0.00 C ATOM 826 C SER A 56 14.965 -5.100 7.328 1.00 0.00 C ATOM 827 O SER A 56 15.064 -5.605 8.446 1.00 0.00 O ATOM 828 CB SER A 56 14.146 -6.881 5.774 1.00 0.00 C ATOM 829 OG SER A 56 14.041 -7.133 4.383 1.00 0.00 O ATOM 0 H SER A 56 16.447 -7.643 6.235 1.00 0.00 H new ATOM 0 HA SER A 56 15.393 -5.214 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.317 -7.818 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.206 -6.472 6.144 1.00 0.00 H new ATOM 0 HG SER A 56 13.307 -7.761 4.219 1.00 0.00 H new ATOM 835 N LYS A 57 14.581 -3.842 7.134 1.00 0.00 N ATOM 836 CA LYS A 57 14.244 -2.965 8.249 1.00 0.00 C ATOM 837 C LYS A 57 12.826 -3.231 8.741 1.00 0.00 C ATOM 838 O LYS A 57 12.071 -2.301 9.023 1.00 0.00 O ATOM 839 CB LYS A 57 14.384 -1.499 7.830 1.00 0.00 C ATOM 840 CG LYS A 57 15.774 -0.931 8.057 1.00 0.00 C ATOM 841 CD LYS A 57 15.959 0.395 7.338 1.00 0.00 C ATOM 842 CE LYS A 57 17.346 0.971 7.580 1.00 0.00 C ATOM 843 NZ LYS A 57 17.371 2.449 7.402 1.00 0.00 N ATOM 0 H LYS A 57 14.496 -3.408 6.215 1.00 0.00 H new ATOM 0 HA LYS A 57 14.937 -3.172 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.131 -1.406 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.661 -0.901 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.942 -0.793 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 57 16.521 -1.643 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.804 0.255 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.205 1.104 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.672 0.721 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 57 18.056 0.510 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 18.333 2.803 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.084 2.687 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.713 2.891 8.075 1.00 0.00 H new ATOM 857 N GLY A 58 12.469 -4.508 8.844 1.00 0.00 N ATOM 858 CA GLY A 58 11.143 -4.873 9.305 1.00 0.00 C ATOM 859 C GLY A 58 10.073 -3.922 8.805 1.00 0.00 C ATOM 860 O GLY A 58 9.114 -3.626 9.518 1.00 0.00 O ATOM 0 H GLY A 58 13.075 -5.296 8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.911 -5.884 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.132 -4.887 10.395 1.00 0.00 H new ATOM 864 N CYS A 59 10.239 -3.441 7.578 1.00 0.00 N ATOM 865 CA CYS A 59 9.280 -2.516 6.984 1.00 0.00 C ATOM 866 C CYS A 59 9.433 -2.474 5.467 1.00 0.00 C ATOM 867 O CYS A 59 10.516 -2.719 4.935 1.00 0.00 O ATOM 868 CB CYS A 59 9.466 -1.114 7.566 1.00 0.00 C ATOM 869 SG CYS A 59 11.086 -0.384 7.232 1.00 0.00 S ATOM 0 H CYS A 59 11.028 -3.676 6.975 1.00 0.00 H new ATOM 0 HA CYS A 59 8.276 -2.870 7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.694 -0.459 7.162 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.314 -1.157 8.645 1.00 0.00 H new ATOM 0 HG CYS A 59 11.966 -0.892 8.042 1.00 0.00 H new ATOM 875 N ALA A 60 8.342 -2.163 4.776 1.00 0.00 N ATOM 876 CA ALA A 60 8.355 -2.089 3.320 1.00 0.00 C ATOM 877 C ALA A 60 7.212 -1.221 2.804 1.00 0.00 C ATOM 878 O ALA A 60 6.195 -1.051 3.478 1.00 0.00 O ATOM 879 CB ALA A 60 8.272 -3.485 2.720 1.00 0.00 C ATOM 0 H ALA A 60 7.438 -1.958 5.201 1.00 0.00 H new ATOM 0 HA ALA A 60 9.294 -1.628 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.283 -3.415 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.125 -4.076 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.349 -3.966 3.044 1.00 0.00 H new ATOM 885 N PHE A 61 7.386 -0.672 1.607 1.00 0.00 N ATOM 886 CA PHE A 61 6.370 0.181 1.002 1.00 0.00 C ATOM 887 C PHE A 61 5.876 -0.412 -0.315 1.00 0.00 C ATOM 888 O PHE A 61 6.669 -0.861 -1.142 1.00 0.00 O ATOM 889 CB PHE A 61 6.928 1.586 0.764 1.00 0.00 C ATOM 890 CG PHE A 61 7.621 2.167 1.963 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.968 1.928 2.185 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.925 2.951 2.869 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.607 2.461 3.288 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.560 3.487 3.974 1.00 0.00 C ATOM 895 CZ PHE A 61 8.903 3.242 4.183 1.00 0.00 C ATOM 0 H PHE A 61 8.221 -0.802 1.036 1.00 0.00 H new ATOM 0 HA PHE A 61 5.528 0.244 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.629 1.553 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.113 2.247 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.524 1.318 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.875 3.146 2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.657 2.267 3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.006 4.097 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.402 3.660 5.045 1.00 0.00 H new ATOM 905 N ALA A 62 4.560 -0.409 -0.501 1.00 0.00 N ATOM 906 CA ALA A 62 3.959 -0.945 -1.716 1.00 0.00 C ATOM 907 C ALA A 62 2.887 -0.006 -2.258 1.00 0.00 C ATOM 908 O ALA A 62 2.528 0.979 -1.613 1.00 0.00 O ATOM 909 CB ALA A 62 3.372 -2.323 -1.452 1.00 0.00 C ATOM 0 H ALA A 62 3.890 -0.041 0.174 1.00 0.00 H new ATOM 0 HA ALA A 62 4.742 -1.035 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.927 -2.710 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.161 -2.997 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.607 -2.251 -0.679 1.00 0.00 H new ATOM 915 N GLN A 63 2.380 -0.318 -3.447 1.00 0.00 N ATOM 916 CA GLN A 63 1.349 0.500 -4.076 1.00 0.00 C ATOM 917 C GLN A 63 0.365 -0.368 -4.853 1.00 0.00 C ATOM 918 O GLN A 63 0.765 -1.235 -5.630 1.00 0.00 O ATOM 919 CB GLN A 63 1.986 1.532 -5.009 1.00 0.00 C ATOM 920 CG GLN A 63 1.047 2.664 -5.394 1.00 0.00 C ATOM 921 CD GLN A 63 1.343 3.223 -6.772 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.531 3.105 -7.690 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.510 3.839 -6.923 1.00 0.00 N ATOM 0 H GLN A 63 2.666 -1.130 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 63 0.803 1.021 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.868 1.951 -4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.327 1.030 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.019 