USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 971 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 9 HIS : no HD1:sc= -6.27! C(o=-6.3!,f=-6.6!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0157 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.00188 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.247 K(o=-0.25,f=-3.3!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 31 MET CE :methyl -116:sc= -4.35! (180deg=-13.4!) USER MOD Single : A 34 TYR OH : rot -88:sc= 0.0158 USER MOD Single : A 36 GLN : amide:sc= -2.63 K(o=-2.6,f=-7.4!) USER MOD Single : A 38 THR OG1 : rot -54:sc= -0.425! USER MOD Single : A 39 CYS SG : rot 16:sc= -1.89 USER MOD Single : A 41 THR OG1 : rot -72:sc= 1.12 USER MOD Single : A 42 GLN : amide:sc= -0.873 X(o=-0.87,f=-1.3) USER MOD Single : A 44 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.9) USER MOD Single : A 45 LYS NZ :NH3+ -116:sc= -0.0109 (180deg=-1.42!) USER MOD Single : A 46 SER OG : rot -105:sc= -0.465 USER MOD Single : A 47 ASN : amide:sc= -0.46 K(o=-0.46,f=-3!) USER MOD Single : A 52 MET CE :methyl -134:sc= -0.2 (180deg=-1.21) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -5.24! K(o=-5.2!,f=-2.7) USER MOD Single : A 61 THR OG1 : rot 17:sc= 0.247 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -119:sc= -0.443 USER MOD Single : A 71 THR OG1 : rot -83:sc= 0.98 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 43:sc= 0.0414 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 111 ASN : amide:sc= -0.212! C(o=-0.21!,f=-7.1!) USER MOD Single : A 114 LYS NZ :NH3+ -163:sc= -1.88! (180deg=-2.35!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -127:sc= -0.286 (180deg=-1.04) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -156:sc=-0.00725 (180deg=-0.217) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.022 16.101 8.492 1.00 0.00 N ATOM 2 CA GLY A 1 -22.993 16.513 7.551 1.00 0.00 C ATOM 3 C GLY A 1 -23.356 16.095 6.125 1.00 0.00 C ATOM 4 O GLY A 1 -23.891 15.009 5.909 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.576 15.692 9.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.592 16.926 8.766 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.635 15.389 8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.866 17.595 7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.038 16.068 7.832 1.00 0.00 H new ATOM 8 N SER A 2 -23.050 16.980 5.188 1.00 0.00 N ATOM 9 CA SER A 2 -23.337 16.718 3.788 1.00 0.00 C ATOM 10 C SER A 2 -22.576 17.707 2.903 1.00 0.00 C ATOM 11 O SER A 2 -21.928 18.623 3.405 1.00 0.00 O ATOM 12 CB SER A 2 -24.839 16.801 3.508 1.00 0.00 C ATOM 13 OG SER A 2 -25.320 15.647 2.826 1.00 0.00 O ATOM 0 H SER A 2 -22.606 17.880 5.371 1.00 0.00 H new ATOM 0 HA SER A 2 -23.008 15.705 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.377 16.916 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.048 17.688 2.910 1.00 0.00 H new ATOM 0 HG SER A 2 -26.283 15.738 2.668 1.00 0.00 H new ATOM 19 N SER A 3 -22.682 17.489 1.600 1.00 0.00 N ATOM 20 CA SER A 3 -22.012 18.350 0.640 1.00 0.00 C ATOM 21 C SER A 3 -20.509 18.381 0.925 1.00 0.00 C ATOM 22 O SER A 3 -20.071 18.008 2.012 1.00 0.00 O ATOM 23 CB SER A 3 -22.588 19.767 0.676 1.00 0.00 C ATOM 24 OG SER A 3 -23.936 19.806 0.217 1.00 0.00 O ATOM 0 H SER A 3 -23.222 16.729 1.187 1.00 0.00 H new ATOM 0 HA SER A 3 -22.178 17.944 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.540 20.152 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.975 20.423 0.058 1.00 0.00 H new ATOM 0 HG SER A 3 -24.269 20.727 0.257 1.00 0.00 H new ATOM 30 N GLY A 4 -19.759 18.828 -0.072 1.00 0.00 N ATOM 31 CA GLY A 4 -18.314 18.912 0.057 1.00 0.00 C ATOM 32 C GLY A 4 -17.618 18.299 -1.159 1.00 0.00 C ATOM 33 O GLY A 4 -17.982 17.212 -1.605 1.00 0.00 O ATOM 0 H GLY A 4 -20.125 19.136 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.015 19.955 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.996 18.394 0.962 1.00 0.00 H new ATOM 37 N SER A 5 -16.630 19.023 -1.663 1.00 0.00 N ATOM 38 CA SER A 5 -15.879 18.565 -2.819 1.00 0.00 C ATOM 39 C SER A 5 -14.730 19.530 -3.115 1.00 0.00 C ATOM 40 O SER A 5 -14.919 20.534 -3.801 1.00 0.00 O ATOM 41 CB SER A 5 -16.785 18.427 -4.045 1.00 0.00 C ATOM 42 OG SER A 5 -16.446 17.291 -4.835 1.00 0.00 O ATOM 0 H SER A 5 -16.332 19.925 -1.291 1.00 0.00 H new ATOM 0 HA SER A 5 -15.468 17.582 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.823 18.347 -3.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.710 19.328 -4.654 1.00 0.00 H new ATOM 0 HG SER A 5 -17.048 17.237 -5.606 1.00 0.00 H new ATOM 48 N SER A 6 -13.565 19.194 -2.582 1.00 0.00 N ATOM 49 CA SER A 6 -12.385 20.019 -2.780 1.00 0.00 C ATOM 50 C SER A 6 -11.176 19.377 -2.097 1.00 0.00 C ATOM 51 O SER A 6 -11.333 18.563 -1.188 1.00 0.00 O ATOM 52 CB SER A 6 -12.607 21.435 -2.245 1.00 0.00 C ATOM 53 OG SER A 6 -13.049 21.430 -0.890 1.00 0.00 O ATOM 0 H SER A 6 -13.413 18.361 -2.013 1.00 0.00 H new ATOM 0 HA SER A 6 -12.194 20.090 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.679 22.001 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.344 21.946 -2.865 1.00 0.00 H new ATOM 0 HG SER A 6 -13.178 22.352 -0.584 1.00 0.00 H new ATOM 59 N GLY A 7 -9.998 19.766 -2.561 1.00 0.00 N ATOM 60 CA GLY A 7 -8.764 19.239 -2.006 1.00 0.00 C ATOM 61 C GLY A 7 -7.600 19.426 -2.981 1.00 0.00 C ATOM 62 O GLY A 7 -7.690 20.221 -3.915 1.00 0.00 O ATOM 0 H GLY A 7 -9.872 20.441 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.540 19.743 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.886 18.180 -1.779 1.00 0.00 H new ATOM 66 N PRO A 8 -6.505 18.661 -2.723 1.00 0.00 N ATOM 67 CA PRO A 8 -5.325 18.735 -3.568 1.00 0.00 C ATOM 68 C PRO A 8 -5.557 18.016 -4.898 1.00 0.00 C ATOM 69 O PRO A 8 -6.698 17.755 -5.276 1.00 0.00 O ATOM 70 CB PRO A 8 -4.211 18.111 -2.742 1.00 0.00 C ATOM 71 CG PRO A 8 -4.901 17.295 -1.661 1.00 0.00 C ATOM 72 CD PRO A 8 -6.363 17.709 -1.626 1.00 0.00 C ATOM 0 HA PRO A 8 -5.071 19.757 -3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.573 17.480 -3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.572 18.878 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.811 16.229 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.432 17.470 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.021 16.850 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.623 18.164 -0.670 1.00 0.00 H new ATOM 80 N HIS A 9 -4.456 17.717 -5.573 1.00 0.00 N ATOM 81 CA HIS A 9 -4.525 17.034 -6.853 1.00 0.00 C ATOM 82 C HIS A 9 -3.122 16.927 -7.454 1.00 0.00 C ATOM 83 O HIS A 9 -2.270 17.779 -7.206 1.00 0.00 O ATOM 84 CB HIS A 9 -5.519 17.729 -7.787 1.00 0.00 C ATOM 85 CG HIS A 9 -5.248 17.496 -9.254 1.00 0.00 C ATOM 86 ND1 HIS A 9 -6.196 16.973 -10.117 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.130 17.722 -10.001 1.00 0.00 C ATOM 88 CE1 HIS A 9 -5.660 16.891 -11.326 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.379 17.355 -11.252 1.00 0.00 N ATOM 0 H HIS A 9 -3.511 17.936 -5.257 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.899 16.020 -6.709 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.525 17.381 -7.554 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.499 18.801 -7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.199 18.131 -9.636 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.151 16.522 -12.214 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.721 17.411 -12.030 1.00 0.00 H new ATOM 97 N GLY A 10 -2.926 15.874 -8.234 1.00 0.00 N ATOM 98 CA GLY A 10 -1.641 15.645 -8.872 1.00 0.00 C ATOM 99 C GLY A 10 -1.344 14.148 -8.985 1.00 0.00 C ATOM 100 O GLY A 10 -2.263 13.332 -9.040 1.00 0.00 O ATOM 0 H GLY A 10 -3.635 15.170 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.638 16.096 -9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.854 16.133 -8.298 1.00 0.00 H new ATOM 104 N THR A 11 -0.058 13.833 -9.016 1.00 0.00 N ATOM 105 CA THR A 11 0.372 12.449 -9.121 1.00 0.00 C ATOM 106 C THR A 11 0.797 11.917 -7.752 1.00 0.00 C ATOM 107 O THR A 11 1.164 12.690 -6.868 1.00 0.00 O ATOM 108 CB THR A 11 1.481 12.377 -10.173 1.00 0.00 C ATOM 109 OG1 THR A 11 0.834 12.749 -11.386 1.00 0.00 O ATOM 110 CG2 THR A 11 1.954 10.944 -10.427 1.00 0.00 C ATOM 0 H THR A 11 0.701 14.513 -8.970 1.00 0.00 H new ATOM 0 HA THR A 11 -0.445 11.804 -9.445 1.00 0.00 H new ATOM 0 HB THR A 11 2.326 12.987 -9.852 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.482 12.731 -12.121 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.741 10.949 -11.181 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.342 10.519 -9.501 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.117 10.342 -10.780 1.00 0.00 H new ATOM 118 N LEU A 12 0.733 10.600 -7.618 1.00 0.00 N ATOM 119 CA LEU A 12 1.107 9.956 -6.371 1.00 0.00 C ATOM 120 C LEU A 12 2.127 8.851 -6.658 1.00 0.00 C ATOM 121 O LEU A 12 1.972 8.092 -7.613 1.00 0.00 O ATOM 122 CB LEU A 12 -0.137 9.466 -5.627 1.00 0.00 C ATOM 123 CG LEU A 12 0.110 8.473 -4.489 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.297 9.202 -3.157 1.00 0.00 C ATOM 125 CD2 LEU A 12 -1.007 7.430 -4.419 1.00 0.00 C ATOM 0 H LEU A 12 0.428 9.962 -8.353 1.00 0.00 H new ATOM 0 HA LEU A 12 1.589 10.670 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.658 10.333 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.808 9.001 -6.349 1.00 0.00 H new ATOM 0 HG LEU A 12 1.037 7.939 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.471 8.474 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.153 9.874 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.599 9.779 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.807 6.737 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.960 7.929 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.051 6.880 -5.359 1.00 0.00 H new ATOM 137 N GLU A 13 3.146 8.797 -5.813 1.00 0.00 N ATOM 138 CA GLU A 13 4.191 7.799 -5.964 1.00 0.00 C ATOM 139 C GLU A 13 4.164 6.820 -4.788 1.00 0.00 C ATOM 140 O GLU A 13 4.548 7.173 -3.674 1.00 0.00 O ATOM 141 CB GLU A 13 5.565 8.458 -6.097 1.00 0.00 C ATOM 142 CG GLU A 13 6.482 7.636 -7.005 1.00 0.00 C ATOM 143 CD GLU A 13 7.950 7.825 -6.616 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.402 7.073 -5.726 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.587 8.716 -7.219 1.00 0.00 O ATOM 0 H GLU A 13 3.270 9.428 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 13 4.003 7.241 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.452 9.463 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.020 8.561 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.217 6.581 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.335 7.935 -8.043 1.00 0.00 H new ATOM 152 N VAL A 14 3.707 5.610 -5.077 1.00 0.00 N ATOM 153 CA VAL A 14 3.625 4.579 -4.057 1.00 0.00 C ATOM 154 C VAL A 14 4.865 3.687 -4.139 1.00 0.00 C ATOM 155 O VAL A 14 5.090 3.021 -5.148 1.00 0.00 O ATOM 156 CB VAL A 14 2.317 3.798 -4.206 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.267 2.620 -3.231 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.107 4.716 -4.020 1.00 0.00 C ATOM 0 H VAL A 14 3.390 5.321 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 14 3.610 5.026 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 14 2.280 3.396 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.327 2.082 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.100 1.947 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.338 2.991 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.190 4.137 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.137 5.161 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.130 5.505 -4.771 1.00 0.00 H new ATOM 168 N VAL A 15 5.639 3.704 -3.063 1.00 0.00 N ATOM 169 CA VAL A 15 6.851 2.905 -3.001 1.00 0.00 C ATOM 170 C VAL A 15 6.649 1.757 -2.010 1.00 0.00 C ATOM 171 O VAL A 15 6.915 1.906 -0.819 1.00 0.00 O ATOM 172 CB VAL A 15 8.046 3.794 -2.650 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.344 2.985 -2.630 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.151 4.977 -3.614 1.00 0.00 C ATOM 0 H VAL A 15 5.450 4.258 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 15 7.067 2.462 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 15 7.885 4.192 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.178 3.641 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.267 2.193 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.513 2.544 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.008 5.593 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.278 4.607 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.242 5.575 -3.556 1.00 0.00 H new ATOM 184 N LEU A 16 6.181 0.636 -2.540 1.00 0.00 N ATOM 185 CA LEU A 16 5.941 -0.537 -1.718 1.00 0.00 C ATOM 186 C LEU A 16 7.280 -1.108 -1.247 1.00 0.00 C ATOM 187 O LEU A 16 7.836 -2.001 -1.885 1.00 0.00 O ATOM 188 CB LEU A 16 5.071 -1.548 -2.467 1.00 0.00 C ATOM 189 CG LEU A 16 4.761 -2.849 -1.724 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.051 -2.567 -0.398 1.00 0.00 C ATOM 191 CD2 LEU A 16 3.964 -3.810 -2.608 1.00 0.00 C ATOM 0 H LEU A 16 5.962 0.516 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 16 5.378 -0.267 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.128 -1.066 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.566 -1.798 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 16 5.705 -3.339 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.842 -3.508 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.690 -1.948 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.115 -2.043 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.757 -4.726 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.024 -3.342 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.542 -4.048 -3.501 1.00 0.00 H new ATOM 203 N VAL A 17 7.759 -0.570 -0.136 1.00 0.00 N ATOM 204 CA VAL A 17 9.022 -1.014 0.427 1.00 0.00 C ATOM 205 C VAL A 17 8.924 -2.500 0.781 1.00 0.00 C ATOM 206 O VAL A 17 9.219 -3.360 -0.047 1.00 0.00 O ATOM 207 CB VAL A 17 9.399 -0.138 1.624 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.613 -0.709 2.360 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.651 1.306 1.188 1.00 0.00 C ATOM 0 H VAL A 17 7.295 0.170 0.390 1.00 0.00 H new ATOM 0 HA VAL A 17 9.824 -0.906 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 17 8.558 -0.136 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.860 -0.068 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.382 -1.712 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.463 -0.755 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.917 1.907 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.467 1.331 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.749 1.710 0.730 1.00 0.00 H new ATOM 219 N SER A 18 8.507 -2.755 2.013 1.00 0.00 N ATOM 220 CA SER A 18 8.365 -4.122 2.486 1.00 0.00 C ATOM 221 C SER A 18 7.359 -4.175 3.637 1.00 0.00 C ATOM 222 O SER A 18 6.756 -3.161 3.987 1.00 0.00 O ATOM 223 CB SER A 18 9.713 -4.692 2.933 1.00 0.00 C ATOM 224 OG SER A 18 10.182 -4.079 4.130 1.00 0.00 O ATOM 0 H SER A 18 8.263 -2.039 2.697 1.00 0.00 H new ATOM 0 HA SER A 18 7.997 -4.733 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.618 -5.767 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.448 -4.549 2.141 1.00 0.00 H new ATOM 0 HG SER A 18 11.044 -4.471 4.383 1.00 0.00 H new ATOM 230 N ALA A 19 7.208 -5.367 4.195 1.00 0.00 N ATOM 231 CA ALA A 19 6.285 -5.566 5.299 1.00 0.00 C ATOM 232 C ALA A 19 6.811 -6.682 6.203 1.00 0.00 C ATOM 233 O ALA A 19 7.602 -7.518 5.768 1.00 0.00 O ATOM 234 CB ALA A 19 4.890 -5.869 4.750 1.00 0.00 C ATOM 0 H ALA A 19 7.710 -6.205 3.903 1.00 0.00 H new ATOM 0 HA ALA A 19 6.208 -4.662 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.198 -6.018 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.550 -5.033 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.927 -6.772 4.141 1.00 0.00 H new ATOM 240 N LYS A 20 6.351 -6.661 7.446 1.00 0.00 N ATOM 241 CA LYS A 20 6.765 -7.661 8.415 1.00 0.00 C ATOM 242 C LYS A 20 5.644 -7.873 9.434 1.00 0.00 C ATOM 243 O LYS A 20 4.894 -6.947 9.738 1.00 0.00 O ATOM 244 CB LYS A 20 8.104 -7.273 9.046 1.00 0.00 C ATOM 245 CG LYS A 20 7.917 -6.176 10.097 1.00 0.00 C ATOM 246 CD LYS A 20 9.253 -5.804 10.744 1.00 0.00 C ATOM 247 CE LYS A 20 9.099 -5.624 12.255 1.00 0.00 C ATOM 248 NZ LYS A 20 9.269 -4.201 12.628 1.00 0.00 N ATOM 0 H LYS A 20 5.695 -5.967 7.804 1.00 0.00 H new ATOM 0 HA LYS A 20 6.935 -8.619 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.561 -8.149 9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.788 -6.927 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.475 -5.294 9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.220 -6.516 10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.989 -6.582 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.632 -4.883 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.116 -5.974 12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.837 -6.233 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.483 -4.131 13.