USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Single : A 1 GLN : amide:sc= 1 K(o=1,f=-0.12) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= 1.17 (180deg=0.587) USER MOD Single : A -3 ALA N :NH3+ -168:sc= -0.368 (180deg=-0.576) USER MOD Single : A 12 THR OG1 : rot -26:sc= 0.609 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.58 K(o=-0.58,f=-2.3!) USER MOD Single : A 27 ASN : amide:sc= -1.91! C(o=-1.9!,f=-2.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.159 F(o=-1.5,f=-0.16) USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.25) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 5:sc= 0.427 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.253 F(o=-2!,f=0.25) USER MOD Single : A 53 MET CE :methyl -161:sc= -1.02 (180deg=-2.57!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -4:sc= -0.269 USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= -0.165 (180deg=-1.34!) USER MOD Single : A 74 MET CE :methyl 177:sc= 0 (180deg=-0.00933) USER MOD Single : A 75 SER OG : rot 20:sc= 0.0936 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= -3 (180deg=-5.83!) USER MOD Single : A 90 HEC O2A : rot -140:sc= 1.01 USER MOD Single : A 90 HEC O2D : rot 177:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 5.898 0.264 -13.819 1.00 10.00 N ATOM 2 CA ALA A -3 5.360 -0.168 -15.131 1.00 10.00 C ATOM 3 C ALA A -3 5.465 -1.684 -15.383 1.00 10.00 C ATOM 4 O ALA A -3 5.139 -2.130 -16.477 1.00 10.00 O ATOM 5 CB ALA A -3 6.046 0.626 -16.249 1.00 10.00 C ATOM 0 H1 ALA A -3 5.614 1.247 -13.634 1.00 10.00 H new ATOM 0 H2 ALA A -3 5.522 -0.352 -13.070 1.00 10.00 H new ATOM 0 H3 ALA A -3 6.936 0.200 -13.831 1.00 10.00 H new ATOM 0 HA ALA A -3 4.291 0.045 -15.122 1.00 10.00 H new ATOM 0 HB1 ALA A -3 5.652 0.310 -17.215 1.00 10.00 H new ATOM 0 HB2 ALA A -3 5.855 1.690 -16.110 1.00 10.00 H new ATOM 0 HB3 ALA A -3 7.120 0.444 -16.218 1.00 10.00 H new ATOM 13 N ASP A -2 5.899 -2.464 -14.385 1.00 10.00 N ATOM 14 CA ASP A -2 6.212 -3.874 -14.544 1.00 10.00 C ATOM 15 C ASP A -2 6.288 -4.542 -13.162 1.00 10.00 C ATOM 16 O ASP A -2 6.910 -3.993 -12.249 1.00 10.00 O ATOM 17 CB ASP A -2 7.523 -4.020 -15.323 1.00 10.00 C ATOM 18 CG ASP A -2 7.839 -5.483 -15.575 1.00 10.00 C ATOM 19 OD1 ASP A -2 6.906 -6.298 -15.416 1.00 10.00 O ATOM 20 OD2 ASP A -2 9.012 -5.777 -15.884 1.00 10.00 O ATOM 0 H ASP A -2 6.042 -2.121 -13.435 1.00 10.00 H new ATOM 0 HA ASP A -2 5.428 -4.374 -15.112 1.00 10.00 H new ATOM 0 HB2 ASP A -2 7.448 -3.490 -16.273 1.00 10.00 H new ATOM 0 HB3 ASP A -2 8.337 -3.558 -14.764 1.00 10.00 H new ATOM 25 N LEU A -1 5.599 -5.667 -12.972 1.00 10.00 N ATOM 26 CA LEU A -1 5.550 -6.398 -11.701 1.00 10.00 C ATOM 27 C LEU A -1 6.829 -7.224 -11.481 1.00 10.00 C ATOM 28 O LEU A -1 6.794 -8.424 -11.231 1.00 10.00 O ATOM 29 CB LEU A -1 4.237 -7.201 -11.630 1.00 10.00 C ATOM 30 CG LEU A -1 3.116 -6.437 -10.901 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.328 -6.551 -9.386 1.00 10.00 C ATOM 32 CD2 LEU A -1 2.940 -4.982 -11.376 1.00 10.00 C ATOM 0 H LEU A -1 5.048 -6.106 -13.710 1.00 10.00 H new ATOM 0 HA LEU A -1 5.534 -5.704 -10.861 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.909 -7.444 -12.641 1.00 10.00 H new ATOM 0 HB3 LEU A -1 4.420 -8.146 -11.118 1.00 10.00 H new ATOM 0 HG LEU A -1 2.168 -6.908 -11.161 1.00 10.00 H new ATOM 0 HD11 LEU A -1 2.536 -6.011 -8.866 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.304 -7.601 -9.093 1.00 10.00 H new ATOM 0 HD13 LEU A -1 4.294 -6.122 -9.121 1.00 10.00 H new ATOM 0 HD21 LEU A -1 2.132 -4.511 -10.815 1.00 10.00 H new ATOM 0 HD22 LEU A -1 3.866 -4.431 -11.211 1.00 10.00 H new ATOM 0 HD23 LEU A -1 2.697 -4.973 -12.439 1.00 10.00 H new ATOM 44 N GLN A 1 7.970 -6.533 -11.554 1.00 10.00 N ATOM 45 CA GLN A 1 9.312 -7.088 -11.405 1.00 10.00 C ATOM 46 C GLN A 1 10.012 -6.626 -10.115 1.00 10.00 C ATOM 47 O GLN A 1 10.949 -7.282 -9.664 1.00 10.00 O ATOM 48 CB GLN A 1 10.136 -6.714 -12.652 1.00 10.00 C ATOM 49 CG GLN A 1 10.671 -7.943 -13.403 1.00 10.00 C ATOM 50 CD GLN A 1 9.574 -8.806 -14.019 1.00 10.00 C ATOM 51 OE1 GLN A 1 9.279 -9.892 -13.537 1.00 10.00 O ATOM 52 NE2 GLN A 1 8.979 -8.360 -15.112 1.00 10.00 N ATOM 0 H GLN A 1 7.981 -5.528 -11.726 1.00 10.00 H new ATOM 0 HA GLN A 1 9.229 -8.171 -11.319 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.517 -6.123 -13.327 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.973 -6.084 -12.353 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.347 -7.611 -14.191 1.00 10.00 H new ATOM 0 HG3 GLN A 1 11.258 -8.552 -12.715 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.238 -7.453 -15.499 1.00 10.00 H new ATOM 0 HE22 GLN A 1 8.261 -8.923 -15.568 1.00 10.00 H new ATOM 61 N ASP A 2 9.582 -5.496 -9.539 1.00 10.00 N ATOM 62 CA ASP A 2 10.218 -4.871 -8.389 1.00 10.00 C ATOM 63 C ASP A 2 9.177 -4.085 -7.584 1.00 10.00 C ATOM 64 O ASP A 2 8.544 -3.161 -8.099 1.00 10.00 O ATOM 65 CB ASP A 2 11.367 -3.968 -8.862 1.00 10.00 C ATOM 66 CG ASP A 2 12.194 -3.411 -7.710 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.616 -3.237 -6.614 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.389 -3.156 -7.955 1.00 10.00 O ATOM 0 H ASP A 2 8.764 -4.986 -9.872 1.00 10.00 H new ATOM 0 HA ASP A 2 10.638 -5.636 -7.736 1.00 10.00 H new ATOM 0 HB2 ASP A 2 12.017 -4.534 -9.529 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.958 -3.141 -9.442 1.00 10.00 H new ATOM 73 N ALA A 3 9.015 -4.445 -6.312 1.00 10.00 N ATOM 74 CA ALA A 3 8.227 -3.715 -5.328 1.00 10.00 C ATOM 75 C ALA A 3 8.426 -2.200 -5.383 1.00 10.00 C ATOM 76 O ALA A 3 7.442 -1.454 -5.352 1.00 10.00 O ATOM 77 CB ALA A 3 8.612 -4.256 -3.968 1.00 10.00 C ATOM 0 H ALA A 3 9.446 -5.285 -5.927 1.00 10.00 H new ATOM 0 HA ALA A 3 7.169 -3.866 -5.542 1.00 10.00 H new ATOM 0 HB1 ALA A 3 8.044 -3.737 -3.196 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.391 -5.323 -3.925 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.678 -4.099 -3.802 1.00 10.00 H new ATOM 83 N GLU A 4 9.678 -1.744 -5.499 1.00 10.00 N ATOM 84 CA GLU A 4 9.959 -0.327 -5.658 1.00 10.00 C ATOM 85 C GLU A 4 9.211 0.229 -6.866 1.00 10.00 C ATOM 86 O GLU A 4 8.460 1.190 -6.754 1.00 10.00 O ATOM 87 CB GLU A 4 11.466 -0.070 -5.768 1.00 10.00 C ATOM 88 CG GLU A 4 11.717 1.433 -5.984 1.00 10.00 C ATOM 89 CD GLU A 4 13.147 1.852 -5.680 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.992 1.692 -6.584 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.356 2.355 -4.554 1.00 10.00 O ATOM 0 H GLU A 4 10.506 -2.340 -5.485 1.00 10.00 H new ATOM 0 HA GLU A 4 9.606 0.195 -4.769 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.970 -0.407 -4.862 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.884 -0.642 -6.597 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.482 1.689 -7.017 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.036 2.003 -5.352 1.00 10.00 H new ATOM 98 N ALA A 5 9.343 -0.428 -8.018 1.00 10.00 N ATOM 99 CA ALA A 5 8.742 0.035 -9.264 1.00 10.00 C ATOM 100 C ALA A 5 7.218 -0.090 -9.225 1.00 10.00 C ATOM 101 O ALA A 5 6.502 0.725 -9.805 1.00 10.00 O ATOM 102 CB ALA A 5 9.332 -0.743 -10.438 1.00 10.00 C ATOM 0 H ALA A 5 9.870 -1.296 -8.112 1.00 10.00 H new ATOM 0 HA ALA A 5 8.972 1.093 -9.393 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.882 -0.396 -11.368 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.410 -0.584 -10.475 1.00 10.00 H new ATOM 0 HB3 ALA A 5 9.126 -1.806 -10.310 1.00 10.00 H new ATOM 108 N ILE A 6 6.707 -1.093 -8.511 1.00 10.00 N ATOM 109 CA ILE A 6 5.276 -1.305 -8.359 1.00 10.00 C ATOM 110 C ILE A 6 4.681 -0.166 -7.534 1.00 10.00 C ATOM 111 O ILE A 6 3.759 0.496 -8.008 1.00 10.00 O ATOM 112 CB ILE A 6 5.034 -2.674 -7.704 1.00 10.00 C ATOM 113 CG1 ILE A 6 5.455 -3.779 -8.685 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.560 -2.862 -7.302 1.00 10.00 C ATOM 115 CD1 ILE A 6 5.811 -5.074 -7.955 1.00 10.00 C ATOM 0 H ILE A 6 7.280 -1.781 -8.022 1.00 10.00 H new ATOM 0 HA ILE A 6 4.783 -1.306 -9.331 1.00 10.00 H new ATOM 0 HB ILE A 6 5.630 -2.730 -6.793 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.645 -3.969 -9.390 1.00 10.00 H new ATOM 0 HG13 ILE A 6 6.312 -3.442 -9.268 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.430 -3.842 -6.843 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.275 -2.087 -6.590 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.929 -2.790 -8.188 1.00 10.00 H new ATOM 0 HD11 ILE A 6 6.104 -5.832 -8.681 1.00 10.00 H new ATOM 0 HD12 ILE A 6 6.638 -4.890 -7.269 1.00 10.00 H new ATOM 0 HD13 ILE A 6 4.945 -5.425 -7.393 1.00 10.00 H new ATOM 127 N TYR A 7 5.231 0.143 -6.354 1.00 10.00 N ATOM 128 CA TYR A 7 4.682 1.256 -5.585 1.00 10.00 C ATOM 129 C TYR A 7 4.974 2.597 -6.272 1.00 10.00 C ATOM 130 O TYR A 7 4.080 3.425 -6.417 1.00 10.00 O ATOM 131 CB TYR A 7 5.067 1.186 -4.097 1.00 10.00 C ATOM 132 CG TYR A 7 6.237 2.048 -3.684 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.066 3.435 -3.502 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.507 1.475 -3.530 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.187 4.257 -3.296 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.626 2.301 -3.346 1.00 10.00 C ATOM 137 CZ TYR A 7 8.468 3.689 -3.245 1.00 10.00 C ATOM 138 OH TYR A 7 9.564 4.482 -3.108 1.00 10.00 O ATOM 0 H TYR A 7 6.022 -0.340 -5.928 1.00 10.00 H new ATOM 0 HA TYR A 7 3.596 1.168 -5.575 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.200 1.473 -3.502 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.296 0.150 -3.848 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.076 3.865 -3.521 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.624 0.402 -3.553 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.062 5.323 -3.177 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.612 1.865 -3.282 1.00 10.00 H new ATOM 0 HH TYR A 7 10.370 3.925 -3.089 1.00 10.00 