2.304 -5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.126 3.463 -4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.153 3.914 -6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.763 4.237 -7.827 1.00 0.00 H new ATOM 932 N PHE A 64 -0.924 -0.128 -4.639 1.00 0.00 N ATOM 933 CA PHE A 64 -1.966 -0.889 -5.318 1.00 0.00 C ATOM 934 C PHE A 64 -2.355 -0.223 -6.635 1.00 0.00 C ATOM 935 O PHE A 64 -1.951 0.906 -6.915 1.00 0.00 O ATOM 936 CB PHE A 64 -3.197 -1.025 -4.419 1.00 0.00 C ATOM 937 CG PHE A 64 -3.168 -2.245 -3.544 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.402 -3.502 -4.077 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.908 -2.134 -2.187 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.376 -4.627 -3.274 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.880 -3.255 -1.380 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.115 -4.503 -1.923 1.00 0.00 C ATOM 0 H PHE A 64 -1.272 0.587 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.572 -1.882 -5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.277 -0.138 -3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.091 -1.056 -5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.607 -3.604 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.725 -1.161 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.559 -5.601 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.674 -3.155 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.095 -5.380 -1.293 1.00 0.00 H new ATOM 952 N MET A 65 -3.142 -0.930 -7.440 1.00 0.00 N ATOM 953 CA MET A 65 -3.586 -0.407 -8.726 1.00 0.00 C ATOM 954 C MET A 65 -4.840 0.446 -8.563 1.00 0.00 C ATOM 955 O MET A 65 -5.122 1.318 -9.385 1.00 0.00 O ATOM 956 CB MET A 65 -3.859 -1.555 -9.701 1.00 0.00 C ATOM 957 CG MET A 65 -2.603 -2.109 -10.353 1.00 0.00 C ATOM 958 SD MET A 65 -2.909 -2.762 -12.006 1.00 0.00 S ATOM 959 CE MET A 65 -1.794 -1.754 -12.980 1.00 0.00 C ATOM 0 H MET A 65 -3.485 -1.866 -7.224 1.00 0.00 H new ATOM 0 HA MET A 65 -2.791 0.221 -9.128 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.368 -2.359 -9.169 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.539 -1.207 -10.479 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.851 -1.322 -10.411 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.190 -2.899 -9.725 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.868 -2.039 -14.029 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.063 -0.703 -12.870 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.771 -1.905 -12.634 1.00 0.00 H new ATOM 969 N THR A 66 -5.591 0.188 -7.497 1.00 0.00 N ATOM 970 CA THR A 66 -6.816 0.931 -7.227 1.00 0.00 C ATOM 971 C THR A 66 -6.971 1.211 -5.736 1.00 0.00 C ATOM 972 O THR A 66 -6.578 0.400 -4.899 1.00 0.00 O ATOM 973 CB THR A 66 -8.057 0.168 -7.726 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.995 -1.199 -7.304 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.157 0.232 -9.243 1.00 0.00 C ATOM 0 H THR A 66 -5.372 -0.530 -6.806 1.00 0.00 H new ATOM 0 HA THR A 66 -6.739 1.875 -7.766 1.00 0.00 H new ATOM 0 HB THR A 66 -8.942 0.639 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.789 -1.676 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.041 -0.314 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.234 1.272 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.268 -0.217 -9.686 1.00 0.00 H new ATOM 983 N GLN A 67 -7.548 2.364 -5.413 1.00 0.00 N ATOM 984 CA GLN A 67 -7.755 2.751 -4.022 1.00 0.00 C ATOM 985 C GLN A 67 -8.456 1.640 -3.247 1.00 0.00 C ATOM 986 O GLN A 67 -8.012 1.249 -2.168 1.00 0.00 O ATOM 987 CB GLN A 67 -8.577 4.038 -3.946 1.00 0.00 C ATOM 988 CG GLN A 67 -7.738 5.302 -4.043 1.00 0.00 C ATOM 989 CD GLN A 67 -6.972 5.594 -2.767 1.00 0.00 C ATOM 990 OE1 GLN A 67 -6.369 4.700 -2.174 1.00 0.00 O ATOM 991 NE2 GLN A 67 -6.993 6.851 -2.338 1.00 0.00 N ATOM 0 H GLN A 67 -7.880 3.046 -6.095 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.778 2.925 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.313 4.038 -4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.131 4.051 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.035 5.204 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.386 6.147 -4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.506 7.560 -2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.496 7.107 -1.485 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.552 1.136 -3.805 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.314 0.070 -3.165 1.00 0.00 C ATOM 1002 C GLU A 68 -9.389 -1.037 -2.668 1.00 0.00 C ATOM 1003 O GLU A 68 -9.561 -1.556 -1.565 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.343 -0.508 -4.139 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.583 -1.061 -3.457 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.567 0.024 -3.067 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -14.235 0.571 -3.970 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -13.670 0.327 -1.860 1.00 0.00 O ATOM 0 H GLU A 68 -9.932 1.448 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.836 0.496 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.642 0.269 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.874 -1.302 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.074 -1.769 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.287 -1.615 -2.566 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.408 -1.394 -3.491 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.455 -2.438 -3.136 1.00 0.00 C ATOM 1017 C ALA A 69 -6.778 -2.133 -1.804 1.00 0.00 C ATOM 1018 O ALA A 69 -6.964 -2.852 -0.823 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.415 -2.600 -4.234 1.00 0.00 C ATOM 0 H ALA A 69 -8.253 -0.975 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.003 -3.374 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.710 -3.383 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.910 -2.873 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.879 -1.661 -4.369 1.00 0.00 H new ATOM 1025 N ALA A 70 -5.990 -1.063 -1.778 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.286 -0.663 -0.566 1.00 0.00 C ATOM 1027 C ALA A 70 -6.186 -0.786 0.659 1.00 0.00 C ATOM 1028 O ALA A 70 -5.770 -1.298 1.697 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.769 0.762 -0.702 1.00 0.00 C ATOM 0 H ALA A 70 -5.823 -0.458 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.438 -1.335 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.245 1.048 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.084 0.821 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.607 1.439 -0.866 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.422 -0.313 0.529 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.380 -0.369 1.626 1.00 0.00 C ATOM 1037 C GLN A 71 -8.718 -1.814 1.980 1.00 0.00 C ATOM 1038 O GLN A 71 -8.829 -2.167 3.155 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.656 0.390 1.257 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.402 1.809 0.775 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.295 2.498 1.548 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -7.053 2.119 1.270 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 -8.553 3.363 2.386 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.783 0.113 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.925 0.103 2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.184 -0.160 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.314 0.422 2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.142 1.788 -0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.320 2.390 0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.522 3.624 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.797 3.819 2.898 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.880 -2.646 0.957 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.204 -4.053 1.159 1.00 0.00 C ATOM 1054 C LYS A 72 -8.068 -4.776 1.876 1.00 0.00 C ATOM 1055 O LYS A 72 -8.288 -5.783 2.550 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.487 -4.730 -0.184 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.862 -4.415 -0.747 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.058 -5.036 -2.119 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.397 -4.641 -2.723 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.898 -5.665 -3.681 1.00 0.00 N ATOM 0 H LYS A 72 -8.792 -2.370 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.096 -4.109 1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.729 -4.421 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.391 -5.809 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.628 -4.785 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.990 -3.335 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.252 -4.720 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.999 -6.122 -2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.128 -4.501 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.296 -3.684 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.812 -5.358 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.213 -5.781 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.019 -6.572 -3.187 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.855 -4.255 1.727 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.684 -4.851 2.361 1.00 0.00 C ATOM 1076 C CYS A 73 -5.607 -4.464 3.834 1.00 0.00 C ATOM 1077 O CYS A 73 -5.213 -5.269 4.679 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.409 -4.414 1.639 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.883 -4.860 2.500 1.00 0.00 S ATOM 0 H CYS A 73 -6.657 -3.422 1.173 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.777 -5.935 2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.396 -4.860 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.434 -3.333 1.503 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.172 -5.366 3.662 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.985 -3.227 4.135 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.957 -2.731 5.507 1.00 0.00 C ATOM 1087 C LEU A 74 -6.897 -3.538 6.397 1.00 0.00 C ATOM 1088 O LEU A 74 -6.468 -4.158 7.369 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.347 -1.252 5.544 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.395 -0.289 4.834 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -5.981 1.114 4.800 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.034 -0.285 5.516 1.00 0.00 C ATOM 0 H LEU A 74 -6.314 -2.549 3.448 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.941 -2.842 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.337 -1.147 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.431 -0.945 6.586 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.264 -0.630 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.289 1.785 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.931 1.099 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.143 1.465 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.369 0.406 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.148 0.030 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.609 -1.288 5.486 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.181 -3.528 6.055 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.181 -4.263 6.820 1.00 0.00 C ATOM 1106 C ALA A 75 -8.759 -5.714 7.024 1.00 0.00 C ATOM 1107 O ALA A 75 -9.033 -6.309 8.066 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.532 -4.197 6.123 1.00 0.00 C ATOM 0 H ALA A 75 -8.553 -3.019 5.253 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.267 -3.796 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.269 -4.750 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.845 -3.157 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.450 -4.637 5.129 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.092 -6.278 6.023 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.631 -7.659 6.093 1.00 0.00 C ATOM 1116 C ALA A 76 -6.389 -7.779 6.969 1.00 0.00 C ATOM 1117 O ALA A 76 -6.171 -8.802 7.616 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.349 -8.193 4.697 1.00 0.00 C ATOM 0 H ALA A 76 -7.859 -5.799 5.153 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.422 -8.258 6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.006 -9.225 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.261 -8.152 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.578 -7.585 4.224 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.577 -6.726 6.984 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.357 -6.714 7.782 1.00 0.00 C ATOM 1126 C ALA A 77 -4.668 -6.487 9.257 1.00 0.00 C ATOM 1127 O ALA A 77 -4.022 -7.062 10.133 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.404 -5.644 7.271 1.00 0.00 C ATOM 0 H ALA A 77 -5.742 -5.871 6.453 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.879 -7.689 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.497 -5.646 7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.148 -5.851 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.883 -4.667 7.339 1.00 0.00 H new ATOM 1134 N SER A 78 -5.661 -5.644 9.525 1.00 0.00 N ATOM 1135 CA SER A 78 -6.054 -5.338 10.896 1.00 0.00 C ATOM 1136 C SER A 78 -6.865 -6.482 11.497 1.00 0.00 C ATOM 1137 O SER A 78 -8.055 -6.629 11.217 1.00 0.00 O ATOM 1138 CB SER A 78 -6.869 -4.044 10.937 1.00 0.00 C ATOM 1139 OG SER A 78 -6.692 -3.369 12.171 1.00 0.00 O ATOM 0 H SER A 78 -6.207 -5.161 8.812 1.00 0.00 H new ATOM 0 HA SER A 78 -5.148 -5.208 11.488 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.566 -3.394 10.116 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.925 -4.271 10.791 1.00 0.00 H new ATOM 0 HG SER A 78 -7.222 -2.544 12.172 1.00 0.00 H new ATOM 1145 N LEU A 79 -6.212 -7.290 12.324 1.00 0.00 N ATOM 1146 CA LEU A 79 -6.870 -8.422 12.967 1.00 0.00 C ATOM 1147 C LEU A 79 -8.207 -8.004 13.571 1.00 0.00 C ATOM 1148 O LEU A 79 -9.081 -8.837 13.804 1.00 0.00 O ATOM 1149 CB LEU A 79 -5.969 -9.013 14.052 1.00 0.00 C ATOM 1150 CG LEU A 79 -5.695 -8.115 15.259 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -5.391 -8.953 16.491 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -4.545 -7.162 14.964 1.00 0.00 C ATOM 0 H LEU A 79 -5.227 -7.183 12.565 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.057 -9.181 12.207 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.422 -9.938 14.408 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.014 -9.279 13.598 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.589 -7.525 15.458 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.199 -8.296 17.339 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.244 -9.594 16.714 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.512 -9.570 16.304 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.364 -6.530 15.834 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.646 -7.736 14.738 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.801 -6.537 14.109 1.00 0.00 H new ATOM 1164 N GLU A 80 -8.357 -6.707 13.821 1.00 0.00 N ATOM 1165 CA GLU A 80 -9.588 -6.178 14.397 1.00 0.00 C ATOM 1166 C GLU A 80 -10.747 -6.302 13.412 1.00 0.00 C ATOM 1167 O GLU A 80 -11.797 -6.855 13.739 1.00 0.00 O ATOM 1168 CB GLU A 80 -9.401 -4.714 14.800 1.00 0.00 C ATOM 1169 CG GLU A 80 -10.678 -4.048 15.283 1.00 0.00 C ATOM 1170 CD GLU A 80 -10.416 -2.744 16.013 1.00 0.00 C ATOM 1171 OE1 GLU A 80 -10.290 -1.701 15.339 1.00 0.00 O ATOM 1172 OE2 GLU A 80 -10.339 -2.768 17.259 1.00 0.00 O ATOM 0 H GLU A 80 -7.642 -6.004 13.634 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.824 -6.764 15.285 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.650 -4.656 15.588 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.011 -4.158 13.947 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.329 -3.858 14.430 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.211 -4.730 15.945 1.00 0.00 H new ATOM 1179 N ALA A 81 -10.548 -5.783 12.205 1.00 0.00 N ATOM 1180 CA ALA A 81 -11.574 -5.836 11.171 1.00 0.00 C ATOM 1181 C ALA A 81 -11.970 -7.277 10.865 1.00 0.00 C ATOM 1182 O ALA A 81 -11.113 -8.144 10.701 1.00 0.00 O ATOM 1183 CB ALA A 81 -11.088 -5.141 9.909 1.00 0.00 C ATOM 0 H ALA A 81 -9.685 -5.321 11.919 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.456 -5.315 11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.864 -5.188 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.862 -4.098 10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.189 -5.637 9.544 1.00 0.00 H new ATOM 1189 N GLU A 82 -13.275 -7.524 10.791 1.00 0.00 N ATOM 1190 CA GLU A 82 -13.783 -8.860 10.506 1.00 0.00 C ATOM 1191 C GLU A 82 -12.875 -9.928 11.109 1.00 0.00 C ATOM 1192 O GLU A 82 -12.604 -10.953 10.485 1.00 0.00 O ATOM 1193 CB GLU A 82 -13.904 -9.073 8.995 1.00 0.00 C ATOM 1194 CG GLU A 82 -14.309 -7.821 8.235 1.00 0.00 C ATOM 1195 CD GLU A 82 -13.911 -7.872 6.773 1.00 0.00 C ATOM 1196 OE1 GLU A 82 -14.144 -8.917 6.130 1.00 0.00 O ATOM 1197 OE2 GLU A 82 -13.367 -6.866 6.271 1.00 0.00 O ATOM 0 H GLU A 82 -13.998 -6.817 10.924 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.771 -8.949 10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.949 -9.429 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.637 -9.857 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.388 -7.688 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.848 -6.951 8.703 1.00 0.00 H new ATOM 1204 N GLY A 83 -12.407 -9.678 12.328 1.00 0.00 N ATOM 1205 CA GLY A 83 -11.534 -10.626 12.996 1.00 0.00 C ATOM 1206 C GLY A 83 -10.594 -11.325 12.035 1.00 0.00 C ATOM 1207 O GLY A 83 -10.451 -12.547 12.073 1.00 0.00 O ATOM 0 H GLY A 83 -12.617 -8.836 12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.951 -10.105 13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.139 -11.370 13.513 1.00 0.00 H new ATOM 1211 N GLY A 84 -9.951 -10.549 11.168 1.00 0.00 N ATOM 1212 