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.052 -3.790 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.392 -3.681 12.423 1.00 0.00 H new ATOM 262 N GLY A 21 5.564 -9.098 9.932 1.00 0.00 N ATOM 263 CA GLY A 21 4.547 -9.444 10.910 1.00 0.00 C ATOM 264 C GLY A 21 5.095 -9.333 12.334 1.00 0.00 C ATOM 265 O GLY A 21 6.185 -8.803 12.544 1.00 0.00 O ATOM 0 H GLY A 21 6.187 -9.864 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.687 -8.784 10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.195 -10.460 10.730 1.00 0.00 H new ATOM 269 N LEU A 22 4.314 -9.843 13.276 1.00 0.00 N ATOM 270 CA LEU A 22 4.708 -9.808 14.674 1.00 0.00 C ATOM 271 C LEU A 22 5.625 -10.996 14.971 1.00 0.00 C ATOM 272 O LEU A 22 6.151 -11.623 14.052 1.00 0.00 O ATOM 273 CB LEU A 22 3.474 -9.743 15.576 1.00 0.00 C ATOM 274 CG LEU A 22 2.508 -8.587 15.309 1.00 0.00 C ATOM 275 CD1 LEU A 22 3.241 -7.244 15.328 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.742 -8.803 14.003 1.00 0.00 C ATOM 0 H LEU A 22 3.411 -10.282 13.098 1.00 0.00 H new ATOM 0 HA LEU A 22 5.278 -8.904 14.887 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.925 -10.679 15.475 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.808 -9.679 16.611 1.00 0.00 H new ATOM 0 HG LEU A 22 1.773 -8.564 16.113 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.531 -6.439 15.136 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.702 -7.095 16.304 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.012 -7.239 14.558 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.062 -7.967 13.837 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.447 -8.867 13.174 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.170 -9.729 14.066 1.00 0.00 H new ATOM 288 N GLU A 23 5.789 -11.270 16.257 1.00 0.00 N ATOM 289 CA GLU A 23 6.633 -12.371 16.686 1.00 0.00 C ATOM 290 C GLU A 23 5.949 -13.709 16.396 1.00 0.00 C ATOM 291 O GLU A 23 6.536 -14.587 15.766 1.00 0.00 O ATOM 292 CB GLU A 23 6.985 -12.246 18.169 1.00 0.00 C ATOM 293 CG GLU A 23 5.728 -12.309 19.039 1.00 0.00 C ATOM 294 CD GLU A 23 6.019 -11.822 20.460 1.00 0.00 C ATOM 295 OE1 GLU A 23 6.964 -11.015 20.601 1.00 0.00 O ATOM 296 OE2 GLU A 23 5.291 -12.268 21.373 1.00 0.00 O ATOM 0 H GLU A 23 5.351 -10.748 17.016 1.00 0.00 H new ATOM 0 HA GLU A 23 7.564 -12.331 16.120 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.668 -13.046 18.453 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.506 -11.305 18.345 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.943 -11.697 18.595 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.355 -13.333 19.071 1.00 0.00 H new ATOM 303 N ASP A 24 4.716 -13.822 16.869 1.00 0.00 N ATOM 304 CA ASP A 24 3.946 -15.037 16.668 1.00 0.00 C ATOM 305 C ASP A 24 2.786 -14.749 15.713 1.00 0.00 C ATOM 306 O ASP A 24 1.622 -14.883 16.086 1.00 0.00 O ATOM 307 CB ASP A 24 3.358 -15.541 17.988 1.00 0.00 C ATOM 308 CG ASP A 24 2.861 -16.987 17.964 1.00 0.00 C ATOM 309 OD1 ASP A 24 3.196 -17.687 16.984 1.00 0.00 O ATOM 310 OD2 ASP A 24 2.156 -17.361 18.927 1.00 0.00 O ATOM 0 H ASP A 24 4.232 -13.092 17.391 1.00 0.00 H new ATOM 0 HA ASP A 24 4.613 -15.795 16.258 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.116 -15.446 18.766 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.529 -14.892 18.270 1.00 0.00 H new ATOM 315 N ALA A 25 3.145 -14.358 14.499 1.00 0.00 N ATOM 316 CA ALA A 25 2.149 -14.049 13.487 1.00 0.00 C ATOM 317 C ALA A 25 2.511 -14.767 12.185 1.00 0.00 C ATOM 318 O ALA A 25 3.446 -14.367 11.492 1.00 0.00 O ATOM 319 CB ALA A 25 2.053 -12.533 13.310 1.00 0.00 C ATOM 0 H ALA A 25 4.112 -14.248 14.193 1.00 0.00 H new ATOM 0 HA ALA A 25 1.166 -14.403 13.796 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.306 -12.302 12.551 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.764 -12.074 14.255 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.021 -12.141 12.998 1.00 0.00 H new ATOM 325 N ASP A 26 1.753 -15.813 11.893 1.00 0.00 N ATOM 326 CA ASP A 26 1.983 -16.590 10.686 1.00 0.00 C ATOM 327 C ASP A 26 1.595 -15.754 9.465 1.00 0.00 C ATOM 328 O ASP A 26 0.681 -16.115 8.725 1.00 0.00 O ATOM 329 CB ASP A 26 1.131 -17.861 10.679 1.00 0.00 C ATOM 330 CG ASP A 26 1.089 -18.603 9.342 1.00 0.00 C ATOM 331 OD1 ASP A 26 2.007 -18.360 8.528 1.00 0.00 O ATOM 332 OD2 ASP A 26 0.141 -19.397 9.163 1.00 0.00 O ATOM 0 H ASP A 26 0.979 -16.141 12.471 1.00 0.00 H new ATOM 0 HA ASP A 26 3.038 -16.863 10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.511 -18.540 11.442 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.112 -17.599 10.964 1.00 0.00 H new ATOM 337 N PHE A 27 2.309 -14.651 9.291 1.00 0.00 N ATOM 338 CA PHE A 27 2.051 -13.761 8.173 1.00 0.00 C ATOM 339 C PHE A 27 3.300 -13.595 7.304 1.00 0.00 C ATOM 340 O PHE A 27 4.378 -13.290 7.813 1.00 0.00 O ATOM 341 CB PHE A 27 1.670 -12.401 8.762 1.00 0.00 C ATOM 342 CG PHE A 27 1.305 -11.349 7.713 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.382 -11.634 6.756 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.905 -10.128 7.737 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.043 -10.657 5.782 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.566 -9.151 6.764 1.00 0.00 C ATOM 347 CZ PHE A 27 0.643 -9.436 5.807 1.00 0.00 C ATOM 0 H PHE A 27 3.066 -14.354 9.906 1.00 0.00 H new ATOM 0 HA PHE A 27 1.258 -14.170 7.548 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.825 -12.533 9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.502 -12.030 9.360 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.094 -12.603 6.736 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.639 -9.902 8.496 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.690 -10.883 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.041 -8.181 6.784 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.386 -8.693 5.067 1.00 0.00 H new ATOM 357 N LEU A 28 3.113 -13.803 6.009 1.00 0.00 N ATOM 358 CA LEU A 28 4.211 -13.680 5.066 1.00 0.00 C ATOM 359 C LEU A 28 5.243 -14.775 5.345 1.00 0.00 C ATOM 360 O LEU A 28 6.392 -14.675 4.917 1.00 0.00 O ATOM 361 CB LEU A 28 4.792 -12.265 5.100 1.00 0.00 C ATOM 362 CG LEU A 28 3.984 -11.191 4.369 1.00 0.00 C ATOM 363 CD1 LEU A 28 2.510 -11.587 4.268 1.00 0.00 C ATOM 364 CD2 LEU A 28 4.166 -9.823 5.030 1.00 0.00 C ATOM 0 H LEU A 28 2.218 -14.056 5.591 1.00 0.00 H new ATOM 0 HA LEU A 28 3.855 -13.829 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.901 -11.963 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.793 -12.294 4.670 1.00 0.00 H new ATOM 0 HG LEU A 28 4.366 -11.110 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.959 -10.806 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.422 -12.524 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.098 -11.713 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.581 -9.078 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.827 -9.871 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.220 -9.544 5.006 1.00 0.00 H new ATOM 376 N ASN A 29 4.796 -15.796 6.062 1.00 0.00 N ATOM 377 CA ASN A 29 5.666 -16.908 6.404 1.00 0.00 C ATOM 378 C ASN A 29 6.174 -17.566 5.119 1.00 0.00 C ATOM 379 O ASN A 29 6.378 -16.892 4.111 1.00 0.00 O ATOM 380 CB ASN A 29 4.914 -17.968 7.212 1.00 0.00 C ATOM 381 CG ASN A 29 5.852 -18.680 8.189 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.317 -19.782 7.951 1.00 0.00 O ATOM 383 ND2 ASN A 29 6.102 -17.991 9.299 1.00 0.00 N ATOM 0 H ASN A 29 3.843 -15.876 6.415 1.00 0.00 H new ATOM 0 HA ASN A 29 6.492 -16.519 7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.098 -17.500 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.466 -18.696 6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.716 -18.381 10.014 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.680 -17.073 9.435 1.00 0.00 H new ATOM 390 N ASN A 30 6.363 -18.875 5.197 1.00 0.00 N ATOM 391 CA ASN A 30 6.843 -19.632 4.054 1.00 0.00 C ATOM 392 C ASN A 30 5.801 -19.572 2.935 1.00 0.00 C ATOM 393 O ASN A 30 5.099 -20.550 2.683 1.00 0.00 O ATOM 394 CB ASN A 30 7.062 -21.102 4.418 1.00 0.00 C ATOM 395 CG ASN A 30 8.506 -21.348 4.858 1.00 0.00 C ATOM 396 OD1 ASN A 30 9.171 -20.485 5.408 1.00 0.00 O ATOM 397 ND2 ASN A 30 8.954 -22.571 4.587 1.00 0.00 N ATOM 0 H ASN A 30 6.192 -19.431 6.035 1.00 0.00 H new ATOM 0 HA ASN A 30 7.789 -19.196 3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.380 -21.388 5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.827 -21.732 3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.906 -22.833 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.345 -23.246 4.124 1.00 0.00 H new ATOM 404 N MET A 31 5.734 -18.415 2.293 1.00 0.00 N ATOM 405 CA MET A 31 4.790 -18.215 1.207 1.00 0.00 C ATOM 406 C MET A 31 5.277 -17.124 0.251 1.00 0.00 C ATOM 407 O MET A 31 6.358 -16.568 0.437 1.00 0.00 O ATOM 408 CB MET A 31 3.428 -17.820 1.781 1.00 0.00 C ATOM 409 CG MET A 31 3.588 -16.867 2.967 1.00 0.00 C ATOM 410 SD MET A 31 1.995 -16.532 3.700 1.00 0.00 S ATOM 411 CE MET A 31 1.251 -15.565 2.397 1.00 0.00 C ATOM 0 H MET A 31 6.318 -17.606 2.504 1.00 0.00 H new ATOM 0 HA MET A 31 4.703 -19.148 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.827 -17.344 1.006 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.890 -18.713 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.254 -17.306 3.710 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.049 -15.936 2.637 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.061 -14.554 2.757 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.926 -15.525 1.542 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.310 -16.025 2.095 1.00 0.00 H new ATOM 421 N ASP A 32 4.455 -16.851 -0.752 1.00 0.00 N ATOM 422 CA ASP A 32 4.789 -15.837 -1.738 1.00 0.00 C ATOM 423 C ASP A 32 3.592 -14.903 -1.927 1.00 0.00 C ATOM 424 O ASP A 32 2.975 -14.886 -2.991 1.00 0.00 O ATOM 425 CB ASP A 32 5.113 -16.471 -3.092 1.00 0.00 C ATOM 426 CG ASP A 32 6.237 -17.508 -3.069 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.673 -17.847 -1.947 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.636 -17.938 -4.172 1.00 0.00 O ATOM 0 H ASP A 32 3.559 -17.314 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 32 5.661 -15.290 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.211 -16.944 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.384 -15.680 -3.791 1.00 0.00 H new ATOM 433 N PRO A 33 3.292 -14.128 -0.850 1.00 0.00 N ATOM 434 CA PRO A 33 2.180 -13.193 -0.887 1.00 0.00 C ATOM 435 C PRO A 33 2.529 -11.959 -1.722 1.00 0.00 C ATOM 436 O PRO A 33 3.701 -11.617 -1.871 1.00 0.00 O ATOM 437 CB PRO A 33 1.894 -12.864 0.569 1.00 0.00 C ATOM 438 CG PRO A 33 3.144 -13.258 1.338 1.00 0.00 C ATOM 439 CD PRO A 33 4.001 -14.121 0.426 1.00 0.00 C ATOM 0 HA PRO A 33 1.295 -13.610 -1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.676 -11.803 0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.024 -13.413 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.694 -12.371 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.879 -13.805 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.005 -13.709 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.111 -15.130 0.824 1.00 0.00 H new ATOM 447 N TYR A 34 1.490 -11.325 -2.245 1.00 0.00 N ATOM 448 CA TYR A 34 1.671 -10.136 -3.060 1.00 0.00 C ATOM 449 C TYR A 34 0.708 -9.027 -2.635 1.00 0.00 C ATOM 450 O TYR A 34 -0.409 -9.303 -2.199 1.00 0.00 O ATOM 451 CB TYR A 34 1.346 -10.556 -4.495 1.00 0.00 C ATOM 452 CG TYR A 34 -0.140 -10.823 -4.743 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.977 -9.787 -5.104 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.643 -12.101 -4.606 1.00 0.00 C ATOM 455 CE1 TYR A 34 -2.376 -10.039 -5.338 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.042 -12.353 -4.839 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.839 -11.309 -5.194 1.00 0.00 C ATOM 458 OH TYR A 34 -4.160 -11.547 -5.414 1.00 0.00 O ATOM 0 H TYR A 34 0.519 -11.613 -2.120 1.00 0.00 H new ATOM 0 HA TYR A 34 2.685 -9.750 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.683 -9.775 -5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.912 -11.456 -4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.583 -8.787 -5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.012 -12.912 -4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.042 -9.237 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.449 -13.348 -4.734 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.660 -11.407 -4.583 1.00 0.00 H new ATOM 468 N VAL A 35 1.175 -7.795 -2.776 1.00 0.00 N ATOM 469 CA VAL A 35 0.368 -6.642 -2.411 1.00 0.00 C ATOM 470 C VAL A 35 -0.404 -6.157 -3.640 1.00 0.00 C ATOM 471 O VAL A 35 0.082 -6.263 -4.765 1.00 0.00 O ATOM 472 CB VAL A 35 1.254 -5.558 -1.795 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.519 -4.217 -1.737 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.746 -5.974 -0.407 1.00 0.00 C ATOM 0 H VAL A 35 2.102 -7.570 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.366 -6.913 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 35 2.127 -5.435 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.171 -3.464 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.242 -3.910 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.380 -4.321 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.374 -5.185 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.890 -6.139 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.325 -6.894 -0.487 1.00 0.00 H new ATOM 484 N GLN A 36 -1.595 -5.636 -3.382 1.00 0.00 N ATOM 485 CA GLN A 36 -2.439 -5.134 -4.453 1.00 0.00 C ATOM 486 C GLN A 36 -2.886 -3.702 -4.150 1.00 0.00 C ATOM 487 O GLN A 36 -3.859 -3.491 -3.427 1.00 0.00 O ATOM 488 CB GLN A 36 -3.645 -6.049 -4.675 1.00 0.00 C ATOM 489 CG GLN A 36 -4.757 -5.318 -5.430 1.00 0.00 C ATOM 490 CD GLN A 36 -5.972 -6.225 -5.630 1.00 0.00 C ATOM 491 OE1 GLN A 36 -6.255 -7.111 -4.841 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.673 -5.956 -6.728 1.00 0.00 N ATOM 0 H GLN A 36 -1.995 -5.551 -2.448 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.857 -5.125 -5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.338 -6.931 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.022 -6.399 -3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.052 -4.426 -4.877 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.385 -4.984 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.381 -5.200 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.502 -6.506 -6.951 1.00 0.00 H new ATOM 501 N LEU A 37 -2.153 -2.755 -4.718 1.00 0.00 N ATOM 502 CA LEU A 37 -2.461 -1.349 -4.517 1.00 0.00 C ATOM 503 C LEU A 37 -3.844 -1.047 -5.099 1.00 0.00 C ATOM 504 O LEU A 37 -4.302 -1.734 -6.011 1.00 0.00 O ATOM 505 CB LEU A 37 -1.348 -0.470 -5.090 1.00 0.00 C ATOM 506 CG LEU A 37 0.045 -0.677 -4.492 1.00 0.00 C ATOM 507 CD1 LEU A 37 1.132 -0.204 -5.458 1.00 0.00 C ATOM 508 CD2 LEU A 37 0.161 -0.003 -3.124 1.00 0.00 C ATOM 0 H LEU A 37 -1.347 -2.934 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.504 -1.116 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.290 -0.645 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.629 0.574 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 37 0.194 -1.746 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.112 -0.362 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.064 -0.769 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.996 0.857 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.161 -0.166 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.018 1.067 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.577 -0.429 -2.445 1.00 0.00 H new ATOM 520 N THR A 38 -4.471 -0.019 -4.547 1.00 0.00 N ATOM 521 CA THR A 38 -5.792 0.383 -4.999 1.00 0.00 C ATOM 522 C THR A 38 -6.039 1.859 -4.681 1.00 0.00 C ATOM 523 O THR A 38 -5.950 2.272 -3.525 1.00 0.00 O ATOM 524 CB THR A 38 -6.816 -0.556 -4.360 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.181 -1.831 -4.384 1.00 0.00 O ATOM 526 CG2 THR A 38 -8.062 -0.743 -5.229 1.00 0.00 C ATOM 0 H THR A 38 -4.088 0.548 -3.790 1.00 0.00 H new ATOM 0 HA THR A 38 -5.882 0.297 -6.082 1.00 0.00 H new ATOM 0 HB THR A 38 -7.109 -0.164 -3.386 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.901 -2.040 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.756 -1.418 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.544 0.222 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.774 -1.166 -6.192 1.00 0.00 H new ATOM 534 N CYS A 39 -6.344 2.614 -5.726 1.00 0.00 N ATOM 535 CA CYS A 39 -6.605 4.035 -5.572 1.00 0.00 C ATOM 536 C CYS A 39 -7.733 4.423 -6.529 1.00 0.00 C ATOM 537 O CYS A 39 -7.478 4.869 -7.647 1.00 0.00 O ATOM 538 CB CYS A 39 -5.344 4.870 -5.808 1.00 0.00 C ATOM 539 SG CYS A 39 -5.065 5.995 -4.392 1.00 0.00 S ATOM 0 H CYS A 39 -6.416 2.268 -6.683 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.913 4.242 -4.547 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.483 4.215 -5.938 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.447 5.447 -6.727 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.777 5.601 -3.378 1.00 0.00 H new ATOM 545 N ARG A 40 -8.957 4.238 -6.056 1.00 0.00 N ATOM 546 CA ARG A 40 -10.126 4.563 -6.856 1.00 0.00 C ATOM 547 C ARG A 40 -10.079 3.819 -8.192 1.00 0.00 C ATOM 548 O ARG A 40 -9.197 4.065 -9.014 1.00 0.00 O ATOM 549 CB ARG A 40 -10.210 6.068 -7.122 1.00 0.00 C ATOM 550 CG ARG A 40 -11.224 6.733 -6.190 1.00 0.00 C ATOM 551 CD ARG A 40 -11.042 6.252 -4.749 1.00 0.00 C ATOM 552 NE ARG A 40 -12.020 5.184 -4.445 1.00 0.00 N ATOM 553 CZ ARG A 40 -13.348 5.365 -4.422 1.00 0.00 C ATOM 554 NH1 ARG A 40 -13.863 6.574 -4.684 1.00 0.00 N ATOM 555 NH2 ARG A 40 -14.159 4.338 -4.136 1.00 0.00 N ATOM 0 H ARG A 40 -9.165 3.867 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.008 4.254 -6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.229 6.521 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.495 6.242 -8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.107 7.816 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.236 6.508 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.028 5.879 -4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.175 7.085 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.661 4.251 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.245 7.356 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.873 6.713 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.766 3.418 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.170 4.476 -4.118 1.00 0.00 H new ATOM 569 N THR A 41 -11.038 2.922 -8.367 1.00 0.00 N ATOM 570 CA THR A 41 -11.117 2.140 -9.589 1.00 0.00 C ATOM 571 C THR A 41 -9.716 1.857 -10.133 1.00 0.00 C ATOM 572 O THR A 41 -9.492 1.912 -11.342 1.00 0.00 O ATOM 573 CB THR A 41 -12.012 2.893 -10.576 1.00 0.00 C ATOM 574 OG1 THR A 41 -11.846 2.188 -11.803 1.00 0.00 O ATOM 575 CG2 THR A 41 -11.493 4.299 -10.881 1.00 0.00 C ATOM 0 H THR A 41 -11.767 2.719 -7.683 1.00 0.00 H new ATOM 0 HA THR A 41 -11.563 1.163 -9.404 1.00 0.00 H new ATOM 0 HB THR A 41 -13.022 2.959 -10.172 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.956 2.374 -12.169 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.164 4.790 -11.586 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.449 4.878 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.496 4.232 -11.316 1.00 0.00 H new ATOM 583 N GLN A 42 -8.808 1.562 -9.215 1.00 0.00 N ATOM 584 CA GLN A 42 -7.434 1.271 -9.587 1.00 0.00 C ATOM 585 C GLN A 42 -6.923 0.050 -8.819 1.00 0.00 C ATOM 586 O GLN A 42 -7.281 -0.153 -7.660 1.00 0.00 O ATOM 587 CB GLN A 42 -6.533 2.484 -9.351 1.00 0.00 C ATOM 588 CG GLN A 42 -6.613 3.464 -10.523 1.00 0.00 C ATOM 589 CD GLN A 42 -5.326 4.282 -10.643 1.00 0.00 C ATOM 590 OE1 GLN A 42 -5.222 5.398 -10.160 1.00 0.00 O ATOM 591 NE2 GLN A 42 -4.355 3.668 -11.312 1.00 0.00 N ATOM 0 H GLN A 42 -8.997 1.518 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.408 1.043 -10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.829 2.988 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.502 2.155 -9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.787 2.916 -11.449 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.462 4.133 -10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.509 2.733 -11.690 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.456 4.132 -11.447 1.00 0.00 H new ATOM 600 N ASP A 43 -6.093 -0.731 -9.496 1.00 0.00 N ATOM 601 CA ASP A 43 -5.529 -1.926 -8.892 1.00 0.00 C ATOM 602 C ASP A 43 -4.146 -2.190 -9.490 1.00 0.00 C ATOM 603 O ASP A 43 -3.997 -2.267 -10.709 1.00 0.00 O ATOM 604 CB ASP A 43 -6.406 -3.149 -9.168 1.00 0.00 C ATOM 605 CG ASP A 43 -6.711 -3.405 -10.645 1.00 0.00 C ATOM 606 OD1 ASP A 43 -5.771 -3.827 -11.354 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.876 -3.175 -11.033 1.00 0.00 O ATOM 0 H ASP A 43 -5.798 -0.559 -10.457 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.467 -1.763 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.915 -4.030 -8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.348 -3.030 -8.633 1.00 0.00 H new ATOM 612 N GLN A 44 -3.169 -2.323 -8.605 1.00 0.00 N ATOM 613 CA GLN A 44 -1.803 -2.578 -9.031 1.00 0.00 C ATOM 614 C GLN A 44 -1.113 -3.534 -8.056 1.00 0.00 C ATOM 615 O GLN A 44 -1.020 -3.250 -6.863 1.00 0.00 O ATOM 616 CB GLN A 44 -1.018 -1.272 -9.165 1.00 0.00 C ATOM 617 CG GLN A 44 -1.586 -0.404 -10.291 1.00 0.00 C ATOM 618 CD GLN A 44 -0.680 0.798 -10.566 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.530 0.741 -10.424 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.332 1.885 -10.968 1.00 0.00 N ATOM 0 H GLN A 44 -3.296 -2.259 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.831 -3.049 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.055 -0.723 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.031 -1.493 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.690 -1.000 -11.197 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.584 -0.058 -10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.347 1.864 -11.066 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.817 2.740 -11.179 1.00 0.00 H new ATOM 629 N LYS A 45 -0.648 -4.649 -8.600 1.00 0.00 N ATOM 630 CA LYS A 45 0.031 -5.649 -7.794 1.00 0.00 C ATOM 631 C LYS A 45 1.537 -5.566 -8.047 1.00 0.00 C ATOM 632 O LYS A 45 1.969 -5.058 -9.081 1.00 0.00 O ATOM 633 CB LYS A 45 -0.561 -7.036 -8.051 1.00 0.00 C ATOM 634 CG LYS A 45 -1.924 -7.185 -7.372 1.00 0.00 C ATOM 635 CD LYS A 45 -2.789 -8.217 -8.100 1.00 0.00 C ATOM 636 CE LYS A 45 -3.289 -7.667 -9.438 1.00 0.00 C ATOM 637 NZ LYS A 45 -4.457 -6.782 -9.230 1.00 0.00 N ATOM 0 H LYS A 45 -0.728 -4.882 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.125 -5.453 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.666 -7.198 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.120 -7.801 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.786 -7.488 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.435 -6.222 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.212 -9.126 -8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.639 -8.491 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.490 -7.114 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.562 -8.491 -10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.293 -7.198 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.636 -6.677 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.263 -5.848 -9.645 1.00 0.00 H new ATOM 651 N SER A 46 2.296 -6.074 -7.087 1.00 0.00 N ATOM 652 CA SER A 46 3.745 -6.063 -7.194 1.00 0.00 C ATOM 653 C SER A 46 4.265 -7.488 -7.396 1.00 0.00 C ATOM 654 O SER A 46 3.516 -8.453 -7.250 1.00 0.00 O ATOM 655 CB SER A 46 4.384 -5.436 -5.953 1.00 0.00 C ATOM 656 OG SER A 46 5.659 -4.867 -6.239 1.00 0.00 O ATOM 0 H SER A 46 1.935 -6.496 -6.231 1.00 0.00 H new ATOM 0 HA SER A 46 4.020 -5.456 -8.057 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.724 -4.665 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.491 -6.195 -5.178 1.00 0.00 H new ATOM 0 HG SER A 46 6.364 -5.447 -5.882 1.00 0.00 H new ATOM 662 N ASN A 47 5.545 -7.575 -7.728 1.00 0.00 N ATOM 663 CA ASN A 47 6.173 -8.866 -7.951 1.00 0.00 C ATOM 664 C ASN A 47 5.833 -9.802 -6.790 1.00 0.00 C ATOM 665 O ASN A 47 5.679 -9.356 -5.654 1.00 0.00 O ATOM 666 CB ASN A 47 7.696 -8.732 -8.021 1.00 0.00 C ATOM 667 CG ASN A 47 8.109 -7.720 -9.091 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.000 -6.517 -8.920 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.589 -8.273 -10.202 1.00 0.00 N ATOM 0 H ASN A 47 6.164 -6.773 -7.848 1.00 0.00 H new ATOM 0 HA ASN A 47 5.802 -9.263 -8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.082 -8.419 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.140 -9.702 -8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.893 -7.682 -10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.653 -9.288 -10.280 1.00 0.00 H new ATOM 676 N VAL A 48 5.727 -11.082 -7.115 1.00 0.00 N ATOM 677 CA VAL A 48 5.408 -12.085 -6.112 1.00 0.00 C ATOM 678 C VAL A 48 6.616 -12.284 -5.194 1.00 0.00 C ATOM 679 O VAL A 48 7.704 -12.622 -5.659 1.00 0.00 O ATOM 680 CB VAL A 48 4.954 -13.378 -6.792 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.004 -14.556 -5.817 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.554 -13.221 -7.390 1.00 0.00 C ATOM 0 H VAL A 48 5.856 -11.448 -8.058 1.00 0.00 H new ATOM 0 HA VAL A 48 4.578 -11.752 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 48 5.645 -13.588 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.676 -15.463 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.025 -14.689 -5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.346 -14.356 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.255 -14.154 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.846 -12.975 -6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.562 -12.421 -8.131 1.00 0.00 H new ATOM 692 N ALA A 49 6.384 -12.066 -3.908 1.00 0.00 N ATOM 693 CA ALA A 49 7.439 -12.218 -2.921 1.00 0.00 C ATOM 694 C ALA A 49 7.894 -13.679 -2.887 1.00 0.00 C ATOM 695 O ALA A 49 7.511 -14.431 -1.992 1.00 0.00 O ATOM 696 CB ALA A 49 6.939 -11.731 -1.560 1.00 0.00 C ATOM 0 H ALA A 49 5.481 -11.785 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 49 8.304 -11.610 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.731 -11.845 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.657 -10.681 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.073 -12.320 -1.259 1.00 0.00 H new ATOM 702 N GLU A 50 8.704 -14.036 -3.873 1.00 0.00 N ATOM 703 CA GLU A 50 9.215 -15.393 -3.967 1.00 0.00 C ATOM 704 C GLU A 50 10.290 -15.630 -2.904 1.00 0.00 C ATOM 705 O GLU A 50 11.298 -14.927 -2.869 1.00 0.00 O ATOM 706 CB GLU A 50 9.757 -15.679 -5.369 1.00 0.00 C ATOM 707 CG GLU A 50 8.617 -15.814 -6.380 1.00 0.00 C ATOM 708 CD GLU A 50 9.118 -15.574 -7.806 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.834 -14.568 -7.994 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.772 -16.403 -8.676 1.00 0.00 O ATOM 0 H GLU A 50 9.019 -13.409 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 50 8.392 -16.084 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.426 -14.875 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.346 -16.596 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.178 -16.809 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.829 -15.100 -6.142 1.00 0.00 H new ATOM 717 N GLY A 51 10.038 -16.624 -2.065 1.00 0.00 N ATOM 718 CA GLY A 51 10.971 -16.963 -1.004 1.00 0.00 C ATOM 719 C GLY A 51 11.621 -15.705 -0.423 1.00 0.00 C ATOM 720 O GLY A 51 12.815 -15.476 -0.610 1.00 0.00 O ATOM 0 H GLY A 51 9.201 -17.206 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.449 -17.505 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.742 -17.629 -1.392 1.00 0.00 H new ATOM 724 N MET A 52 10.806 -14.923 0.269 1.00 0.00 N ATOM 725 CA MET A 52 11.287 -13.695 0.879 1.00 0.00 C ATOM 726 C MET A 52 11.335 -13.821 2.403 1.00 0.00 C ATOM 727 O MET A 52 12.194 -13.226 3.052 1.00 0.00 O ATOM 728 CB MET A 52 10.364 -12.537 0.492 1.00 0.00 C ATOM 729 CG MET A 52 11.168 -11.349 -0.040 1.00 0.00 C ATOM 730 SD MET A 52 12.129 -11.848 -1.459 1.00 0.00 S ATOM 731 CE MET A 52 11.224 -11.018 -2.754 1.00 0.00 C ATOM 0 H MET A 52 9.816 -15.116 0.421 1.00 0.00 H new ATOM 0 HA MET A 52 12.297 -13.504 0.517 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.655 -12.870 -0.266 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.781 -12.227 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.494 -10.537 -0.314 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.827 -10.967 0.740 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.064 -11.706 -3.584 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.261 -10.684 -2.368 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.794 -10.156 -3.102 1.00 0.00 H new ATOM 741 N GLY A 53 10.402 -14.600 2.930 1.00 0.00 N ATOM 742 CA GLY A 53 10.328 -14.812 4.366 1.00 0.00 C ATOM 743 C GLY A 53 9.174 -14.017 4.978 1.00 0.00 C ATOM 744 O GLY A 53 8.338 -13.473 4.258 1.00 0.00 O ATOM 0 H GLY A 53 9.691 -15.092 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.194 -15.873 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.267 -14.512 