H new ATOM 148 N ASN A 8 6.188 2.769 -6.800 1.00 10.00 N ATOM 149 CA ASN A 8 6.663 3.991 -7.446 1.00 10.00 C ATOM 150 C ASN A 8 5.921 4.277 -8.765 1.00 10.00 C ATOM 151 O ASN A 8 5.907 5.413 -9.221 1.00 10.00 O ATOM 152 CB ASN A 8 8.180 3.882 -7.632 1.00 10.00 C ATOM 153 CG ASN A 8 8.856 5.161 -8.099 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.472 6.266 -7.738 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.909 5.024 -8.892 1.00 10.00 N ATOM 0 H ASN A 8 6.893 2.032 -6.788 1.00 10.00 H new ATOM 0 HA ASN A 8 6.445 4.848 -6.809 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.627 3.575 -6.687 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.388 3.093 -8.354 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.416 5.849 -9.213 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.212 4.094 -9.181 1.00 10.00 H new ATOM 162 N LYS A 9 5.305 3.266 -9.393 1.00 10.00 N ATOM 163 CA LYS A 9 4.344 3.455 -10.488 1.00 10.00 C ATOM 164 C LYS A 9 2.870 3.564 -10.034 1.00 10.00 C ATOM 165 O LYS A 9 2.051 4.101 -10.775 1.00 10.00 O ATOM 166 CB LYS A 9 4.555 2.387 -11.578 1.00 10.00 C ATOM 167 CG LYS A 9 3.667 1.132 -11.423 1.00 10.00 C ATOM 168 CD LYS A 9 2.483 1.140 -12.418 1.00 10.00 C ATOM 169 CE LYS A 9 1.142 0.907 -11.709 1.00 10.00 C ATOM 170 NZ LYS A 9 -0.014 1.101 -12.611 1.00 10.00 N ATOM 0 H LYS A 9 5.461 2.287 -9.153 1.00 10.00 H new ATOM 0 HA LYS A 9 4.555 4.433 -10.920 1.00 10.00 H new ATOM 0 HB2 LYS A 9 4.361 2.836 -12.552 1.00 10.00 H new ATOM 0 HB3 LYS A 9 5.601 2.080 -11.571 1.00 10.00 H new ATOM 0 HG2 LYS A 9 4.270 0.238 -11.583 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.285 1.081 -10.404 1.00 10.00 H new ATOM 0 HD2 LYS A 9 2.456 2.095 -12.943 1.00 10.00 H new ATOM 0 HD3 LYS A 9 2.635 0.367 -13.171 1.00 10.00 H new ATOM 0 HE2 LYS A 9 1.119 -0.105 -11.305 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.058 1.589 -10.863 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -0.826 1.451 -12.064 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 0.232 1.793 -13.347 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -0.262 0.195 -13.057 1.00 10.00 H new ATOM 184 N ALA A 10 2.494 2.957 -8.896 1.00 10.00 N ATOM 185 CA ALA A 10 1.099 2.770 -8.465 1.00 10.00 C ATOM 186 C ALA A 10 0.766 3.633 -7.250 1.00 10.00 C ATOM 187 O ALA A 10 0.042 4.623 -7.350 1.00 10.00 O ATOM 188 CB ALA A 10 0.821 1.290 -8.151 1.00 10.00 C ATOM 0 H ALA A 10 3.169 2.573 -8.234 1.00 10.00 H new ATOM 0 HA ALA A 10 0.459 3.085 -9.289 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.215 1.174 -7.834 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.997 0.689 -9.043 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.484 0.957 -7.352 1.00 10.00 H new ATOM 194 N CYS A 11 1.324 3.280 -6.093 1.00 10.00 N ATOM 195 CA CYS A 11 1.150 3.956 -4.814 1.00 10.00 C ATOM 196 C CYS A 11 1.984 5.265 -4.781 1.00 10.00 C ATOM 197 O CYS A 11 2.572 5.640 -3.769 1.00 10.00 O ATOM 198 CB CYS A 11 1.496 2.988 -3.689 1.00 10.00 C ATOM 199 SG CYS A 11 1.466 1.199 -4.084 1.00 10.00 S ATOM 0 H CYS A 11 1.942 2.472 -6.022 1.00 10.00 H new ATOM 0 HA CYS A 11 0.112 4.257 -4.675 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.493 3.237 -3.324 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.802 3.164 -2.867 1.00 10.00 H new ATOM 204 N THR A 12 2.033 5.982 -5.908 1.00 10.00 N ATOM 205 CA THR A 12 2.954 7.092 -6.166 1.00 10.00 C ATOM 206 C THR A 12 2.261 8.414 -6.431 1.00 10.00 C ATOM 207 O THR A 12 2.913 9.445 -6.584 1.00 10.00 O ATOM 208 CB THR A 12 3.854 6.752 -7.354 1.00 10.00 C ATOM 209 OG1 THR A 12 4.882 7.708 -7.424 1.00 10.00 O ATOM 210 CG2 THR A 12 3.083 6.754 -8.683 1.00 10.00 C ATOM 0 H THR A 12 1.409 5.798 -6.694 1.00 10.00 H new ATOM 0 HA THR A 12 3.538 7.219 -5.254 1.00 10.00 H new ATOM 0 HB THR A 12 4.253 5.749 -7.201 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.578 8.545 -7.015 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.763 6.507 -9.498 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.283 6.014 -8.641 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.655 7.742 -8.854 1.00 10.00 H new ATOM 218 N VAL A 13 0.940 8.367 -6.520 1.00 10.00 N ATOM 219 CA VAL A 13 0.109 9.502 -6.865 1.00 10.00 C ATOM 220 C VAL A 13 -0.353 10.170 -5.570 1.00 10.00 C ATOM 221 O VAL A 13 -0.443 11.390 -5.456 1.00 10.00 O ATOM 222 CB VAL A 13 -1.071 8.975 -7.697 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.839 10.166 -8.252 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.613 8.084 -8.862 1.00 10.00 C ATOM 0 H VAL A 13 0.406 7.515 -6.349 1.00 10.00 H new ATOM 0 HA VAL A 13 0.645 10.247 -7.453 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.698 8.365 -7.047 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.681 9.811 -8.846 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.208 10.777 -7.428 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.179 10.764 -8.880 