CA GLY A 84 -9.029 -11.119 10.203 1.00 0.00 C ATOM 1213 C GLY A 84 -7.750 -10.315 10.078 1.00 0.00 C ATOM 1214 O GLY A 84 -7.788 -9.102 9.873 1.00 0.00 O ATOM 0 H GLY A 84 -10.052 -9.535 11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.785 -12.140 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.516 -11.175 9.229 1.00 0.00 H new ATOM 1218 N GLY A 85 -6.612 -10.991 10.202 1.00 0.00 N ATOM 1219 CA GLY A 85 -5.332 -10.315 10.100 1.00 0.00 C ATOM 1220 C GLY A 85 -4.322 -11.105 9.291 1.00 0.00 C ATOM 1221 O GLY A 85 -4.387 -12.333 9.232 1.00 0.00 O ATOM 0 H GLY A 85 -6.554 -11.995 10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.477 -9.337 9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.936 -10.141 11.100 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.388 -10.399 8.664 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.360 -11.041 7.852 1.00 0.00 C ATOM 1227 C LEU A 86 -1.145 -11.405 8.699 1.00 0.00 C ATOM 1228 O LEU A 86 -0.834 -10.729 9.680 1.00 0.00 O ATOM 1229 CB LEU A 86 -1.940 -10.121 6.705 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.759 -10.235 5.418 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.214 -9.877 5.678 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.174 -9.343 4.333 1.00 0.00 C ATOM 0 H LEU A 86 -3.321 -9.382 8.702 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.779 -11.958 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.992 -9.090 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.896 -10.324 6.467 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.716 -11.268 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.781 -9.964 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.629 -10.557 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.276 -8.853 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.769 -9.437 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.186 -8.306 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.147 -9.646 4.127 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.460 -12.476 8.313 1.00 0.00 N ATOM 1245 CA LYS A 87 0.724 -12.928 9.033 1.00 0.00 C ATOM 1246 C LYS A 87 1.731 -13.564 8.080 1.00 0.00 C ATOM 1247 O LYS A 87 1.354 -14.226 7.113 1.00 0.00 O ATOM 1248 CB LYS A 87 0.332 -13.931 10.121 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.439 -13.309 11.272 1.00 0.00 C ATOM 1250 CD LYS A 87 -0.192 -14.051 12.575 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.838 -13.339 13.753 1.00 0.00 C ATOM 1252 NZ LYS A 87 -2.296 -13.627 13.843 1.00 0.00 N ATOM 0 H LYS A 87 -0.705 -13.048 7.505 1.00 0.00 H new ATOM 0 HA LYS A 87 1.189 -12.059 9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.272 -14.721 9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.234 -14.402 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.146 -12.265 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.505 -13.318 11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.588 -15.064 12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.881 -14.140 12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.349 -13.648 14.677 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.685 -12.264 13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.700 -13.123 14.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.767 -13.309 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.441 -14.650 13.961 1.00 0.00 H new ATOM 1266 N LEU A 88 3.014 -13.359 8.360 1.00 0.00 N ATOM 1267 CA LEU A 88 4.076 -13.914 7.528 1.00 0.00 C ATOM 1268 C LEU A 88 5.179 -14.523 8.388 1.00 0.00 C ATOM 1269 O LEU A 88 5.914 -13.809 9.070 1.00 0.00 O ATOM 1270 CB LEU A 88 4.661 -12.829 6.622 1.00 0.00 C ATOM 1271 CG LEU A 88 5.218 -13.304 5.280 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.119 -13.346 4.230 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.358 -12.403 4.827 1.00 0.00 C ATOM 0 H LEU A 88 3.343 -12.813 9.156 1.00 0.00 H new ATOM 0 HA LEU A 88 3.645 -14.702 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.885 -12.088 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.459 -12.322 7.165 1.00 0.00 H new ATOM 0 HG LEU A 88 5.608 -14.314 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.535 -13.686 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.336 -14.033 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.698 -12.349 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.742 -12.756 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.993 -11.382 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.156 -12.425 5.569 1.00 0.00 H new ATOM 1285 N ASP A 89 5.290 -15.846 8.349 1.00 0.00 N ATOM 1286 CA ASP A 89 6.306 -16.552 9.122 1.00 0.00 C ATOM 1287 C ASP A 89 6.081 -16.360 10.618 1.00 0.00 C ATOM 1288 O ASP A 89 7.026 -16.368 11.405 1.00 0.00 O ATOM 1289 CB ASP A 89 7.702 -16.061 8.737 1.00 0.00 C ATOM 1290 CG ASP A 89 8.281 -16.826 7.562 1.00 0.00 C ATOM 1291 OD1 ASP A 89 8.913 -17.878 7.793 1.00 0.00 O ATOM 1292 OD2 ASP A 89 8.103 -16.372 6.412 1.00 0.00 O ATOM 0 H ASP A 89 4.689 -16.452 7.790 1.00 0.00 H new ATOM 0 HA ASP A 89 6.227 -17.615 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.656 -15.001 8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.368 -16.159 9.594 1.00 0.00 H new ATOM 1297 N GLY A 90 4.820 -16.185 11.005 1.00 0.00 N ATOM 1298 CA GLY A 90 4.494 -15.992 12.405 1.00 0.00 C ATOM 1299 C GLY A 90 4.654 -14.550 12.845 1.00 0.00 C ATOM 1300 O GLY A 90 4.897 -14.276 14.020 1.00 0.00 O ATOM 0 H GLY A 90 4.019 -16.174 10.373 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.467 -16.311 12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.135 -16.628 13.015 1.00 0.00 H new ATOM 1304 N ARG A 91 4.521 -13.626 11.899 1.00 0.00 N ATOM 1305 CA ARG A 91 4.656 -12.205 12.194 1.00 0.00 C ATOM 1306 C ARG A 91 3.443 -11.428 11.692 1.00 0.00 C ATOM 1307 O ARG A 91 3.135 -11.443 10.500 1.00 0.00 O ATOM 1308 CB ARG A 91 5.931 -11.649 11.557 1.00 0.00 C ATOM 1309 CG ARG A 91 7.200 -12.027 12.303 1.00 0.00 C ATOM 1310 CD ARG A 91 7.528 -11.016 13.391 1.00 0.00 C ATOM 1311 NE ARG A 91 8.701 -11.408 14.167 1.00 0.00 N ATOM 1312 CZ ARG A 91 9.329 -10.597 15.012 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.897 -9.356 15.188 1.00 0.00 N ATOM 1314 NH2 ARG A 91 10.390 -11.028 15.683 1.00 0.00 N ATOM 0 H ARG A 91 4.320 -13.836 10.921 1.00 0.00 H new ATOM 0 HA ARG A 91 4.718 -12.088 13.276 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.002 -12.010 10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.858 -10.563 11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.082 -13.016 12.747 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.031 -12.090 11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.703 -10.040 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.672 -10.910 14.057 1.00 0.00 H new ATOM 0 HE ARG A 91 9.058 -12.357 14.054 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.081 -9.022 14.674 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.380 -8.735 15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.724 -11.983 15.550 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.871 -10.405 16.331 1.00 0.00 H new ATOM 1328 N GLN A 92 2.759 -10.751 12.609 1.00 0.00 N ATOM 1329 CA GLN A 92 1.579 -9.969 12.259 1.00 0.00 C ATOM 1330 C GLN A 92 1.959 -8.764 11.405 1.00 0.00 C ATOM 1331 O GLN A 92 2.535 -7.795 11.902 1.00 0.00 O ATOM 1332 CB GLN A 92 0.855 -9.506 13.523 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.648 -9.359 13.345 1.00 0.00 C ATOM 1334 CD GLN A 92 -1.012 -8.536 12.125 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -0.516 -7.424 11.941 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.884 -9.078 11.283 1.00 0.00 N ATOM 0 H GLN A 92 3.002 -10.728 13.599 1.00 0.00 H new ATOM 0 HA GLN A 92 0.911 -10.606 11.679 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.049 -10.219 14.325 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.270 -8.549 13.839 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.099 -10.348 13.259 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.072 -8.891 14.234 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.271 -10.002 11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.167 -8.570 10.445 1.00 0.00 H new ATOM 1345 N LEU A 93 1.633 -8.829 10.119 1.00 0.00 N ATOM 1346 CA LEU A 93 1.940 -7.742 9.196 1.00 0.00 C ATOM 1347 C LEU A 93 1.042 -6.537 9.456 1.00 0.00 C ATOM 1348 O LEU A 93 -0.175 -6.672 9.586 1.00 0.00 O ATOM 1349 CB LEU A 93 1.774 -8.213 7.750 1.00 0.00 C ATOM 1350 CG LEU A 93 2.577 -9.452 7.352 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.635 -9.588 5.838 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.980 -9.390 7.937 1.00 0.00 C ATOM 0 H LEU A 93 1.156 -9.623 9.692 1.00 0.00 H new ATOM 0 HA LEU A 93 2.975 -7.442 9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.718 -8.417 7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.055 -7.394 7.088 1.00 0.00 H new ATOM 0 HG LEU A 93 2.075 -10.331 7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.211 -10.475 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.624 -9.680 5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.112 -8.706 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.536 -10.280 7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.491 -8.503 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.919 -9.343 9.024 1.00 0.00 H new ATOM 1364 N LYS A 94 1.650 -5.358 9.528 1.00 0.00 N ATOM 1365 CA LYS A 94 0.906 -4.127 9.768 1.00 0.00 C ATOM 1366 C LYS A 94 0.858 -3.266 8.510 1.00 0.00 C ATOM 1367 O LYS A 94 1.831 -2.594 8.167 1.00 0.00 O ATOM 1368 CB LYS A 94 1.543 -3.338 10.915 1.00 0.00 C ATOM 1369 CG LYS A 94 1.068 -3.772 12.290 1.00 0.00 C ATOM 1370 CD LYS A 94 1.631 -5.131 12.671 1.00 0.00 C ATOM 1371 CE LYS A 94 1.578 -5.355 14.175 1.00 0.00 C ATOM 1372 NZ LYS A 94 2.756 -4.762 14.866 1.00 0.00 N ATOM 0 H LYS A 94 2.656 -5.229 9.424 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.114 -4.396 10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.626 -3.448 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.323 -2.279 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.370 -3.031 13.031 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.021 -3.811 12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.067 -5.915 12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.662 -5.208 12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.664 -4.917 14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.536 -6.424 14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.666 -4.906 15.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.625 -5.222 14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.801 -3.743 14.662 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.282 -3.289 7.826 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.458 -2.509 6.607 1.00 0.00 C ATOM 1388 C VAL A 95 -1.243 -1.231 6.882 1.00 0.00 C ATOM 1389 O VAL A 95 -2.309 -1.265 7.497 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.186 -3.322 5.521 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.181 -2.571 4.198 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.549 -4.695 5.367 1.00 0.00 C ATOM 0 H VAL A 95 -1.097 -3.839 8.096 1.00 0.00 H new ATOM 0 HA VAL A 95 0.539 -2.250 6.249 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.223 -3.460 5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.700 -3.161 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.687 -1.613 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.152 -2.400 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.076 -5.256 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.497 -4.581 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.611 -5.233 6.313 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.709 -0.105 6.421 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.360 1.185 6.616 1.00 0.00 C ATOM 