4.830 1.00 0.00 H new ATOM 748 N THR A 54 9.165 -13.973 6.303 1.00 0.00 N ATOM 749 CA THR A 54 8.127 -13.253 7.021 1.00 0.00 C ATOM 750 C THR A 54 8.245 -11.749 6.762 1.00 0.00 C ATOM 751 O THR A 54 7.373 -10.978 7.158 1.00 0.00 O ATOM 752 CB THR A 54 8.232 -13.624 8.501 1.00 0.00 C ATOM 753 OG1 THR A 54 9.632 -13.753 8.729 1.00 0.00 O ATOM 754 CG2 THR A 54 7.676 -15.020 8.795 1.00 0.00 C ATOM 0 H THR A 54 9.860 -14.424 6.898 1.00 0.00 H new ATOM 0 HA THR A 54 7.134 -13.535 6.670 1.00 0.00 H new ATOM 0 HB THR A 54 7.697 -12.886 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.790 -13.991 9.666 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.774 -15.234 9.859 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.624 -15.059 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.233 -15.762 8.223 1.00 0.00 H new ATOM 762 N THR A 55 9.331 -11.379 6.099 1.00 0.00 N ATOM 763 CA THR A 55 9.574 -9.982 5.783 1.00 0.00 C ATOM 764 C THR A 55 9.864 -9.816 4.290 1.00 0.00 C ATOM 765 O THR A 55 11.004 -9.569 3.899 1.00 0.00 O ATOM 766 CB THR A 55 10.707 -9.484 6.681 1.00 0.00 C ATOM 767 OG1 THR A 55 11.624 -10.574 6.719 1.00 0.00 O ATOM 768 CG2 THR A 55 10.269 -9.314 8.137 1.00 0.00 C ATOM 0 H THR A 55 10.052 -12.022 5.772 1.00 0.00 H new ATOM 0 HA THR A 55 8.692 -9.373 5.981 1.00 0.00 H new ATOM 0 HB THR A 55 11.080 -8.533 6.301 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.392 -10.336 7.279 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.111 -8.959 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.456 -8.590 8.190 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.927 -10.272 8.528 1.00 0.00 H new ATOM 776 N PRO A 56 8.786 -9.961 3.474 1.00 0.00 N ATOM 777 CA PRO A 56 8.913 -9.830 2.033 1.00 0.00 C ATOM 778 C PRO A 56 9.065 -8.363 1.627 1.00 0.00 C ATOM 779 O PRO A 56 8.276 -7.516 2.042 1.00 0.00 O ATOM 780 CB PRO A 56 7.660 -10.476 1.466 1.00 0.00 C ATOM 781 CG PRO A 56 6.663 -10.529 2.613 1.00 0.00 C ATOM 782 CD PRO A 56 7.420 -10.254 3.902 1.00 0.00 C ATOM 0 HA PRO A 56 9.807 -10.318 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.265 -9.896 0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.873 -11.476 1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.875 -9.790 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.181 -11.506 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.986 -9.414 4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.390 -11.115 4.570 1.00 0.00 H new ATOM 790 N GLU A 57 10.086 -8.107 0.822 1.00 0.00 N ATOM 791 CA GLU A 57 10.351 -6.757 0.356 1.00 0.00 C ATOM 792 C GLU A 57 10.070 -6.648 -1.144 1.00 0.00 C ATOM 793 O GLU A 57 10.396 -7.556 -1.908 1.00 0.00 O ATOM 794 CB GLU A 57 11.788 -6.339 0.676 1.00 0.00 C ATOM 795 CG GLU A 57 12.059 -4.908 0.207 1.00 0.00 C ATOM 796 CD GLU A 57 12.796 -4.109 1.285 1.00 0.00 C ATOM 797 OE1 GLU A 57 13.968 -4.454 1.545 1.00 0.00 O ATOM 798 OE2 GLU A 57 12.169 -3.171 1.823 1.00 0.00 O ATOM 0 H GLU A 57 10.739 -8.812 0.481 1.00 0.00 H new ATOM 0 HA GLU A 57 9.683 -6.075 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.962 -6.413 1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.486 -7.023 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.653 -4.927 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.117 -4.416 -0.035 1.00 0.00 H new ATOM 805 N TRP A 58 9.468 -5.530 -1.522 1.00 0.00 N ATOM 806 CA TRP A 58 9.139 -5.291 -2.917 1.00 0.00 C ATOM 807 C TRP A 58 9.987 -4.116 -3.408 1.00 0.00 C ATOM 808 O TRP A 58 10.525 -4.154 -4.513 1.00 0.00 O ATOM 809 CB TRP A 58 7.637 -5.060 -3.094 1.00 0.00 C ATOM 810 CG TRP A 58 6.774 -6.267 -2.723 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.370 -7.269 -3.516 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.220 -6.561 -1.422 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.600 -8.183 -2.826 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.506 -7.738 -1.512 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.320 -5.854 -0.211 1.00 0.00 C ATOM 816 CZ2 TRP A 58 4.837 -8.313 -0.425 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.645 -6.442 0.866 1.00 0.00 C ATOM 818 CH2 TRP A 58 4.922 -7.627 0.792 1.00 0.00 C ATOM 0 H TRP A 58 9.199 -4.779 -0.886 1.00 0.00 H new ATOM 0 HA TRP A 58 9.372 -6.166 -3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.336 -4.209 -2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.441 -4.791 -4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.616 -7.351 -4.564 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.178 -9.029 -3.209 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.873 -4.931 -0.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.285 -9.236 -0.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.689 -5.940 1.821 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.428 -8.017 1.670 1.00 0.00 H new ATOM 829 N ASN A 59 10.079 -3.100 -2.562 1.00 0.00 N ATOM 830 CA ASN A 59 10.852 -1.916 -2.896 1.00 0.00 C ATOM 831 C ASN A 59 10.496 -1.463 -4.314 1.00 0.00 C ATOM 832 O ASN A 59 11.342 -0.931 -5.030 1.00 0.00 O ATOM 833 CB ASN A 59 12.353 -2.209 -2.857 1.00 0.00 C ATOM 834 CG ASN A 59 12.915 -1.998 -1.450 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.614 -1.031 -0.771 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.748 -2.956 -1.051 1.00 0.00 N ATOM 0 H ASN A 59 9.631 -3.073 -1.646 1.00 0.00 H new ATOM 0 HA ASN A 59 10.616 -1.142 -2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.535 -3.235 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.873 -1.560 -3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.177 -2.907 -0.127 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.958 -3.740 -1.669 1.00 0.00 H new ATOM 843 N GLU A 60 9.241 -1.690 -4.676 1.00 0.00 N ATOM 844 CA GLU A 60 8.763 -1.312 -5.995 1.00 0.00 C ATOM 845 C GLU A 60 8.277 0.139 -5.987 1.00 0.00 C ATOM 846 O GLU A 60 8.461 0.854 -5.004 1.00 0.00 O ATOM 847 CB GLU A 60 7.658 -2.258 -6.470 1.00 0.00 C ATOM 848 CG GLU A 60 8.237 -3.399 -7.309 1.00 0.00 C ATOM 849 CD GLU A 60 7.853 -3.245 -8.782 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.283 -2.233 -9.378 1.00 0.00 O ATOM 851 OE2 GLU A 60 7.139 -4.142 -9.279 1.00 0.00 O ATOM 0 H GLU A 60 8.541 -2.131 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 60 9.592 -1.393 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.129 -2.667 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.927 -1.703 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.323 -3.412 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.872 -4.354 -6.932 1.00 0.00 H new ATOM 858 N THR A 61 7.665 0.530 -7.096 1.00 0.00 N ATOM 859 CA THR A 61 7.151 1.882 -7.229 1.00 0.00 C ATOM 860 C THR A 61 5.928 1.900 -8.148 1.00 0.00 C ATOM 861 O THR A 61 5.982 1.395 -9.268 1.00 0.00 O ATOM 862 CB THR A 61 8.292 2.776 -7.719 1.00 0.00 C ATOM 863 OG1 THR A 61 9.056 3.038 -6.545 1.00 0.00 O ATOM 864 CG2 THR A 61 7.805 4.157 -8.162 1.00 0.00 C ATOM 0 H THR A 61 7.514 -0.066 -7.910 1.00 0.00 H new ATOM 0 HA THR A 61 6.804 2.269 -6.271 1.00 0.00 H new ATOM 0 HB THR A 61 8.804 2.289 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.816 2.393 -5.847 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.654 4.751 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.091 4.046 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.322 4.659 -7.323 1.00 0.00 H new ATOM 872 N PHE A 62 4.854 2.487 -7.641 1.00 0.00 N ATOM 873 CA PHE A 62 3.620 2.577 -8.402 1.00 0.00 C ATOM 874 C PHE A 62 3.069 4.004 -8.387 1.00 0.00 C ATOM 875 O PHE A 62 2.930 4.608 -7.324 1.00 0.00 O ATOM 876 CB PHE A 62 2.610 1.645 -7.729 1.00 0.00 C ATOM 877 CG PHE A 62 3.084 0.195 -7.609 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.905 -0.666 -8.647 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.684 -0.232 -6.466 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.345 -2.012 -8.536 1.00 0.00 C ATOM 881 CE2 PHE A 62 4.123 -1.578 -6.355 1.00 0.00 C ATOM 882 CZ PHE A 62 3.944 -2.439 -7.393 1.00 0.00 C ATOM 0 H PHE A 62 4.813 2.905 -6.712 1.00 0.00 H new ATOM 0 HA PHE A 62 3.802 2.298 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.387 2.027 -6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.679 1.666 -8.295 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.429 -0.326 -9.555 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.827 0.452 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.204 -2.696 -9.360 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.599 -1.918 -5.447 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.278 -3.463 -7.309 1.00 0.00 H new ATOM 892 N ILE A 63 2.770 4.502 -9.578 1.00 0.00 N ATOM 893 CA ILE A 63 2.237 5.846 -9.715 1.00 0.00 C ATOM 894 C ILE A 63 0.715 5.776 -9.853 1.00 0.00 C ATOM 895 O ILE A 63 0.190 4.891 -10.529 1.00 0.00 O ATOM 896 CB ILE A 63 2.926 6.581 -10.866 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.411 6.219 -10.937 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.709 8.092 -10.761 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.180 6.825 -9.762 1.00 0.00 C ATOM 0 H ILE A 63 2.887 3.998 -10.457 1.00 0.00 H new ATOM 0 HA ILE A 63 2.449 6.432 -8.821 1.00 0.00 H new ATOM 0 HB ILE A 63 2.470 6.255 -11.801 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.525 5.135 -10.931 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.832 6.578 -11.876 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.209 8.590 -11.592 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.642 8.310 -10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.121 8.454 -9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.233 6.552 -9.837 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.084 7.910 -9.785 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.772 6.445 -8.825 1.00 0.00 H new ATOM 911 N PHE A 64 0.049 6.719 -9.203 1.00 0.00 N ATOM 912 CA PHE A 64 -1.402 6.774 -9.246 1.00 0.00 C ATOM 913 C PHE A 64 -1.890 8.207 -9.470 1.00 0.00 C ATOM 914 O PHE A 64 -1.536 9.112 -8.715 1.00 0.00 O ATOM 915 CB PHE A 64 -1.909 6.282 -7.888 1.00 0.00 C ATOM 916 CG PHE A 64 -1.904 4.760 -7.737 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.834 4.009 -8.386 1.00 0.00 C ATOM 918 CD2 PHE A 64 -0.970 4.157 -6.954 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.830 2.596 -8.246 1.00 0.00 C ATOM 920 CE2 PHE A 64 -0.966 2.744 -6.814 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.896 1.993 -7.463 1.00 0.00 C ATOM 0 H PHE A 64 0.487 7.451 -8.644 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.773 6.160 -10.066 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.292 6.717 -7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.924 6.649 -7.736 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.576 4.488 -9.008 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.231 4.753 -6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.569 2.000 -8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.224 2.265 -6.192 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.893 0.918 -7.356 1.00 0.00 H new ATOM 931 N THR A 65 -2.694 8.369 -10.510 1.00 0.00 N ATOM 932 CA THR A 65 -3.234 9.676 -10.842 1.00 0.00 C ATOM 933 C THR A 65 -4.207 10.143 -9.758 1.00 0.00 C ATOM 934 O THR A 65 -5.217 9.490 -9.502 1.00 0.00 O ATOM 935 CB THR A 65 -3.869 9.586 -12.231 1.00 0.00 C ATOM 936 OG1 THR A 65 -2.775 9.762 -13.126 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.791 10.770 -12.532 1.00 0.00 C ATOM 0 H THR A 65 -2.985 7.616 -11.134 1.00 0.00 H new ATOM 0 HA THR A 65 -2.449 10.431 -10.876 1.00 0.00 H new ATOM 0 HB THR A 65 -4.433 8.657 -12.312 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.098 9.716 -14.050 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.215 10.656 -13.530 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.595 10.801 -11.797 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.220 11.697 -12.484 1.00 0.00 H new ATOM 945 N VAL A 66 -3.869 11.271 -9.150 1.00 0.00 N ATOM 946 CA VAL A 66 -4.700 11.833 -8.099 1.00 0.00 C ATOM 947 C VAL A 66 -5.430 13.065 -8.636 1.00 0.00 C ATOM 948 O VAL A 66 -4.900 13.786 -9.481 1.00 0.00 O ATOM 949 CB VAL A 66 -3.849 12.133 -6.863 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.730 12.492 -5.665 1.00 0.00 C ATOM 951 CG2 VAL A 66 -2.927 10.958 -6.533 1.00 0.00 C ATOM 0 H VAL A 66 -3.031 11.811 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.459 11.116 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.223 12.996 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.100 12.701 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.325 13.374 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.393 11.657 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.334 11.198 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.526 10.069 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.263 10.769 -7.376 1.00 0.00 H new ATOM 961 N SER A 67 -6.635 13.270 -8.125 1.00 0.00 N ATOM 962 CA SER A 67 -7.443 14.402 -8.543 1.00 0.00 C ATOM 963 C SER A 67 -8.763 14.417 -7.770 1.00 0.00 C ATOM 964 O SER A 67 -9.248 15.479 -7.382 1.00 0.00 O ATOM 965 CB SER A 67 -7.710 14.363 -10.049 1.00 0.00 C ATOM 966 OG SER A 67 -8.863 15.120 -10.407 1.00 0.00 O ATOM 0 H SER A 67 -7.071 12.670 -7.425 1.00 0.00 H new ATOM 0 HA SER A 67 -6.890 15.316 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.842 14.752 -10.581 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.842 13.329 -10.367 1.00 0.00 H new ATOM 0 HG SER A 67 -8.998 15.071 -11.376 1.00 0.00 H new ATOM 972 N GLU A 68 -9.308 13.226 -7.569 1.00 0.00 N ATOM 973 CA GLU A 68 -10.563 13.089 -6.850 1.00 0.00 C ATOM 974 C GLU A 68 -10.314 13.106 -5.340 1.00 0.00 C ATOM 975 O GLU A 68 -9.216 13.435 -4.892 1.00 0.00 O ATOM 976 CB GLU A 68 -11.299 11.814 -7.269 1.00 0.00 C ATOM 977 CG GLU A 68 -12.609 12.148 -7.985 1.00 0.00 C ATOM 978 CD GLU A 68 -12.478 11.935 -9.495 1.00 0.00 C ATOM 979 OE1 GLU A 68 -11.371 12.197 -10.011 1.00 0.00 O ATOM 980 OE2 GLU A 68 -13.489 11.514 -10.098 1.00 0.00 O ATOM 0 H GLU A 68 -8.903 12.347 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.199 13.937 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.662 11.221 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.506 11.204 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.411 11.522 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.885 13.183 -7.783 1.00 0.00 H new ATOM 987 N GLY A 69 -11.351 12.749 -4.597 1.00 0.00 N ATOM 988 CA GLY A 69 -11.258 12.719 -3.148 1.00 0.00 C ATOM 989 C GLY A 69 -10.151 11.769 -2.688 1.00 0.00 C ATOM 990 O GLY A 69 -9.725 11.818 -1.535 1.00 0.00 O ATOM 0 H GLY A 69 -12.260 12.478 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.060 13.723 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.212 12.403 -2.726 1.00 0.00 H new ATOM 994 N THR A 70 -9.716 10.927 -3.614 1.00 0.00 N ATOM 995 CA THR A 70 -8.666 9.966 -3.318 1.00 0.00 C ATOM 996 C THR A 70 -7.602 10.599 -2.419 1.00 0.00 C ATOM 997 O THR A 70 -6.711 11.296 -2.902 1.00 0.00 O ATOM 998 CB THR A 70 -8.110 9.450 -4.646 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.125 8.574 -5.130 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.893 8.542 -4.458 1.00 0.00 C ATOM 0 H THR A 70 -10.071 10.890 -4.569 1.00 0.00 H new ATOM 0 HA THR A 70 -9.055 9.115 -2.759 1.00 0.00 H new ATOM 0 HB THR A 70 -7.838 10.295 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.761 7.669 -5.219 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.538 