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.483 7.737 -9.419 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.037 8.656 -9.524 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -0.067 7.226 -8.471 1.00 10.00 H new ATOM 234 N CYS A 14 -0.640 9.312 -4.592 1.00 10.00 N ATOM 235 CA CYS A 14 -1.324 9.615 -3.359 1.00 10.00 C ATOM 236 C CYS A 14 -0.343 9.507 -2.191 1.00 10.00 C ATOM 237 O CYS A 14 -0.075 10.497 -1.518 1.00 10.00 O ATOM 238 CB CYS A 14 -2.487 8.662 -3.286 1.00 10.00 C ATOM 239 SG CYS A 14 -3.492 8.849 -4.787 1.00 10.00 S ATOM 0 H CYS A 14 -0.380 8.328 -4.655 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.707 10.634 -3.311 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.129 7.636 -3.197 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.089 8.868 -2.401 1.00 10.00 H new ATOM 244 N HIS A 15 0.243 8.325 -1.983 1.00 10.00 N ATOM 245 CA HIS A 15 1.052 8.016 -0.798 1.00 10.00 C ATOM 246 C HIS A 15 2.446 8.667 -0.803 1.00 10.00 C ATOM 247 O HIS A 15 3.038 8.905 0.251 1.00 10.00 O ATOM 248 CB HIS A 15 1.191 6.496 -0.691 1.00 10.00 C ATOM 249 CG HIS A 15 -0.038 5.783 -0.203 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.109 5.120 0.993 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.152 5.460 -0.929 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.246 4.408 0.993 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.932 4.592 -0.150 1.00 10.00 N ATOM 0 H HIS A 15 0.169 7.547 -2.638 1.00 10.00 H new ATOM 0 HA HIS A 15 0.533 8.435 0.064 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.459 6.100 -1.671 1.00 10.00 H new ATOM 0 HB3 HIS A 15 2.018 6.267 -0.018 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.577 5.160 1.746 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.388 5.810 -1.923 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.568 3.771 1.803 1.00 10.00 H new ATOM 261 N SER A 16 2.976 8.950 -1.997 1.00 10.00 N ATOM 262 CA SER A 16 4.292 9.564 -2.183 1.00 10.00 C ATOM 263 C SER A 16 4.367 10.923 -1.476 1.00 10.00 C ATOM 264 O SER A 16 5.228 11.156 -0.631 1.00 10.00 O ATOM 265 CB SER A 16 4.579 9.689 -3.686 1.00 10.00 C ATOM 266 OG SER A 16 5.715 10.497 -3.917 1.00 10.00 O ATOM 0 H SER A 16 2.494 8.755 -2.875 1.00 10.00 H new ATOM 0 HA SER A 16 5.057 8.932 -1.732 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.739 8.699 -4.113 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.714 10.118 -4.191 1.00 10.00 H new ATOM 0 HG SER A 16 5.880 10.562 -4.881 1.00 10.00 H new ATOM 272 N MET A 17 3.421 11.805 -1.812 1.00 10.00 N ATOM 273 CA MET A 17 3.330 13.164 -1.288 1.00 10.00 C ATOM 274 C MET A 17 2.265 13.287 -0.177 1.00 10.00 C ATOM 275 O MET A 17 2.347 14.183 0.665 1.00 10.00 O ATOM 276 CB MET A 17 3.051 14.095 -2.477 1.00 10.00 C ATOM 277 CG MET A 17 4.229 14.153 -3.470 1.00 10.00 C ATOM 278 SD MET A 17 5.654 15.148 -2.958 1.00 10.00 S ATOM 279 CE MET A 17 6.703 14.965 -4.414 1.00 10.00 C ATOM 0 H MET A 17 2.678 11.583 -2.475 1.00 10.00 H new ATOM 0 HA MET A 17 4.267 13.448 -0.809 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.157 13.755 -2.999 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.842 15.099 -2.107 1.00 10.00 H new ATOM 0 HG2 MET A 17 4.571 13.135 -3.657 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.860 14.544 -4.418 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.630 15.519 -4.267 1.00 10.00 H new ATOM 0 HE2 MET A 17 6.932 13.910 -4.568 1.00 10.00 H new ATOM 0 HE3 MET A 17 6.182 15.355 -5.289 1.00 10.00 H new ATOM 289 N GLY A 18 1.271 12.390 -0.158 1.00 10.00 N ATOM 290 CA GLY A 18 0.121 12.432 0.748 1.00 10.00 C ATOM 291 C GLY A 18 -1.041 13.255 0.169 1.00 10.00 C ATOM 292 O GLY A 18 -1.547 14.172 0.813 1.00 10.00 O ATOM 0 H GLY A 18 1.246 11.592 -0.793 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.219 11.416 0.949 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.427 12.860 1.703 1.00 10.00 H new ATOM 296 N VAL A 19 -1.463 12.931 -1.058 1.00 10.00 N ATOM 297 CA VAL A 19 -2.548 13.595 -1.785 1.00 10.00 C ATOM 298 C VAL A 19 -3.865 12.851 -1.532 1.00 10.00 C ATOM 299 O VAL A 19 -3.870 11.687 -1.141 1.00 10.00 O ATOM 300 CB VAL A 19 -2.207 13.695 -3.287 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.290 14.413 -4.104 1.00 10.00 C ATOM 302 CG2 VAL A 19 -0.880 14.434 -3.493 1.00 10.00 C ATOM 0 H VAL A 19 -1.042 12.170 -1.591 1.00 10.00 H new ATOM 0 HA VAL A 19 -2.668 14.615 -1.421 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.136 12.667 -3.643 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -2.991 14.451 -5.151 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.232 13.872 -4.015 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.418 15.428 -3.727 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.658 14.493 -4.559 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -0.956 15.440 -3.081 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.080 13.894 -2.986 