1404 C ASP A 96 -1.137 2.093 5.410 1.00 0.00 C ATOM 1405 O ASP A 96 -0.068 2.079 4.799 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.834 1.861 7.883 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.291 3.301 8.004 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.517 3.537 8.012 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -0.421 4.193 8.090 1.00 0.00 O ATOM 0 H ASP A 96 0.173 -0.060 5.910 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.430 1.011 6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.170 1.302 8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.255 1.828 7.883 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.152 2.881 5.074 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.068 3.796 3.940 1.00 0.00 C ATOM 1416 C LEU A 97 -0.961 4.824 4.152 1.00 0.00 C ATOM 1417 O LEU A 97 -1.147 5.814 4.859 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.406 4.506 3.732 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.571 5.252 2.407 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.241 5.830 1.951 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.147 4.329 1.343 1.00 0.00 C ATOM 0 H LEU A 97 -3.043 2.905 5.570 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.832 3.213 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.203 3.767 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.548 5.217 4.546 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.268 6.076 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.378 6.357 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.869 6.525 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.521 5.023 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.257 4.877 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.475 3.484 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.122 3.964 1.667 1.00 0.00 H new ATOM 1433 N ALA A 98 0.190 4.583 3.532 1.00 0.00 N ATOM 1434 CA ALA A 98 1.324 5.491 3.649 1.00 0.00 C ATOM 1435 C ALA A 98 1.213 6.640 2.654 1.00 0.00 C ATOM 1436 O ALA A 98 0.229 6.748 1.921 1.00 0.00 O ATOM 1437 CB ALA A 98 2.628 4.734 3.441 1.00 0.00 C ATOM 0 H ALA A 98 0.361 3.767 2.944 1.00 0.00 H new ATOM 0 HA ALA A 98 1.317 5.914 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.467 5.424 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.719 3.952 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.633 4.284 2.448 1.00 0.00 H new ATOM 1443 N VAL A 99 2.228 7.499 2.632 1.00 0.00 N ATOM 1444 CA VAL A 99 2.244 8.641 1.726 1.00 0.00 C ATOM 1445 C VAL A 99 3.640 8.874 1.160 1.00 0.00 C ATOM 1446 O VAL A 99 4.621 8.939 1.902 1.00 0.00 O ATOM 1447 CB VAL A 99 1.767 9.925 2.433 1.00 0.00 C ATOM 1448 CG1 VAL A 99 2.658 10.240 3.625 1.00 0.00 C ATOM 1449 CG2 VAL A 99 1.738 11.090 1.456 1.00 0.00 C ATOM 0 H VAL A 99 3.050 7.425 3.232 1.00 0.00 H new ATOM 0 HA VAL A 99 1.559 8.408 0.911 1.00 0.00 H new ATOM 0 HB VAL A 99 0.754 9.763 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.306 11.150 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.624 9.413 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.683 10.384 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.399 11.989 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.739 11.256 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.055 10.862 0.638 1.00 0.00 H new ATOM 1459 N THR A 100 3.724 9.001 -0.161 1.00 0.00 N ATOM 1460 CA THR A 100 5.000 9.226 -0.828 1.00 0.00 C ATOM 1461 C THR A 100 5.767 10.370 -0.175 1.00 0.00 C ATOM 1462 O THR A 100 5.197 11.419 0.127 1.00 0.00 O ATOM 1463 CB THR A 100 4.804 9.541 -2.323 1.00 0.00 C ATOM 1464 OG1 THR A 100 6.073 9.778 -2.943 1.00 0.00 O ATOM 1465 CG2 THR A 100 3.909 10.757 -2.507 1.00 0.00 C ATOM 0 H THR A 100 2.923 8.952 -0.790 1.00 0.00 H new ATOM 0 HA THR A 100 5.575 8.305 -0.731 1.00 0.00 H new ATOM 0 HB THR A 100 4.324 8.683 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.941 9.976 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.785 10.960 -3.571 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.935 10.563 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.365 11.621 -2.023 1.00 0.00 H new ATOM 1473 N ARG A 101 7.061 10.162 0.040 1.00 0.00 N ATOM 1474 CA ARG A 101 7.906 11.176 0.658 1.00 0.00 C ATOM 1475 C ARG A 101 9.376 10.769 0.601 1.00 0.00 C ATOM 1476 O ARG A 101 9.746 9.680 1.042 1.00 0.00 O ATOM 1477 CB ARG A 101 7.486 11.406 2.111 1.00 0.00 C ATOM 1478 CG ARG A 101 7.863 10.265 3.041 1.00 0.00 C ATOM 1479 CD ARG A 101 7.036 10.290 4.317 1.00 0.00 C ATOM 1480 NE ARG A 101 7.640 11.134 5.345 1.00 0.00 N ATOM 1481 CZ ARG A 101 7.059 11.406 6.508 1.00 0.00 C ATOM 1482 NH1 ARG A 101 5.866 10.902 6.790 1.00 0.00 N ATOM 1483 NH2 ARG A 101 7.673 12.183 7.392 1.00 0.00 N ATOM 0 H ARG A 101 7.548 9.300 -0.205 1.00 0.00 H new ATOM 0 HA ARG A 101 7.782 12.104 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 101 7.947 12.325 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.407 11.554 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.716 9.314 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.922 10.333 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 101 6.034 10.654 4.092 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.928 9.275 4.699 1.00 0.00 H new ATOM 0 HE ARG A 101 8.559 11.537 5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.392 10.304 6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 101 5.422 11.112 7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.592 12.572 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.226 12.391 8.285 1.00 0.00 H new ATOM 1497 N ASP A 102 10.208 11.649 0.056 1.00 0.00 N ATOM 1498 CA ASP A 102 11.637 11.381 -0.058 1.00 0.00 C ATOM 1499 C ASP A 102 12.345 11.633 1.270 1.00 0.00 C ATOM 1500 O ASP A 102 12.398 12.764 1.750 1.00 0.00 O ATOM 1501 CB ASP A 102 12.255 12.253 -1.153 1.00 0.00 C ATOM 1502 CG ASP A 102 11.739 13.678 -1.118 1.00 0.00 C ATOM 1503 OD1 ASP A 102 11.427 