8.203 -5.431 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.100 9.096 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.173 7.679 -3.854 1.00 0.00 H new ATOM 1008 N THR A 71 -7.731 10.334 -1.127 1.00 0.00 N ATOM 1009 CA THR A 71 -6.791 10.869 -0.156 1.00 0.00 C ATOM 1010 C THR A 71 -6.201 9.741 0.691 1.00 0.00 C ATOM 1011 O THR A 71 -5.803 9.962 1.834 1.00 0.00 O ATOM 1012 CB THR A 71 -7.519 11.933 0.669 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.772 11.332 0.982 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.891 13.163 -0.160 1.00 0.00 C ATOM 0 H THR A 71 -8.472 9.756 -0.730 1.00 0.00 H new ATOM 0 HA THR A 71 -5.941 11.343 -0.647 1.00 0.00 H new ATOM 0 HB THR A 71 -6.890 12.237 1.506 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.391 11.456 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.405 13.886 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.986 13.615 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.547 12.866 -0.978 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.162 8.556 0.099 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.626 7.393 0.786 1.00 0.00 C ATOM 1024 C GLU A 72 -5.430 6.239 -0.199 1.00 0.00 C ATOM 1025 O GLU A 72 -6.116 6.164 -1.218 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.532 6.976 1.946 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.618 6.007 1.473 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.960 6.321 2.137 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -8.980 6.360 3.386 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.936 6.516 1.380 1.00 0.00 O ATOM 0 H GLU A 72 -6.493 8.376 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.655 7.657 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.935 6.506 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.995 7.859 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.720 6.071 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.324 4.984 1.706 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.491 5.368 0.139 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.196 4.221 -0.703 1.00 0.00 C ATOM 1039 C LEU A 73 -4.572 2.938 0.041 1.00 0.00 C ATOM 1040 O LEU A 73 -4.454 2.867 1.263 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.739 4.258 -1.168 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.223 2.994 -1.858 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.852 2.829 -3.243 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.694 2.988 -1.919 1.00 0.00 C ATOM 0 H LEU A 73 -3.924 5.433 0.985 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.797 4.251 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.618 5.097 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.107 4.459 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.525 2.133 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.468 1.923 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.935 2.755 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.602 3.691 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.353 2.079 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.349 3.857 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.289 3.024 -0.908 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.017 1.955 -0.728 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.411 0.678 -0.157 1.00 0.00 C ATOM 1058 C LYS A 74 -4.394 -0.391 -0.560 1.00 0.00 C ATOM 1059 O LYS A 74 -4.285 -0.739 -1.735 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.850 0.337 -0.550 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.835 0.791 0.530 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.712 2.294 0.787 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.080 2.976 0.714 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.884 2.656 1.914 1.00 0.00 N ATOM 0 H LYS A 74 -5.113 2.017 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.406 0.729 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.096 0.818 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.944 -0.738 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.853 0.553 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.645 0.244 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.269 2.464 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.040 2.738 0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.951 4.055 0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.608 2.650 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.809 3.127 1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.023 1.627 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.386 2.989 2.764 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.674 -0.884 0.437 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.669 -1.907 0.201 1.00 0.00 C ATOM 1080 C ALA A 75 -3.135 -3.225 0.821 1.00 0.00 C ATOM 1081 O ALA A 75 -3.110 -3.385 2.041 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.325 -1.441 0.763 1.00 0.00 C ATOM 0 H ALA A 75 -3.767 -0.594 1.410 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.535 -2.075 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.571 -2.208 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.025 -0.517 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.420 -1.266 1.835 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.549 -4.137 -0.047 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.019 -5.437 0.401 1.00 0.00 C ATOM 1090 C LYS A 76 -2.986 -6.503 0.031 1.00 0.00 C ATOM 1091 O LYS A 76 -2.450 -6.497 -1.076 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.418 -5.719 -0.151 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.496 -5.330 0.863 1.00 0.00 C ATOM 1094 CD LYS A 76 -7.877 -5.803 0.404 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.934 -5.528 1.475 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.746 -4.346 1.111 1.00 0.00 N ATOM 0 H LYS A 76 -3.569 -4.001 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.120 -5.453 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.567 -5.163 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.510 -6.777 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.262 -5.767 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.503 -4.248 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.150 -5.295 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.846 -6.870 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.580 -6.399 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.450 -5.362 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.458 -4.174 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.128 -3.514 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.223 -4.519 0.203 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.737 -7.394 0.980 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.778 -8.464 0.768 1.00 0.00 C ATOM 1112 C ILE A 77 -2.528 -9.774 0.520 1.00 0.00 C ATOM 1113 O ILE A 77 -3.468 -10.102 1.243 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.788 -8.535 1.933 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.078 -7.194 2.130 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.203 -9.685 1.742 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -0.829 -6.319 3.136 1.00 0.00 C ATOM 0 H ILE A 77 -3.183 -7.396 1.897 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.178 -8.266 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.348 -8.741 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.940 -7.365 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.003 -6.674 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.895 -9.713 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.340 -10.628 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.761 -9.534 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.304 -5.372 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.839 -6.130 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.881 -6.831 4.097 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.085 -10.488 -0.505 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.703 -11.754 -0.858 1.00 0.00 C ATOM 1131 C PHE A 78 -1.645 -12.836 -1.086 1.00 0.00 C ATOM 1132 O PHE A 78 -0.465 -12.622 -0.814 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.473 -11.529 -2.161 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.749 -10.700 -1.994 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.913 -11.308 -1.642 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.718 -9.356 -2.198 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -7.097 -10.540 -1.487 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.902 -8.587 -2.043 1.00 0.00 C ATOM 1139 CZ PHE A 78 -7.067 -9.195 -1.691 1.00 0.00 C ATOM 0 H PHE A 78 -1.305 -10.213 -1.102 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.357 -12.086 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.819 -11.030 -2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.734 -12.497 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.937 -12.376 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.793 -8.873 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -8.021 -11.023 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.877 -7.519 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.968 -8.610 -1.574 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.106 -13.975 -1.582 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.214 -15.090 -1.850 1.00 0.00 C ATOM 1151 C ASP A 79 -1.202 -15.379 -3.352 1.00 0.00 C ATOM 1152 O ASP A 79 -2.256 -15.467 -3.980 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.684 -16.356 -1.129 1.00 0.00 C ATOM 1154 CG ASP A 79 -1.031 -17.653 -1.610 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.214 -17.657 -1.716 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.793 -18.612 -1.861 1.00 0.00 O ATOM 0 H ASP A 79 -3.086 -14.150 -1.805 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.220 -14.819 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.489 -16.242 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.764 -16.444 -1.248 1.00 0.00 H new ATOM 1161 N LYS A 80 0.003 -15.518 -3.886 1.00 0.00 N ATOM 1162 CA LYS A 80 0.167 -15.794 -5.303 1.00 0.00 C ATOM 1163 C LYS A 80 -0.867 -16.835 -5.737 1.00 0.00 C ATOM 1164 O LYS A 80 -1.390 -16.769 -6.849 1.00 0.00 O ATOM 1165 CB LYS A 80 1.611 -16.198 -5.606 1.00 0.00 C ATOM 1166 CG LYS A 80 1.761 -17.720 -5.629 1.00 0.00 C ATOM 1167 CD LYS A 80 3.214 -18.124 -5.889 1.00 0.00 C ATOM 1168 CE LYS A 80 3.318 -19.049 -7.103 1.00 0.00 C ATOM 1169 NZ LYS A 80 3.617 -20.434 -6.675 1.00 0.00 N ATOM 0 H LYS A 80 0.875 -15.445 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.018 -14.895 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.914 -15.785 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.276 -15.775 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.429 -18.136 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.119 -18.141 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.819 -17.232 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.619 -18.625 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.384 -19.029 -7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.100 -18.692 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.684 -21.049 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.520 -20.451 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.857 -20.777 -6.053 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.131 -17.771 -4.838 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.093 -18.825 -5.115 1.00 0.00 C ATOM 1185 C ASP A 81 -3.474 -18.393 -4.616 1.00 0.00 C ATOM 1186 O ASP A 81 -4.177 -19.171 -3.974 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.714 -20.120 -4.394 1.00 0.00 C ATOM 1188 CG ASP A 81 -1.974 -21.402 -5.189 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -1.649 -21.397 -6.396 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -2.492 -22.357 -4.571 1.00 0.00 O ATOM 0 H ASP A 81 -0.696 -17.822 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.101 -19.000 -6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.656 -20.078 -4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.269 -20.172 -3.457 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.820 -17.153 -4.930 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.103 -16.608 -4.521 1.00 0.00 C ATOM 1197 C VAL A 82 -5.473 -15.442 -5.440 1.00 0.00 C ATOM 1198 O VAL A 82 -4.597 -14.788 -6.002 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.058 -16.214 -3.043 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.341 -15.491 -2.629 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.807 -17.436 -2.157 1.00 0.00 C ATOM 0 H VAL A 82 -3.234 -16.510 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.886 -17.360 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.225 -15.524 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.283 -15.222 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.459 -14.588 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.196 -16.147 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.780 -17.128 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.608 -18.161 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.854 -17.891 -2.426 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.773 -15.218 -5.564 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.270 -14.142 -6.405 1.00 0.00 C ATOM 1213 C GLY A 83 -7.632 -12.914 -5.567 1.00 0.00 C ATOM 1214 O GLY A 83 -8.256 -13.038 -4.514 1.00 0.00 O ATOM 0 H GLY A 83 -7.497 -15.763 -5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.514 -13.873 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.147 -14.482 -6.956 1.00 0.00 H new ATOM 1218 N THR A 84 -7.225 -11.756 -6.066 1.00 0.00 N ATOM 1219 CA THR A 84 -7.499 -10.506 -5.377 1.00 0.00 C ATOM 1220 C THR A 84 -8.894 -10.538 -4.749 1.00 0.00 C ATOM 1221 O THR A 84 -9.128 -9.913 -3.715 1.00 0.00 O ATOM 1222 CB THR A 84 -7.308 -9.364 -6.376 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.999 -9.803 -7.542 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.855 -9.223 -6.834 1.00 0.00 C ATOM 0 H THR A 84 -6.708 -11.657 -6.939 1.00 0.00 H new ATOM 0 HA THR A 84 -6.808 -10.351 -4.549 1.00 0.00 H new ATOM 0 HB THR A 84 -7.638 -8.428 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.927 -9.120 -8.241 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.775 -8.398 -7.542 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.219 -9.024 -5.971 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.534 -10.147 -7.315 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.784 -11.272 -5.400 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.150 -11.394 -4.918 1.00 0.00 C ATOM 1234 C GLU A 85 -11.380 -12.782 -4.319 1.00 0.00 C ATOM 1235 O GLU A 85 -12.280 -13.505 -4.745 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.153 -11.106 -6.037 1.00 0.00 C ATOM 1237 CG GLU A 85 -12.027 -9.662 -6.528 1.00 0.00 C ATOM 1238 CD GLU A 85 -13.193 -9.292 -7.448 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -13.458 -10.087 -8.375 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -13.792 -8.223 -7.202 1.00 0.00 O ATOM 0 H GLU A 85 -9.586 -11.788 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.306 -10.652 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.984 -11.792 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.166 -11.284 