1.00 10.00 H new ATOM 312 N ALA A 20 -4.995 13.544 -1.686 1.00 10.00 N ATOM 313 CA ALA A 20 -6.334 13.012 -1.411 1.00 10.00 C ATOM 314 C ALA A 20 -6.501 12.515 0.036 1.00 10.00 C ATOM 315 O ALA A 20 -7.319 11.642 0.314 1.00 10.00 O ATOM 316 CB ALA A 20 -6.678 11.920 -2.428 1.00 10.00 C ATOM 0 H ALA A 20 -5.007 14.510 -2.012 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.042 13.834 -1.519 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.674 11.529 -2.219 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.657 12.340 -3.434 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.949 11.113 -2.356 1.00 10.00 H new ATOM 322 N GLY A 21 -5.697 13.059 0.954 1.00 10.00 N ATOM 323 CA GLY A 21 -5.652 12.633 2.351 1.00 10.00 C ATOM 324 C GLY A 21 -4.922 11.298 2.553 1.00 10.00 C ATOM 325 O GLY A 21 -4.985 10.721 3.635 1.00 10.00 O ATOM 0 H GLY A 21 -5.050 13.819 0.742 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.158 13.403 2.943 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.670 12.544 2.730 1.00 10.00 H new ATOM 329 N ALA A 22 -4.212 10.803 1.533 1.00 10.00 N ATOM 330 CA ALA A 22 -3.445 9.569 1.631 1.00 10.00 C ATOM 331 C ALA A 22 -2.343 9.658 2.705 1.00 10.00 C ATOM 332 O ALA A 22 -1.840 10.746 3.000 1.00 10.00 O ATOM 333 CB ALA A 22 -2.887 9.230 0.248 1.00 10.00 C ATOM 0 H ALA A 22 -4.157 11.251 0.618 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.099 8.760 1.956 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.309 8.307 0.305 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.710 9.100 -0.455 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.243 10.041 -0.093 1.00 10.00 H new ATOM 339 N PRO A 23 -1.960 8.518 3.296 1.00 10.00 N ATOM 340 CA PRO A 23 -0.974 8.453 4.363 1.00 10.00 C ATOM 341 C PRO A 23 0.444 8.618 3.797 1.00 10.00 C ATOM 342 O PRO A 23 0.654 8.565 2.588 1.00 10.00 O ATOM 343 CB PRO A 23 -1.185 7.082 4.984 1.00 10.00 C ATOM 344 CG PRO A 23 -1.719 6.211 3.847 1.00 10.00 C ATOM 345 CD PRO A 23 -2.373 7.186 2.882 1.00 10.00 C ATOM 0 HA PRO A 23 -1.087 9.249 5.099 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.253 6.682 5.383 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -1.893 7.128 5.812 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -0.915 5.656 3.364 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.437 5.478 4.215 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.062 6.985 1.857 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.458 7.090 2.910 1.00 10.00 H new ATOM 353 N LYS A 24 1.436 8.795 4.673 1.00 10.00 N ATOM 354 CA LYS A 24 2.825 8.984 4.254 1.00 10.00 C ATOM 355 C LYS A 24 3.501 7.662 3.854 1.00 10.00 C ATOM 356 O LYS A 24 3.279 6.622 4.482 1.00 10.00 O ATOM 357 CB LYS A 24 3.629 9.618 5.397 1.00 10.00 C ATOM 358 CG LYS A 24 3.116 10.987 5.866 1.00 10.00 C ATOM 359 CD LYS A 24 3.510 12.114 4.899 1.00 10.00 C ATOM 360 CE LYS A 24 3.121 13.467 5.512 1.00 10.00 C ATOM 361 NZ LYS A 24 3.378 14.588 4.578 1.00 10.00 N ATOM 0 H LYS A 24 1.300 8.811 5.684 1.00 10.00 H new ATOM 0 HA LYS A 24 2.809 9.636 3.381 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.626 8.935 6.246 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.666 9.725 5.077 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.031 10.954 5.961 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.516 11.204 6.857 1.00 10.00 H new ATOM 0 HD2 LYS A 24 4.582 12.084 4.705 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.009 11.978 3.941 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.065 13.454 5.782 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.683 13.624 6.432 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 3.103 15.485 5.028 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.390 14.616 4.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 2.822 14.451 3.710 1.00 10.00 H new ATOM 375 N SER A 25 4.409 7.744 2.873 1.00 10.00 N ATOM 376 CA SER A 25 5.336 6.672 2.489 1.00 10.00 C ATOM 377 C SER A 25 6.094 6.045 3.675 1.00 10.00 C ATOM 378 O SER A 25 6.455 4.877 3.627 1.00 10.00 O ATOM 379 CB SER A 25 6.328 7.184 1.426 1.00 10.00 C ATOM 380 OG SER A 25 6.300 6.325 0.302 1.00 10.00 O ATOM 0 H SER A 25 4.522 8.585 2.307 1.00 10.00 H new ATOM 0 HA SER A 25 4.722 5.874 2.073 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.066 8.199 1.128 1.00 10.00 H new ATOM 0 HB3 SER A 25 7.335 7.224 1.842 1.00 10.00 H new ATOM 0 HG SER A 25 6.929 6.651 -0.375 1.00 10.00 H new ATOM 386 N HIS A 26 6.365 6.807 4.739 1.00 10.00 N ATOM 387 CA HIS A 26 6.975 6.292 5.960 1.00 10.00 C ATOM 388 C HIS A 26 6.432 7.050 7.178 1.00 10.00 C ATOM 389 O HIS A 26 6.646 8.251 7.319 1.00 10.00 O ATOM 390 CB HIS A 26 8.507 6.342 5.855 1.00 10.00 C ATOM 391 CG HIS A 26 9.065 7.699 5.501 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.027 8.815 6.303 1.00 10.00 N ATOM 393 CD2 HIS A 26 9.588 8.078 4.294 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.522 