14.169 -0.013 1.00 0.00 O ATOM 1504 OD2 ASP A 102 11.647 14.302 -2.196 1.00 0.00 O ATOM 0 H ASP A 102 9.918 12.554 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 102 11.765 10.332 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 102 13.339 12.259 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.039 11.815 -2.127 1.00 0.00 H new ATOM 1509 N GLU A 103 12.885 10.570 1.857 1.00 0.00 N ATOM 1510 CA GLU A 103 13.587 10.676 3.131 1.00 0.00 C ATOM 1511 C GLU A 103 15.090 10.491 2.940 1.00 0.00 C ATOM 1512 O GLU A 103 15.599 9.372 2.986 1.00 0.00 O ATOM 1513 CB GLU A 103 13.056 9.637 4.120 1.00 0.00 C ATOM 1514 CG GLU A 103 13.205 8.204 3.636 1.00 0.00 C ATOM 1515 CD GLU A 103 12.163 7.276 4.230 1.00 0.00 C ATOM 1516 OE1 GLU A 103 10.962 7.610 4.159 1.00 0.00 O ATOM 1517 OE2 GLU A 103 12.549 6.216 4.764 1.00 0.00 O ATOM 0 H GLU A 103 12.850 9.626 1.471 1.00 0.00 H new ATOM 0 HA GLU A 103 13.409 11.673 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.582 9.748 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.003 9.838 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.128 8.182 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.200 7.839 3.893 1.00 0.00 H new ATOM 1524 N ALA A 104 15.794 11.598 2.725 1.00 0.00 N ATOM 1525 CA ALA A 104 17.238 11.559 2.529 1.00 0.00 C ATOM 1526 C ALA A 104 17.943 12.556 3.443 1.00 0.00 C ATOM 1527 O ALA A 104 18.113 13.722 3.090 1.00 0.00 O ATOM 1528 CB ALA A 104 17.580 11.841 1.074 1.00 0.00 C ATOM 0 H ALA A 104 15.388 12.533 2.682 1.00 0.00 H new ATOM 0 HA ALA A 104 17.588 10.559 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 104 18.661 11.809 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 104 17.114 11.088 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 104 17.210 12.828 0.798 1.00 0.00 H new ATOM 1534 N ALA A 105 18.350 12.088 4.619 1.00 0.00 N ATOM 1535 CA ALA A 105 19.038 12.939 5.582 1.00 0.00 C ATOM 1536 C ALA A 105 20.478 12.481 5.789 1.00 0.00 C ATOM 1537 O ALA A 105 20.826 11.340 5.486 1.00 0.00 O ATOM 1538 CB ALA A 105 18.289 12.947 6.907 1.00 0.00 C ATOM 0 H ALA A 105 18.215 11.125 4.927 1.00 0.00 H new ATOM 0 HA ALA A 105 19.061 13.953 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 105 18.813 13.586 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 105 17.280 13.328 6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 105 18.237 11.932 7.302 1.00 0.00 H new ATOM 1544 N SER A 106 21.311 13.378 6.305 1.00 0.00 N ATOM 1545 CA SER A 106 22.715 13.068 6.548 1.00 0.00 C ATOM 1546 C SER A 106 23.343 14.091 7.489 1.00 0.00 C ATOM 1547 O SER A 106 23.158 15.296 7.327 1.00 0.00 O ATOM 1548 CB SER A 106 23.486 13.031 5.228 1.00 0.00 C ATOM 1549 OG SER A 106 23.410 11.750 4.628 1.00 0.00 O ATOM 0 H SER A 106 21.038 14.326 6.563 1.00 0.00 H new ATOM 0 HA SER A 106 22.769 12.087 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 106 23.082 13.780 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 106 24.529 13.291 5.405 1.00 0.00 H new ATOM 0 HG SER A 106 22.528 11.360 4.800 1.00 0.00 H new ATOM 1555 N GLY A 107 24.087 13.600 8.476 1.00 0.00 N ATOM 1556 CA GLY A 107 24.732 14.484 9.429 1.00 0.00 C ATOM 1557 C GLY A 107 25.568 13.731 10.445 1.00 0.00 C ATOM 1558 O GLY A 107 25.139 13.482 11.571 1.00 0.00 O ATOM 0 H GLY A 107 24.254 12.606 8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 107 25.366 15.190 8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 107 23.973 15.068 9.949 1.00 0.00 H new ATOM 1562 N PRO A 108 26.792 13.353 10.046 1.00 0.00 N ATOM 1563 CA PRO A 108 27.715 12.617 10.914 1.00 0.00 C ATOM 1564 C PRO A 108 28.246 13.477 12.056 1.00 0.00 C ATOM 1565 O PRO A 108 27.911 14.656 12.166 1.00 0.00 O ATOM 1566 CB PRO A 108 28.853 12.223 9.969 1.00 0.00 C ATOM 1567 CG PRO A 108 28.815 13.244 8.884 1.00 0.00 C ATOM 1568 CD PRO A 108 27.368 13.617 8.716 1.00 0.00 C ATOM 0 HA PRO A 108 27.231 11.769 11.397 1.00 0.00 H new ATOM 0 HB2 PRO A 108 29.814 12.227 10.483 1.00 0.00 H new ATOM 0 HB3 PRO A 108 28.708 11.218 9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 108 29.414 14.115 9.147 1.00 0.00 H new ATOM 0 HG3 PRO A 108 29.225 12.843 7.957 1.00 0.00 H new ATOM 0 HD2 PRO A 108 27.253 14.662 8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 108 26.886 13.019 7.943 1.00 0.00 H new ATOM 1576 N SER A 109 29.076 12.878 12.905 1.00 0.00 N ATOM 1577 CA SER A 109 29.651 13.588 14.041 1.00 0.00 C ATOM 1578 C SER A 109 31.172 13.632 13.942 1.00 0.00 C ATOM 1579 O SER A 109 31.788 12.778 13.304 1.00 0.00 O ATOM 1580 CB SER A 109 29.233 12.919 15.352 1.00 0.00 C ATOM 1581 OG SER A 109 27.919 13.299 15.722 1.00 0.00 O ATOM 0 H SER A 109 29.365 11.903 12.827 1.00 0.00 H new ATOM 0 HA SER A 109 29.274 14.611 14.027 1.00 0.00 H new ATOM 0 HB2 SER A 109 29.285 11.836 15.244 1.00 0.00 H new ATOM 0 HB3 SER A 109 29.931 13.194 16.143 1.00 0.00 H new ATOM 0 HG SER A 109 27.675 12.857 16.562 1.00 0.00 H new ATOM 1587 N SER A 110 31.772 14.633 14.578 1.00 0.00 N ATOM 1588 CA SER A 110 33.222 14.792 14.559 1.00 0.00 C ATOM 1589 C SER A 110 33.795 14.714 15.971 1.00 0.00 C ATOM 1590 O SER A 110 33.058 14.581 16.946 1.00 0.00 O ATOM 1591 CB SER A 110 33.602 16.126 13.914 1.00 0.00 C ATOM 1592 OG SER A 110 33.130 16.200 12.580 1.00 0.00 O ATOM 0 H SER A 110 31.277 15.346 15.113 1.00 0.00 H new ATOM 0 HA SER A 110 33.645 13.979 13.969 1.00 0.00 H new ATOM 0 HB2 SER A 110 33.185 16.947 14.497 1.00 0.00 H new ATOM 0 HB3 SER A 110 34.685 16.244 13.927 1.00 0.00 H new ATOM 0 HG SER A 110 33.384 17.063 12.190 1.00 0.00 H new ATOM 1598 N GLY A 111 35.119 14.799 16.071 1.00 0.00 N ATOM 1599 CA GLY A 111 35.770 14.737 17.366 1.00 0.00 C ATOM 1600 C GLY A 111 37.083 13.981 17.319 1.00 0.00 C ATOM 1601 O GLY A 111 37.272 13.104 16.475 1.00 0.00 O ATOM 0 H GLY A 111 35.751 14.910 15.278 1.00 0.00 H new ATOM 0 HA2 GLY A 111 35.950 15.749 17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.103 14.257 18.082 1.00 0.00 H new TER 1605 GLY A 111