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.003 -8.985 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.084 -9.536 -7.061 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.551 -13.115 -3.341 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.652 -14.404 -2.679 1.00 0.00 C ATOM 1249 C ASP A 86 -10.498 -14.211 -1.169 1.00 0.00 C ATOM 1250 O ASP A 86 -11.450 -14.405 -0.414 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.549 -15.353 -3.150 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.510 -16.705 -2.434 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -9.923 -16.735 -1.255 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.068 -17.678 -3.083 1.00 0.00 O ATOM 0 H ASP A 86 -9.805 -12.513 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.624 -14.833 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.673 -15.528 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.586 -14.861 -3.017 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.292 -13.832 -0.773 1.00 0.00 N ATOM 1260 CA ASP A 87 -9.001 -13.611 0.633 1.00 0.00 C ATOM 1261 C ASP A 87 -7.584 -13.051 0.774 1.00 0.00 C ATOM 1262 O ASP A 87 -6.609 -13.735 0.467 1.00 0.00 O ATOM 1263 CB ASP A 87 -9.073 -14.919 1.423 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.591 -14.781 2.856 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -10.831 -14.738 3.009 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -8.736 -14.722 3.765 1.00 0.00 O ATOM 0 H ASP A 87 -8.505 -13.672 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.740 -12.912 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.716 -15.616 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.078 -15.363 1.453 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.515 -11.812 1.238 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.233 -11.152 1.423 1.00 0.00 C ATOM 1273 C ALA A 88 -5.667 -11.525 2.795 1.00 0.00 C ATOM 1274 O ALA A 88 -6.389 -11.522 3.790 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.408 -9.642 1.255 1.00 0.00 C ATOM 0 H ALA A 88 -8.326 -11.247 1.491 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.518 -11.483 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.447 -9.147 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.785 -9.428 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.117 -9.273 1.997 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.379 -11.836 2.803 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.707 -12.210 4.036 1.00 0.00 C ATOM 1283 C VAL A 89 -3.793 -11.051 5.030 1.00 0.00 C ATOM 1284 O VAL A 89 -3.981 -11.267 6.226 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.268 -12.637 3.739 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.216 -14.086 3.248 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.613 -11.693 2.729 1.00 0.00 C ATOM 0 H VAL A 89 -3.783 -11.837 1.975 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.199 -13.068 4.494 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.703 -12.577 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.182 -14.364 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.625 -14.745 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.804 -14.182 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.591 -12.019 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.180 -11.706 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.600 -10.680 3.132 1.00 0.00 H new ATOM 1297 N GLY A 90 -3.653 -9.845 4.499 1.00 0.00 N ATOM 1298 CA GLY A 90 -3.713 -8.651 5.325 1.00 0.00 C ATOM 1299 C GLY A 90 -3.928 -7.402 4.468 1.00 0.00 C ATOM 1300 O GLY A 90 -3.831 -7.460 3.243 1.00 0.00 O ATOM 0 H GLY A 90 -3.498 -9.669 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.524 -8.745 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.789 -8.551 5.894 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.217 -6.301 5.147 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.448 -5.040 4.463 1.00 0.00 C ATOM 1306 C GLU A 91 -4.027 -3.869 5.354 1.00 0.00 C ATOM 1307 O GLU A 91 -3.901 -4.022 6.568 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.911 -4.906 4.037 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.750 -4.271 5.148 1.00 0.00 C ATOM 1310 CD GLU A 91 -6.794 -2.749 4.999 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.552 -2.287 4.119 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -6.070 -2.082 5.769 1.00 0.00 O ATOM 0 H GLU A 91 -4.296 -6.256 6.163 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.839 -5.022 3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.976 -4.298 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.313 -5.889 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.763 -4.672 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.332 -4.533 6.120 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.820 -2.726 4.715 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.416 -1.530 5.435 1.00 0.00 C ATOM 1321 C ALA A 92 -3.942 -0.296 4.699 1.00 0.00 C ATOM 1322 O ALA A 92 -4.181 -0.343 3.493 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.893 -1.515 5.585 1.00 0.00 C ATOM 0 H ALA A 92 -3.924 -2.603 3.708 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.842 -1.522 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.589 -0.618 6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.573 -2.398 6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.430 -1.518 4.598 1.00 0.00 H new ATOM 1329 N THR A 93 -4.106 0.779 5.456 1.00 0.00 N ATOM 1330 CA THR A 93 -4.600 2.024 4.891 1.00 0.00 C ATOM 1331 C THR A 93 -3.503 3.090 4.911 1.00 0.00 C ATOM 1332 O THR A 93 -3.106 3.557 5.977 1.00 0.00 O ATOM 1333 CB THR A 93 -5.856 2.429 5.665 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.849 1.509 5.222 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.394 3.795 5.234 1.00 0.00 C ATOM 0 H THR A 93 -3.906 0.814 6.456 1.00 0.00 H new ATOM 0 HA THR A 93 -4.873 1.903 3.843 1.00 0.00 H new ATOM 0 HB THR A 93 -5.635 2.446 6.732 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.697 1.699 5.676 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.285 4.034 5.814 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.633 4.557 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.647 3.768 4.174 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.044 3.444 3.719 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.001 4.446 3.587 1.00 0.00 C ATOM 1345 C ILE A 94 -2.614 5.749 3.069 1.00 0.00 C ATOM 1346 O ILE A 94 -2.927 5.865 1.886 1.00 0.00 O ATOM 1347 CB ILE A 94 -0.857 3.918 2.718 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.300 2.610 3.282 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.233 4.977 2.543 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.474 1.463 2.284 1.00 0.00 C ATOM 0 H ILE A 94 -3.376 3.054 2.837 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.558 4.665 4.559 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.254 3.699 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.757 2.733 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.809 2.366 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.034 4.576 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.191 5.860 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.634 5.251 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.069 0.545 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.534 1.326 2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.057 1.699 1.362 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.772 6.722 4.007 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.342 8.012 3.658 1.00 0.00 C ATOM 1364 C PRO A 95 -2.334 8.868 2.889 1.00 0.00 C ATOM 1365 O PRO A 95 -1.156 8.914 3.243 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.757 8.630 4.983 1.00 0.00 C ATOM 1367 CG PRO A 95 -2.987 7.875 6.054 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.412 6.620 5.418 1.00 0.00 C ATOM 0 HA PRO A 95 -4.198 7.926 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.521 9.694 5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.832 8.538 5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.189 8.497 6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.643 7.616 6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.331 6.570 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.830 5.720 5.869 1.00 0.00 H new ATOM 1376 N LEU A 96 -2.832 9.524 1.851 1.00 0.00 N ATOM 1377 CA LEU A 96 -1.989 10.376 1.030 1.00 0.00 C ATOM 1378 C LEU A 96 -2.130 11.827 1.494 1.00 0.00 C ATOM 1379 O LEU A 96 -1.732 12.750 0.786 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.304 10.171 -0.454 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.711 8.754 -0.863 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.208 8.723 -2.310 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.566 7.766 -0.629 1.00 0.00 C ATOM 0 H LEU A 96 -3.809 9.483 1.560 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.940 10.104 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.107 10.853 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.427 10.458 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.541 8.441 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.491 7.704 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.073 9.378 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.414 9.064 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.881 6.766 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.701 8.065 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.299 7.762 0.428 1.00 0.00 H new ATOM 1395 N GLU A 97 -2.699 11.982 2.680 1.00 0.00 N ATOM 1396 CA GLU A 97 -2.899 13.305 3.247 1.00 0.00 C ATOM 1397 C GLU A 97 -1.565 13.885 3.723 1.00 0.00 C ATOM 1398 O GLU A 97 -1.357 15.096 3.671 1.00 0.00 O ATOM 1399 CB GLU A 97 -3.918 13.265 4.388 1.00 0.00 C ATOM 1400 CG GLU A 97 -4.956 14.378 4.235 1.00 0.00 C ATOM 1401 CD GLU A 97 -5.671 14.647 5.561 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -6.574 13.848 5.891 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -5.298 15.645 6.215 1.00 0.00 O ATOM 0 H GLU A 97 -3.028 11.213 3.264 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.300 13.956 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.417 12.296 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.404 13.371 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.469 15.290 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.685 14.098 3.475 1.00 0.00 H new ATOM 1410 N PRO A 98 -0.673 12.969 4.187 1.00 0.00 N ATOM 1411 CA PRO A 98 0.634 13.377 4.672 1.00 0.00 C ATOM 1412 C PRO A 98 1.561 13.742 3.510 1.00 0.00 C ATOM 1413 O PRO A 98 2.473 14.550 3.669 1.00 0.00 O ATOM 1414 CB PRO A 98 1.138 12.197 5.485 1.00 0.00 C ATOM 1415 CG PRO A 98 0.308 11.002 5.045 1.00 0.00 C ATOM 1416 CD PRO A 98 -0.885 11.527 4.263 1.00 0.00 C ATOM 0 HA PRO A 98 0.593 14.277 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.199 12.023 5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.022 12.381 6.553 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.904 10.330 4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.025 10.429 5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.934 11.081 3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.823 11.291 4.766 1.00 0.00 H new ATOM 1424 N VAL A 99 1.293 13.127 2.367 1.00 0.00 N ATOM 1425 CA VAL A 99 2.092 13.376 1.179 1.00 0.00 C ATOM 1426 C VAL A 99 1.461 14.515 0.376 1.00 0.00 C ATOM 1427 O VAL A 99 2.148 15.204 -0.377 1.00 0.00 O ATOM 1428 CB VAL A 99 2.242 12.086 0.369 1.00 0.00 C ATOM 1429 CG1 VAL A 99 3.622 11.461 0.585 1.00 0.00 C ATOM 1430 CG2 VAL A 99 1.131 11.092 0.710 1.00 0.00 C ATOM 0 H VAL A 99 0.534 12.457 2.239 1.00 0.00 H new ATOM 0 HA VAL A 99 3.099 13.690 1.455 1.00 0.00 H new ATOM 0 HB VAL A 99 2.151 12.341 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.703 10.546 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.393 12.164 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.754 11.228 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.261 10.184 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.176 10.845 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.162 11.537 0.482 1.00 0.00 H new ATOM 1440 N PHE A 100 0.159 14.679 0.563 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.572 15.723 -0.135 1.00 0.00 C ATOM 1442 C PHE A 100 -0.139 17.109 0.345 1.00 0.00 C ATOM 1443 O PHE A 100 -0.306 18.097 -0.368 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.054 15.523 0.189 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.752 14.494 -0.702 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -2.030 13.765 -1.594 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -4.096 14.309 -0.602 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.678 12.810 -2.421 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.744 13.354 -1.429 1.00 0.00 C ATOM 1450 CZ PHE A 100 -4.022 12.625 -2.321 1.00 0.00 C ATOM 0 H PHE A 100 -0.408 14.106 1.188 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.378 15.662 -1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.149 15.212 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.568 16.479 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.963 13.912 -1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.670 14.888 0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.104 12.231 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.811 13.207 -1.349 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.515 11.899 -2.950 1.00 0.00 H new ATOM 1460 N VAL A 101 0.409 17.139 1.551 1.00 0.00 N ATOM 1461 CA VAL A 101 0.867 18.388 2.135 1.00 0.00 C ATOM 1462 C VAL A 101 2.396 18.424 2.118 1.00 0.00 C ATOM 1463 O VAL A 101 2.993 19.434 1.748 1.00 0.00 O ATOM 1464 CB VAL A 101 0.281 18.556 3.538 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.171 18.075 3.587 1.00 0.00 C ATOM 1466 CG2 VAL A 101 1.135 17.830 4.579 1.00 0.00 C ATOM 0 H VAL A 101 0.546 16.318 2.140 1.00 0.00 H new ATOM 0 HA VAL A 101 0.515 19.236 1.547 1.00 0.00 H new ATOM 0 HB VAL A 101 0.290 19.619 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.564 18.205 4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.771 18.656 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.214 17.021 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.697 17.965 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.173 16.767 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.145 18.240 4.571 1.00 0.00 H new ATOM 1476 N GLU A 102 2.987 17.309 2.522 1.00 0.00 N ATOM 1477 CA GLU A 102 4.435 17.200 2.558 1.00 0.00 C ATOM 1478 C GLU A 102 4.989 17.015 1.144 1.00 0.00 C ATOM 1479 O GLU A 102 6.056 17.534 0.818 1.00 0.00 O ATOM 1480 CB GLU A 102 4.877 16.055 3.473 1.00 0.00 C ATOM 1481 CG GLU A 102 4.360 16.262 4.898 1.00 0.00 C ATOM 1482 CD GLU A 102 5.512 16.564 5.860 1.00 0.00 C ATOM 1483 OE1 GLU A 102 6.005 17.711 5.812 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.872 15.640 6.620 1.00 0.00 O ATOM 0 H GLU A 102 2.489 16.473 2.827 1.00 0.00 H new ATOM 0 HA GLU A 102 4.839 18.126 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.506 15.108 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.965 15.992 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.644 17.083 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.829 15.370 5.229 1.00 0.00 H new ATOM 1491 N GLY A 103 4.238 16.276 0.340 1.00 0.00 N ATOM 1492 CA GLY A 103 4.641 16.017 -1.032 