9.844 5.599 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.874 9.446 4.367 1.00 10.00 N ATOM 0 H HIS A 26 6.164 7.806 4.773 1.00 10.00 H new ATOM 0 HA HIS A 26 6.707 5.244 6.093 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.935 6.024 6.806 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.831 5.622 5.103 1.00 10.00 H new ATOM 0 HD1 HIS A 26 8.684 8.854 7.263 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.750 7.437 3.440 1.00 10.00 H new ATOM 0 HE1 HIS A 26 9.623 10.852 5.972 1.00 10.00 H new ATOM 403 N ASN A 27 5.710 6.359 8.056 1.00 10.00 N ATOM 404 CA ASN A 27 5.225 6.892 9.315 1.00 10.00 C ATOM 405 C ASN A 27 5.269 5.765 10.347 1.00 10.00 C ATOM 406 O ASN A 27 5.397 4.598 9.978 1.00 10.00 O ATOM 407 CB ASN A 27 3.781 7.385 9.111 1.00 10.00 C ATOM 408 CG ASN A 27 3.641 8.886 8.895 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.596 9.649 8.884 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.415 9.338 8.714 1.00 10.00 N ATOM 0 H ASN A 27 5.442 5.387 7.902 1.00 10.00 H new ATOM 0 HA ASN A 27 5.836 7.726 9.661 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.354 6.868 8.252 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.189 7.101 9.981 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.256 10.334 8.563 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.626 8.691 8.725 1.00 10.00 H new ATOM 417 N THR A 28 5.088 6.111 11.621 1.00 10.00 N ATOM 418 CA THR A 28 4.843 5.120 12.668 1.00 10.00 C ATOM 419 C THR A 28 3.401 5.200 13.170 1.00 10.00 C ATOM 420 O THR A 28 2.797 4.168 13.420 1.00 10.00 O ATOM 421 CB THR A 28 5.871 5.299 13.792 1.00 10.00 C ATOM 422 OG1 THR A 28 7.156 5.099 13.241 1.00 10.00 O ATOM 423 CG2 THR A 28 5.686 4.286 14.920 1.00 10.00 C ATOM 0 H THR A 28 5.107 7.075 11.954 1.00 10.00 H new ATOM 0 HA THR A 28 4.968 4.117 12.259 1.00 10.00 H new ATOM 0 HB THR A 28 5.743 6.298 14.209 1.00 10.00 H new ATOM 0 HG1 THR A 28 7.833 5.210 13.941 1.00 10.00 H new ATOM 0 HG21 THR A 28 6.439 4.457 15.689 1.00 10.00 H new ATOM 0 HG22 THR A 28 4.692 4.401 15.353 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.795 3.276 14.524 1.00 10.00 H new ATOM 431 N ALA A 29 2.779 6.382 13.187 1.00 10.00 N ATOM 432 CA ALA A 29 1.435 6.548 13.745 1.00 10.00 C ATOM 433 C ALA A 29 0.298 6.083 12.823 1.00 10.00 C ATOM 434 O ALA A 29 -0.751 5.679 13.312 1.00 10.00 O ATOM 435 CB ALA A 29 1.237 8.005 14.134 1.00 10.00 C ATOM 0 H ALA A 29 3.187 7.241 12.819 1.00 10.00 H new ATOM 0 HA ALA A 29 1.378 5.897 14.617 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.239 8.138 14.551 1.00 10.00 H new ATOM 0 HB2 ALA A 29 1.981 8.287 14.879 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.349 8.636 13.252 1.00 10.00 H new ATOM 441 N ASP A 30 0.485 6.128 11.501 1.00 10.00 N ATOM 442 CA ASP A 30 -0.505 5.629 10.547 1.00 10.00 C ATOM 443 C ASP A 30 -0.375 4.106 10.424 1.00 10.00 C ATOM 444 O ASP A 30 -1.336 3.393 10.156 1.00 10.00 O ATOM 445 CB ASP A 30 -0.284 6.231 9.153 1.00 10.00 C ATOM 446 CG ASP A 30 -0.304 7.728 9.019 1.00 10.00 C ATOM 447 OD1 ASP A 30 0.252 8.399 9.907 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.611 8.138 7.883 1.00 10.00 O ATOM 0 H ASP A 30 1.324 6.510 11.065 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.492 5.912 10.914 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.678 5.876 8.785 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -1.048 5.826 8.490 1.00 10.00 H new ATOM 453 N TRP A 31 0.863 3.624 10.551 1.00 10.00 N ATOM 454 CA TRP A 31 1.202 2.218 10.460 1.00 10.00 C ATOM 455 C TRP A 31 0.832 1.501 11.772 1.00 10.00 C ATOM 456 O TRP A 31 0.227 0.440 11.701 1.00 10.00 O ATOM 457 CB TRP A 31 2.658 2.077 9.989 1.00 10.00 C ATOM 458 CG TRP A 31 2.937 2.676 8.621 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.073 4.000 8.370 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.063 2.038 7.306 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.218 4.240 7.024 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.178 3.067 6.318 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.063 0.707 6.829 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.210 2.809 4.947 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.140 0.435 5.446 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.133 1.484 4.515 1.00 10.00 C ATOM 0 H TRP A 31 1.671 4.222 10.724 1.00 10.00 H new ATOM 0 HA TRP A 31 0.612 1.703 9.702 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.311 2.553 10.720 1.00 10.00 H new ATOM 0 HB3 TRP A 31 2.920 1.019 9.969 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.068 4.768 9.129 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.339 5.164 6.609 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.003 -0.111 7.531 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.293 3.617 4.235 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.205 -0.587 5.103 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.068 1.266 3.459 1.00 10.00 H new ATOM 477 N GLU A 32 1.066 2.083 12.959 1.00 10.00 N ATOM 478 CA GLU A 32 0.646 1.525 14.256 1.00 10.00 C ATOM 479 C GLU A 32 -0.760 0.876 14.262 1.00 10.00 C ATOM 480 O GLU A 32 -0.860 -0.341 14.418 1.00 10.00 O ATOM 481 CB GLU A 32 0.794 2.595 15.353 1.00 10.00 C ATOM 482 CG GLU A 32 2.166 2.519 16.043 1.00 10.00 C ATOM 483 CD GLU A 32 2.459 3.708 16.954 1.00 10.00 C ATOM 484 OE1 GLU A 32 1.614 4.628 17.005 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.542 3.677 17.574 1.00 10.00 O ATOM 0 H GLU A 32 1.561 2.970 13.047 1.00 10.00 H new ATOM 0 HA GLU A 32 1.317 0.691 14.465 1.00 10.00 H new ATOM 0 HB2 GLU A 32 0.661 3.585 14.916 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.006 2.466 16.095 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.218 1.601 16.629 1.00 10.00 H new ATOM 0 HG3 GLU A 32 2.943 2.455 15.281 1.00 10.00 H new ATOM 492 N PRO A 33 -1.855 1.630 14.050 1.00 10.00 N ATOM 493 CA PRO A 33 -3.217 1.100 14.075 1.00 10.00 C ATOM 494 C PRO A 33 -3.547 0.200 12.872 1.00 10.00 C ATOM 495 O PRO A 33 -4.681 -0.272 12.746 1.00 10.00 O ATOM 496 CB PRO A 33 -4.117 2.342 14.112 1.00 10.00 C ATOM 497 CG PRO A 33 -3.303 3.375 13.338 1.00 10.00 C ATOM 498 CD PRO A 33 -1.877 3.054 13.777 1.00 10.00 C ATOM 0 HA PRO A 33 -3.362 0.448 14.936 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -5.083 2.155 13.643 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -4.316 2.667 15.133 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.431 3.270 12.261 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.589 4.395 13.595 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -1.161 3.313 12.997 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.603 3.626 14.664 1.00 10.00 H new ATOM 506 N ARG A 34 -2.611 -0.003 11.940 1.00 10.00 N ATOM 507 CA ARG A 34 -2.700 -0.974 10.850 1.00 10.00 C ATOM 508 C ARG A 34 -1.877 -2.233 11.199 1.00 10.00 C ATOM 509 O ARG A 34 -2.271 -3.353 10.880 1.00 10.00 O ATOM 510 CB ARG A 34 -2.218 -0.292 9.555 1.00 10.00 C ATOM 511 CG ARG A 34 -3.291 0.495 8.777 1.00 10.00 C ATOM 512 CD ARG A 34 -4.108 1.515 9.579 1.00 10.00 C ATOM 513 NE ARG A 34 -5.200 0.870 10.327 1.00 10.00 N ATOM 514 CZ ARG A 34 -6.343 0.354 9.871 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.783 0.568 8.641 1.00 10.00 N ATOM 516 NH2 ARG A 34 -7.054 -0.408 10.691 1.00 10.00 N ATOM 0 H ARG A 34 -1.739 0.525 11.925 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.728 -1.304 10.702 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -1.404 0.389 9.805 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.804 -1.055 8.896 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.801 1.020 7.957 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.982 -0.220 8.331 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.453 2.041 10.273 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.522 2.263 8.902 1.00 10.00 H new ATOM 0 HE ARG A 34 -5.064 0.809 11.336 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -6.242 1.148 7.999 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.663 0.153 8.335 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.722 -0.584 11.639 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.932 -0.818 10.373 1.00 10.00 H new ATOM 530 N LEU A 35 -0.756 -2.045 11.902 1.00 10.00 N ATOM 531 CA LEU A 35 0.260 -3.027 12.259 1.00 10.00 C ATOM 532 C LEU A 35 0.073 -3.555 13.693 1.00 10.00 C ATOM 533 O LEU A 35 0.990 -4.122 14.281 1.00 10.00 O ATOM 534 CB LEU A 35 1.621 -2.330 12.066 1.00 10.00 C ATOM 535 CG LEU A 35 2.860 -3.236 12.072 1.00 10.00 C ATOM 536 CD1 LEU A 35 2.593 -4.594 11.434 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.985 -2.582 11.277 1.00 10.00 C ATOM 0 H LEU A 35 -0.521 -1.121 12.265 1.00 10.00 H new ATOM 0 HA LEU A 35 0.187 -3.911 11.625 1.00 10.00 H new ATOM 0 HB2 LEU A 35 1.597 -1.791 11.119 1.00 10.00 H new ATOM 0 HB3 LEU A 35 1.738 -1.586 12.854 1.00 10.00 H new ATOM 0 HG LEU A 35 3.131 -3.378 13.118 1.00 10.00 H new ATOM 0 HD11 LEU A 35 3.502 -5.195 11.464 1.00 10.00 H new ATOM 0 HD12 LEU A 35 1.802 -5.105 11.983 1.00 10.00 H new ATOM 0 HD13 LEU A 35 2.284 -4.455 10.398 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.861 -3.230 11.285 1.00 10.00 H new ATOM 0 HD22 LEU A 35 3.660 -2.425 10.249 1.00 10.00 H new ATOM 0 HD23 LEU A 35 4.239 -1.623 11.728 1.00 10.00 H new ATOM 549 N ALA A 36 -1.141 -3.414 14.234 1.00 10.00 N ATOM 550 CA ALA A 36 -1.562 -3.941 15.531 1.00 10.00 C ATOM 551 C ALA A 36 -2.505 -5.142 15.340 1.00 10.00 C ATOM 552 O ALA A 36 -3.227 -5.538 16.252 1.00 10.00 O ATOM 553 CB ALA A 36 -2.229 -2.808 16.316 1.00 10.00 C ATOM 0 H ALA A 36 -1.887 -2.907 13.758 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.702 -4.303 16.095 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.551 -3.180 17.289 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.517 -1.994 16.456 