1.00 0.00 C ATOM 1493 C GLY A 103 5.564 14.800 -1.112 1.00 0.00 C ATOM 1494 O GLY A 103 5.872 14.321 -2.202 1.00 0.00 O ATOM 0 H GLY A 103 3.353 15.849 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.758 15.849 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.151 16.892 -1.436 1.00 0.00 H new ATOM 1498 N SER A 104 5.980 14.334 0.057 1.00 0.00 N ATOM 1499 CA SER A 104 6.862 13.182 0.133 1.00 0.00 C ATOM 1500 C SER A 104 6.883 12.632 1.560 1.00 0.00 C ATOM 1501 O SER A 104 7.142 13.370 2.510 1.00 0.00 O ATOM 1502 CB SER A 104 8.279 13.542 -0.318 1.00 0.00 C ATOM 1503 OG SER A 104 8.776 14.696 0.355 1.00 0.00 O ATOM 0 H SER A 104 5.722 14.734 0.959 1.00 0.00 H new ATOM 0 HA SER A 104 6.480 12.414 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.944 12.699 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.283 13.719 -1.393 1.00 0.00 H new ATOM 0 HG SER A 104 8.552 14.641 1.308 1.00 0.00 H new ATOM 1509 N ILE A 105 6.607 11.341 1.667 1.00 0.00 N ATOM 1510 CA ILE A 105 6.592 10.684 2.963 1.00 0.00 C ATOM 1511 C ILE A 105 7.438 9.411 2.895 1.00 0.00 C ATOM 1512 O ILE A 105 7.413 8.697 1.894 1.00 0.00 O ATOM 1513 CB ILE A 105 5.153 10.441 3.424 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.355 11.747 3.441 1.00 0.00 C ATOM 1515 CG2 ILE A 105 5.123 9.734 4.780 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.525 12.476 4.775 1.00 0.00 C ATOM 0 H ILE A 105 6.392 10.732 0.878 1.00 0.00 H new ATOM 0 HA ILE A 105 7.041 11.326 3.720 1.00 0.00 H new ATOM 0 HB ILE A 105 4.672 9.778 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.686 12.390 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.300 11.535 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.089 9.574 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.631 8.773 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.628 10.351 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.948 13.401 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.170 11.839 5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.578 12.708 4.931 1.00 0.00 H new ATOM 1528 N PRO A 106 8.187 9.159 4.002 1.00 0.00 N ATOM 1529 CA PRO A 106 9.040 7.985 4.078 1.00 0.00 C ATOM 1530 C PRO A 106 8.211 6.720 4.308 1.00 0.00 C ATOM 1531 O PRO A 106 7.030 6.799 4.641 1.00 0.00 O ATOM 1532 CB PRO A 106 10.009 8.275 5.212 1.00 0.00 C ATOM 1533 CG PRO A 106 9.373 9.388 6.029 1.00 0.00 C ATOM 1534 CD PRO A 106 8.242 9.982 5.207 1.00 0.00 C ATOM 0 HA PRO A 106 9.580 7.796 3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.173 7.387 5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.982 8.580 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.994 8.999 6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 106 10.111 10.153 6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.298 9.951 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.435 11.027 4.964 1.00 0.00 H new ATOM 1542 N PRO A 107 8.881 5.552 4.117 1.00 0.00 N ATOM 1543 CA PRO A 107 8.219 4.271 4.300 1.00 0.00 C ATOM 1544 C PRO A 107 8.030 3.959 5.786 1.00 0.00 C ATOM 1545 O PRO A 107 9.002 3.733 6.505 1.00 0.00 O ATOM 1546 CB PRO A 107 9.109 3.263 3.591 1.00 0.00 C ATOM 1547 CG PRO A 107 10.463 3.938 3.438 1.00 0.00 C ATOM 1548 CD PRO A 107 10.280 5.419 3.722 1.00 0.00 C ATOM 0 HA PRO A 107 7.212 4.255 3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.194 2.343 4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.696 2.992 2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.186 3.504 4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.853 3.788 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.949 5.756 4.514 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.501 6.021 2.841 1.00 0.00 H new ATOM 1556 N THR A 108 6.772 3.957 6.202 1.00 0.00 N ATOM 1557 CA THR A 108 6.443 3.677 7.589 1.00 0.00 C ATOM 1558 C THR A 108 5.628 2.387 7.694 1.00 0.00 C ATOM 1559 O THR A 108 4.812 2.091 6.822 1.00 0.00 O ATOM 1560 CB THR A 108 5.722 4.900 8.160 1.00 0.00 C ATOM 1561 OG1 THR A 108 6.754 5.646 8.798 1.00 0.00 O ATOM 1562 CG2 THR A 108 4.766 4.537 9.299 1.00 0.00 C ATOM 0 H THR A 108 5.968 4.145 5.603 1.00 0.00 H new ATOM 0 HA THR A 108 7.341 3.505 8.182 1.00 0.00 H new ATOM 0 HB THR A 108 5.167 5.398 7.365 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.374 6.458 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.280 5.440 9.668 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.010 3.843 8.932 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.326 4.069 10.109 1.00 0.00 H new ATOM 1570 N ALA A 109 5.876 1.653 8.769 1.00 0.00 N ATOM 1571 CA ALA A 109 5.176 0.401 8.999 1.00 0.00 C ATOM 1572 C ALA A 109 3.720 0.696 9.365 1.00 0.00 C ATOM 1573 O ALA A 109 3.412 0.976 10.522 1.00 0.00 O ATOM 1574 CB ALA A 109 5.900 -0.397 10.084 1.00 0.00 C ATOM 0 H ALA A 109 6.553 1.902 9.491 1.00 0.00 H new ATOM 0 HA ALA A 109 5.172 -0.208 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.375 -1.336 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.920 -0.606 9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.922 0.181 11.008 1.00 0.00 H new ATOM 1580 N TYR A 110 2.863 0.624 8.357 1.00 0.00 N ATOM 1581 CA TYR A 110 1.447 0.881 8.558 1.00 0.00 C ATOM 1582 C TYR A 110 0.752 -0.336 9.172 1.00 0.00 C ATOM 1583 O TYR A 110 1.029 -1.472 8.790 1.00 0.00 O ATOM 1584 CB TYR A 110 0.863 1.139 7.168 1.00 0.00 C ATOM 1585 CG TYR A 110 1.235 2.502 6.580 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.774 3.659 7.176 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.030 2.575 5.455 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.124 4.941 6.623 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.380 3.858 4.902 1.00 0.00 C ATOM 1590 CZ TYR A 110 1.909 4.978 5.513 1.00 0.00 C ATOM 1591 OH TYR A 110 2.239 6.189 4.991 1.00 0.00 O ATOM 0 H TYR A 110 3.122 0.391 7.398 1.00 0.00 H new ATOM 0 HA TYR A 110 1.302 1.723 9.235 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.205 0.357 6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.223 1.062 7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.151 3.602 8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.390 1.670 4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.771 5.854 7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.002 3.929 4.022 1.00 0.00 H new ATOM 0 HH TYR A 110 2.804 6.062 4.201 1.00 0.00 H new ATOM 1601 N ASN A 111 -0.138 -0.057 10.114 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.875 -1.114 10.784 1.00 0.00 C ATOM 1603 C ASN A 111 -1.570 -1.988 9.738 1.00 0.00 C ATOM 1604 O ASN A 111 -2.369 -1.495 8.943 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.950 -0.537 11.707 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.407 0.650 12.506 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.309 1.133 12.280 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -2.233 1.090 13.450 1.00 0.00 N ATOM 0 H ASN A 111 -0.365 0.886 10.429 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.167 -1.696 11.374 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.809 -0.220 11.116 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.301 -1.310 12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.962 1.878 14.038 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.138 0.640 13.586 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.241 -3.271 9.772 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.823 -4.218 8.836 1.00 0.00 C ATOM 1617 C VAL A 112 -2.802 -5.128 9.582 1.00 0.00 C ATOM 1618 O VAL A 112 -2.392 -5.943 10.407 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.716 -4.992 8.118 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.276 -6.239 7.431 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.017 -4.097 7.117 1.00 0.00 C ATOM 0 H VAL A 112 -0.579 -3.677 10.433 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.388 -3.695 8.064 1.00 0.00 H new ATOM 0 HB VAL A 112 0.005 -5.318 8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.468 -6.771 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.732 -6.891 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.028 -5.944 6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.799 -4.671 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.690 -3.727 6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.465 -3.254 7.643 1.00 0.00 H new ATOM 1631 N VAL A 113 -4.077 -4.958 9.264 1.00 0.00 N ATOM 1632 CA VAL A 113 -5.117 -5.754 9.893 1.00 0.00 C ATOM 1633 C VAL A 113 -5.740 -6.686 8.852 1.00 0.00 C ATOM 1634 O VAL A 113 -5.428 -6.595 7.666 1.00 0.00 O ATOM 1635 CB VAL A 113 -6.142 -4.838 10.566 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.833 -4.670 12.055 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.209 -3.481 9.863 1.00 0.00 C ATOM 0 H VAL A 113 -4.413 -4.281 8.579 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.696 -6.381 10.679 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.121 -5.309 10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.576 -4.015 12.509 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.860 -5.644 12.544 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.842 -4.232 12.174 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.945 -2.849 10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.231 -3.001 9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.499 -3.624 8.822 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.611 -7.561 9.334 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.281 -8.508 8.459 1.00 0.00 C ATOM 1649 C LYS A 114 -8.618 -8.914 9.083 1.00 0.00 C ATOM 1650 O LYS A 114 -8.681 -9.863 9.864 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.363 -9.692 8.149 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.065 -10.708 7.244 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.790 -10.008 6.093 1.00 0.00 C ATOM 1654 CE LYS A 114 -6.827 -9.128 5.293 1.00 0.00 C ATOM 1655 NZ LYS A 114 -7.514 -8.541 4.121 1.00 0.00 N ATOM 0 H LYS A 114 -6.868 -7.634 10.318 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.504 -8.046 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.454 -9.335 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.060 -10.175 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.334 -11.410 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.779 -11.289 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.240 -10.752 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.603 -9.398 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.437 -8.333 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.973 -9.720 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.807 -8.194 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.104 -9.266 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.114 -7.750 4.431 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.654 -8.175 8.715 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.986 -8.446 9.229 1.00 0.00 C ATOM 1671 C ASP A 115 -11.208 -7.638 10.509 1.00 0.00 C ATOM 1672 O ASP A 115 -12.341 -7.289 10.839 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.154 -9.928 9.570 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.590 -10.450 9.493 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.360 -9.878 8.691 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.885 -11.411 10.236 1.00 0.00 O ATOM 0 H ASP A 115 -9.598 -7.389 8.067 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.707 -8.169 8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.533 -10.514 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.775 -10.099 10.577 1.00 0.00 H new ATOM 1681 N GLU A 116 -10.109 -7.363 11.196 1.00 0.00 N ATOM 1682 CA GLU A 116 -10.170 -6.603 12.433 1.00 0.00 C ATOM 1683 C GLU A 116 -8.938 -6.891 13.294 1.00 0.00 C ATOM 1684 O GLU A 116 -8.591 -6.101 14.170 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.458 -6.905 13.200 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.715 -8.412 13.268 1.00 0.00 C ATOM 1687 CD GLU A 116 -12.270 -8.812 14.636 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -13.107 -8.043 15.157 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -11.846 -9.879 15.131 1.00 0.00 O ATOM 0 H GLU A 116 -9.171 -7.653 10.919 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.176 -5.542 12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.389 -6.498 14.209 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.299 -6.411 12.714 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.419 -8.700 12.487 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.788 -8.952 13.076 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.313 -8.025 13.014 1.00 0.00 N ATOM 1697 CA GLU A 117 -7.127 -8.427 13.752 1.00 0.00 C ATOM 1698 C GLU A 117 -5.875 -7.819 13.118 1.00 0.00 C ATOM 1699 O GLU A 117 -5.842 -7.573 11.913 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.019 -9.951 13.827 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.194 -10.444 15.265 1.00 0.00 C ATOM 1702 CD GLU A 117 -6.250 -9.705 16.216 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -5.049 -9.626 15.877 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -6.751 -9.235 17.261 1.00 0.00 O ATOM 0 H GLU A 117 -8.605 -8.678 12.287 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.213 -8.051 14.771 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.777 -10.405 13.189 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.049 -10.269 13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.226 -10.294 15.582 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.999 -11.515 15.312 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.875 -7.593 13.958 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.624 -7.017 13.494 1.00 0.00 C ATOM 1713 C TYR A 118 -2.675 -8.106 12.988 1.00 0.00 C ATOM 1714 O TYR A 118 -2.110 -8.859 13.780 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.997 -6.336 14.712 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.761 -5.494 14.386 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.905 -4.268 13.767 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.504 -5.960 14.709 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.742 -3.476 13.460 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.659 -5.168 14.403 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.482 -3.965 13.793 1.00 0.00 C ATOM 1722 OH TYR A 118 1.580 -3.217 13.503 1.00 0.00 O ATOM 0 H TYR A 118 -4.906 -7.798 14.957 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.801 -6.323 12.672 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.744 -5.698 15.184 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.723 -7.099 15.441 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.889 -3.903 13.513 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.392 -6.920 15.192 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.840 -2.515 12.976 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.649 -5.521 14.652 1.00 0.00 H new ATOM 0 HH TYR A 118 2.386 -3.690 13.798 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.528 -8.154 11.672 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.657 -9.137 11.052 1.00 0.00 C ATOM 1734 C LYS A 119 -0.199 -8.728 11.266 1.00 0.00 C ATOM 1735 O LYS A 119 0.644 -9.565 11.586 1.00 0.00 O ATOM 1736 CB LYS A 119 -2.031 -9.331 9.581 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.477 -9.813 9.441 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.714 -11.080 10.266 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.496 -10.764 11.543 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.277 -11.818 12.559 1.00 0.00 N ATOM 0 H LYS A 119 -2.998 -7.528 11.018 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.787 -10.112 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.903 -8.392 9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.357 -10.055 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.159 -9.028 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.698 -10.011 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.263 -11.809 9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.758 -11.535 10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.182 -9.798 11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.559 -10.685 11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.195 -12.175 12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.735 -12.599 12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.747 -11.422 13.361 1.00 0.00 H new ATOM 1754 N GLY A 120 0.054 -7.440 11.083 1.00 0.00 N ATOM 1755 CA GLY A 120 1.396 -6.910 11.253 1.00 0.00 C ATOM 1756 C GLY A 120 1.477 -5.459 10.774 1.00 0.00 C ATOM 1757 O GLY A 120 0.545 -4.682 10.975 1.00 0.00 O ATOM 0 H GLY A 120 -0.648 -6.748 10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.683 -6.967 12.303 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.106 -7.521 10.695 1.00 0.00 H new ATOM 1761 N GLU A 121 2.600 -5.138 10.148 1.00 0.00 N ATOM 1762 CA GLU A 121 2.815 -3.794 9.639 1.00 0.00 C ATOM 1763 C GLU A 121 3.319 -3.848 8.195 1.00 0.00 C ATOM 1764 O GLU A 121 3.945 -4.826 7.789 1.00 0.00 O ATOM 1765 CB GLU A 121 3.787 -3.018 10.530 1.00 0.00 C ATOM 1766 CG GLU A 121 5.106 -3.776 10.693 1.00 0.00 C ATOM 1767 CD GLU A 121 5.741 -3.486 12.054 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.782 -2.291 12.418 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.170 -4.466 12.700 1.00 0.00 O ATOM 0 H GLU A 121 3.370 -5.785 9.982 1.00 0.00 H new ATOM 0 HA GLU A 121 1.862 -3.265 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.979 -2.036 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.336 -2.852 11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.929 -4.847 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.795 -3.490 9.898 1.00 0.00 H new ATOM 1776 N ILE A 122 3.028 -2.785 7.460 1.00 0.00 N ATOM 1777 CA ILE A 122 3.444 -2.699 6.070 1.00 0.00 C ATOM 1778 C ILE A 122 4.157 -1.365 5.838 1.00 0.00 C ATOM 1779 O ILE A 122 3.603 -0.304 6.117 1.00 0.00 O ATOM 1780 CB ILE A 122 2.252 -2.929 5.139 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.716 -3.128 3.694 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.232 -1.795 5.263 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.520 -3.259 2.748 1.00 0.00 C ATOM 0 H ILE A 122 2.509 -1.976 7.801 1.00 0.00 H new ATOM 0 HA ILE A 122 4.158 -3.488 5.836 1.00 0.00 H new ATOM 0 HB ILE A 122 1.751 -3.847 5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.336 -2.285 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.337 -4.021 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.395 -1.983 4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.869 -1.743 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.705 -0.850 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.877 -3.399 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.916 -4.117 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.915 -2.354 2.799 1.00 0.00 H new ATOM 1795 N TRP A 123 5.377 -1.464 5.330 1.00 0.00 N ATOM 1796 CA TRP A 123 6.172 -0.279 5.056 1.00 0.00 C ATOM 1797 C TRP A 123 5.807 0.223 3.658 1.00 0.00 C ATOM 1798 O TRP A 123 5.859 -0.533 2.690 1.00 0.00 O ATOM 1799 CB TRP A 123 7.665 -0.573 5.215 1.00 0.00 C ATOM 1800 CG TRP A 123 8.082 -0.925 6.645 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.724 -1.994 7.368 1.00 0.00 C ATOM 1802 CD2 TRP A 123 8.956 -0.157 7.499 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.301 -1.972 8.622 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.073 -0.820 8.704 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.624 1.057 7.262 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.853 -0.346 9.767 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.399 1.517 8.334 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.528 0.862 9.553 1.00 0.00 C ATOM 0 H TRP A 123 5.834 -2.347 5.101 1.00 0.00 H new ATOM 0 HA TRP A 123 5.952 0.509 5.776 1.00 0.00 H new ATOM 0 HB2 TRP A 123 7.934 -1.398 4.556 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.233 0.297 4.886 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.067 -2.775 7.015 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.182 -2.673 9.354 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.546 1.592 6.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.929 -0.883 10.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.934 2.446 8.204 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.146 1.283 10.332 1.00 0.00 H new ATOM 1819 N VAL A 124 5.445 1.496 3.598 1.00 0.00 N ATOM 1820 CA VAL A 124 5.072 2.109 2.334 1.00 0.00 C ATOM 1821 C VAL A 124 5.382 3.606 2.386 1.00 0.00 C ATOM 1822 O VAL A 124 5.036 4.282 3.354 1.00 0.00 O ATOM 1823 CB VAL A 124 3.603 1.813 2.024 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.274 2.141 0.566 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.255 0.360 2.351 1.00 0.00 C ATOM 0 H VAL A 124 5.402 2.120 4.404 1.00 0.00 H new ATOM 0 HA VAL A 124 5.656 1.685 1.517 1.00 0.00 H new ATOM 0 HB VAL A 124 2.991 2.454 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.224 1.922 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.465 3.198 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.899 1.537 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.205 0.177 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.879 -0.306 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.433 0.173 3.410 1.00 0.00 H new ATOM 1835 N ALA A 125 6.032 4.080 1.333 1.00 0.00 N ATOM 1836 CA ALA A 125 6.393 5.485 1.247 1.00 0.00 C ATOM 1837 C ALA A 125 5.673 6.120 0.056 1.00 0.00 C ATOM 1838 O ALA A 125 5.656 5.555 -1.037 1.00 0.00 O ATOM 1839 CB ALA A 125 7.914 5.616 1.146 1.00 0.00 C ATOM 0 H ALA A 125 6.318 3.516 0.532 1.00 0.00 H new ATOM 0 HA ALA A 125 6.079 6.018 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.185 6.670 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.377 5.176 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.266 5.096 0.255 1.00 0.00 H new ATOM 1845 N LEU A 126 5.095 7.285 0.308 1.00 0.00 N ATOM 1846 CA LEU A 126 4.375 8.003 -0.730 1.00 0.00 C ATOM 1847 C LEU A 126 5.195 9.219 -1.166 1.00 0.00 C ATOM 1848 O LEU A 126 5.984 9.752 -0.387 1.00 0.00 O ATOM 1849 CB LEU A 126 2.962 8.351 -0.259 1.00 0.00 C ATOM 1850 CG LEU A 126 2.158 7.204 0.356 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.138 7.729 1.368 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.500 6.351 -0.731 1.00 0.00 C ATOM 0 H LEU A 126 5.111 7.750 1.216 1.00 0.00 H new ATOM 0 HA LEU A 126 4.247 7.373 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.033 9.153 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.404 8.745 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 126 2.847 6.558 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.580 6.893 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.657 8.259 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.448 8.410 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.935 5.543 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.827 6.971 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.269 5.930 -1.379 1.00 0.00 H new ATOM 1864 N SER A 127 4.980 9.623 -2.409 1.00 0.00 N ATOM 1865 CA SER A 127 5.689 10.767 -2.958 1.00 0.00 C ATOM 1866 C SER A 127 4.757 11.577 -3.861 1.00 0.00 C ATOM 1867 O SER A 127 4.990 11.683 -5.064 1.00 0.00 O ATOM 1868 CB SER A 127 6.929 10.324 -3.737 1.00 0.00 C ATOM 1869 OG SER A 127 8.069 11.118 -3.421 1.00 0.00 O ATOM 0 H SER A 127 4.325 9.179 -3.052 1.00 0.00 H new ATOM 0 HA SER A 127 6.018 11.395 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.142 9.278 -3.515 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.728 10.388 -4.806 1.00 0.00 H new ATOM 0 HG SER A 127 8.840 10.803 -3.937 1.00 0.00 H new ATOM 1875 N PHE A 128 3.720 12.128 -3.245 1.00 0.00 N ATOM 1876 CA PHE A 128 2.752 12.925 -3.979 1.00 0.00 C ATOM 1877 C PHE A 128 3.438 14.070 -4.726 1.00 0.00 C ATOM 1878 O PHE A 128 4.332 14.720 -4.187 1.00 0.00 O ATOM 1879 CB PHE A 128 1.784 13.511 -2.949 1.00 0.00 C ATOM 1880 CG PHE A 128 0.726 14.440 -3.548 1.00 0.00 C ATOM 1881 CD1 PHE A 128 -0.215 13.942 -4.394 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.727 15.763 -3.234 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -1.197 14.804 -4.950 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.255 16.625 -3.790 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.197 16.128 -4.636 1.00 0.00 C ATOM 0 H PHE A 128 3.530 12.038 -2.247 1.00 0.00 H new ATOM 0 HA PHE A 128 2.239 12.304 -4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.283 12.694 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.355 14.061 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.215 12.891 -4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.474 16.158 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.944 14.409 -5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.254 17.676 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.944 16.784 -5.058 1.00 0.00 H new ATOM 1895 N LYS A 129 2.993 14.282 -5.956 1.00 0.00 N ATOM 1896 CA LYS A 129 3.553 15.338 -6.783 1.00 0.00 C ATOM 1897 C LYS A 129 2.422 16.234 -7.293 1.00 0.00 C ATOM 1898 O LYS A 129 1.781 15.920 -8.295 1.00 0.00 O ATOM 1899 CB LYS A 129 4.418 14.744 -7.897 1.00 0.00 C ATOM 1900 CG LYS A 129 5.847 14.498 -7.409 1.00 0.00 C ATOM 1901 CD LYS A 129 6.524 13.397 -8.228 1.00 0.00 C ATOM 1902 CE LYS A 129 7.978 13.759 -8.537 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.040 14.879 -9.503 1.00 0.00 N ATOM 0 H LYS A 129 2.251 13.741 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 129 4.220 15.969 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.981 13.807 -8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.433 15.421 -8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.424 15.419 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.832 14.216 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.489 12.456 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.978 13.243 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.493 14.036 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.496 12.891 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.950 14.854 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.263 14.790 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.951 15.782 -8.994 1.00 0.00 H new ATOM 1917 N PRO A 130 2.207 17.360 -6.562 1.00 0.00 N ATOM 1918 CA PRO A 130 1.165 18.303 -6.931 1.00 0.00 C ATOM 1919 C PRO A 130 1.581 19.132 -8.148 1.00 0.00 C ATOM 1920 O PRO A 130 2.749 19.490 -8.290 1.00 0.00 O ATOM 1921 CB PRO A 130 0.941 19.148 -5.687 1.00 0.00 C ATOM 1922 CG PRO A 130 2.179 18.957 -4.825 1.00 0.00 C ATOM 1923 CD PRO A 130 2.947 17.764 -5.370 1.00 0.00 C ATOM 0 HA PRO A 130 0.241 17.811 -7.235 1.00 0.00 H new ATOM 0 HB2 PRO A 130 0.804 20.198 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.043 18.832 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 130 2.800 19.852 -4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 130 1.898 18.788 -3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 130 3.975 18.033 -5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 130 2.994 16.956 -4.640 1.00 0.00 H new ATOM 1931 N SER A 131 0.602 19.412 -8.996 1.00 0.00 N ATOM 1932 CA SER A 131 0.851 20.191 -10.196 1.00 0.00 C ATOM 1933 C SER A 131 1.169 21.640 -9.823 1.00 0.00 C ATOM 1934 O SER A 131 0.431 22.554 -10.186 1.00 0.00 O ATOM 1935 CB SER A 131 -0.347 20.138 -11.146 1.00 0.00 C ATOM 1936 OG SER A 131 -0.723 18.799 -11.457 1.00 0.00 O ATOM 0 H SER A 131 -0.366 19.113 -8.875 1.00 0.00 H new ATOM 0 HA SER A 131 1.708 19.759 -10.712 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.192 20.656 -10.693 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.104 20.669 -12.066 1.00 0.00 H new ATOM 0 HG SER A 131 -1.492 18.808 -12.064 1.00 0.00 H new ATOM 1942 N GLY A 132 2.269 21.805 -9.103 1.00 0.00 N ATOM 1943 CA GLY A 132 2.694 23.127 -8.676 1.00 0.00 C ATOM 1944 C GLY A 132 1.602 23.814 -7.854 1.00 0.00 C ATOM 1945 O GLY A 132 0.426 23.475 -7.969 1.00 0.00 O ATOM 0 H GLY A 132 2.879 21.044 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 132 3.605 23.046 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 132 2.935 23.735 -9.548 1.00 0.00 H new ATOM 1949 N PRO A 133 2.043 24.794 -7.019 1.00 0.00 N ATOM 1950 CA PRO A 133 1.117 25.532 -6.177 1.00 0.00 C ATOM 1951 C PRO A 133 0.316 26.544 -6.999 1.00 0.00 C ATOM 1952 O PRO A 133 0.754 26.966 -8.068 1.00 0.00 O ATOM 1953 CB PRO A 133 1.986 26.184 -5.114 1.00 0.00 C ATOM 1954 CG PRO A 133 3.401 26.171 -5.668 1.00 0.00 C ATOM 1955 CD PRO A 133 3.428 25.223 -6.856 1.00 0.00 C ATOM 0 HA PRO A 133 0.363 24.892 -5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 133 1.656 27.203 -4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 133 1.930 25.636 -4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 133 3.701 27.174 -5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 133 4.107 25.846 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 133 3.796 25.722 -7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 133 4.086 24.374 -6.670 1.00 0.00 H new ATOM 1963 N SER A 134 -0.843 26.904 -6.468 1.00 0.00 N ATOM 1964 CA SER A 134 -1.709 27.859 -7.139 1.00 0.00 C ATOM 1965 C SER A 134 -1.326 29.285 -6.738 1.00 0.00 C ATOM 1966 O SER A 134 -1.997 29.903 -5.913 1.00 0.00 O ATOM 1967 CB SER A 134 -3.180 27.593 -6.812 1.00 0.00 C ATOM 1968 OG SER A 134 -3.905 27.132 -7.950 1.00 0.00 O ATOM 0 H SER A 134 -1.203 26.552 -5.581 1.00 0.00 H new ATOM 0 HA SER A 134 -1.577 27.743 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 134 -3.246 26.852 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.639 28.507 -6.436 1.00 0.00 H new ATOM 0 HG SER A 134 -4.839 26.972 -7.700 1.00 0.00 H new ATOM 1974 N SER A 135 -0.249 29.766 -7.340 1.00 0.00 N ATOM 1975 CA SER A 135 0.232 31.107 -7.056 1.00 0.00 C ATOM 1976 C SER A 135 0.269 31.933 -8.343 1.00 0.00 C ATOM 1977 O SER A 135 -0.387 32.969 -8.440 1.00 0.00 O ATOM 1978 CB SER A 135 1.617 31.070 -6.408 1.00 0.00 C ATOM 1979 OG SER A 135 1.891 32.255 -5.665 1.00 0.00 O ATOM 0 H SER A 135 0.305 29.251 -8.024 1.00 0.00 H new ATOM 0 HA SER A 135 -0.456 31.575 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.686 30.205 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 135 2.375 30.943 -7.181 1.00 0.00 H new ATOM 0 HG SER A 135 2.784 32.192 -5.266 1.00 0.00 H new ATOM 1985 N GLY A 136 1.044 31.444 -9.300 1.00 0.00 N ATOM 1986 CA GLY A 136 1.176 32.124 -10.578 1.00 0.00 C ATOM 1987 C GLY A 136 2.107 31.353 -11.515 1.00 0.00 C ATOM 1988 O GLY A 136 3.058 30.716 -11.066 1.00 0.00 O ATOM 0 H GLY A 136 1.587 30.585 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 136 0.195 32.230 -11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 136 1.564 33.130 -10.420 1.00 0.00 H new TER 1992 GLY A 136