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.094 -2.442 15.763 1.00 10.00 H new ATOM 559 N LYS A 37 -2.507 -5.698 14.124 1.00 10.00 N ATOM 560 CA LYS A 37 -3.299 -6.844 13.698 1.00 10.00 C ATOM 561 C LYS A 37 -2.426 -7.846 12.935 1.00 10.00 C ATOM 562 O LYS A 37 -2.523 -9.048 13.162 1.00 10.00 O ATOM 563 CB LYS A 37 -4.481 -6.352 12.845 1.00 10.00 C ATOM 564 CG LYS A 37 -5.628 -5.858 13.738 1.00 10.00 C ATOM 565 CD LYS A 37 -6.529 -7.032 14.149 1.00 10.00 C ATOM 566 CE LYS A 37 -7.307 -6.694 15.427 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.521 -7.528 15.562 1.00 10.00 N ATOM 0 H LYS A 37 -1.921 -5.336 13.372 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.695 -7.364 14.570 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.152 -5.546 12.189 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.835 -7.160 12.205 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.223 -5.373 14.626 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.215 -5.109 13.206 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -7.226 -7.262 13.343 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.923 -7.923 14.311 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.664 -6.843 16.295 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.588 -5.641 15.415 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.022 -7.273 16.437 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -9.145 -7.367 14.746 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.250 -8.532 15.598 1.00 10.00 H new ATOM 581 N GLY A 38 -1.590 -7.363 12.007 1.00 10.00 N ATOM 582 CA GLY A 38 -0.721 -8.206 11.197 1.00 10.00 C ATOM 583 C GLY A 38 -0.224 -7.410 9.992 1.00 10.00 C ATOM 584 O GLY A 38 0.026 -6.213 10.118 1.00 10.00 O ATOM 0 H GLY A 38 -1.502 -6.368 11.801 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.124 -8.554 11.791 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.262 -9.092 10.864 1.00 10.00 H new ATOM 588 N VAL A 39 -0.106 -8.061 8.832 1.00 10.00 N ATOM 589 CA VAL A 39 0.409 -7.451 7.605 1.00 10.00 C ATOM 590 C VAL A 39 -0.554 -7.724 6.449 1.00 10.00 C ATOM 591 O VAL A 39 -1.104 -6.802 5.840 1.00 10.00 O ATOM 592 CB VAL A 39 1.828 -7.979 7.318 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.540 -7.052 6.330 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.685 -8.078 8.589 1.00 10.00 C ATOM 0 H VAL A 39 -0.369 -9.040 8.718 1.00 10.00 H new ATOM 0 HA VAL A 39 0.479 -6.370 7.725 1.00 10.00 H new ATOM 0 HB VAL A 39 1.712 -8.980 6.901 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.542 -7.432 6.132 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.977 -7.012 5.398 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.609 -6.051 6.755 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.675 -8.455 8.332 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.779 -7.091 9.042 1.00 10.00 H new ATOM 0 HG23 VAL A 39 2.210 -8.758 9.296 1.00 10.00 H new ATOM 604 N ASP A 40 -0.857 -9.003 6.215 1.00 10.00 N ATOM 605 CA ASP A 40 -1.711 -9.504 5.145 1.00 10.00 C ATOM 606 C ASP A 40 -3.213 -9.232 5.384 1.00 10.00 C ATOM 607 O ASP A 40 -4.077 -9.999 4.960 1.00 10.00 O ATOM 608 CB ASP A 40 -1.432 -11.004 4.961 1.00 10.00 C ATOM 609 CG ASP A 40 0.012 -11.416 5.215 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.435 -11.278 6.386 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.667 -11.829 4.237 1.00 10.00 O ATOM 0 H ASP A 40 -0.492 -9.754 6.800 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.468 -8.962 4.231 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.080 -11.566 5.634 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.704 -11.289 3.945 1.00 10.00 H new ATOM 616 N ASN A 41 -3.512 -8.107 6.035 1.00 10.00 N ATOM 617 CA ASN A 41 -4.827 -7.564 6.332 1.00 10.00 C ATOM 618 C ASN A 41 -5.067 -6.368 5.405 1.00 10.00 C ATOM 619 O ASN A 41 -6.112 -6.236 4.775 1.00 10.00 O ATOM 620 CB ASN A 41 -4.846 -7.089 7.800 1.00 10.00 C ATOM 621 CG ASN A 41 -4.189 -8.021 8.807 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.612 -7.429 9.843 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.186 -9.237 8.681 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.772 -7.505 6.397 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.601 -8.316 6.183 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.351 -6.119 7.855 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.883 -6.935 8.099 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.638 -9.667 7.874 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.732 -9.821 9.383 1.00 10.00 H new ATOM 630 N LEU A 42 -4.062 -5.495 5.305 1.00 10.00 N ATOM 631 CA LEU A 42 -4.147 -4.239 4.585 1.00 10.00 C ATOM 632 C LEU A 42 -3.898 -4.432 3.092 1.00 10.00 C ATOM 633 O LEU A 42 -4.624 -3.872 2.266 1.00 10.00 O ATOM 634 CB LEU A 42 -3.132 -3.264 5.183 1.00 10.00 C ATOM 635 CG LEU A 42 -3.641 -2.406 6.353 1.00 10.00 C ATOM 636 CD1 LEU A 42 -5.045 -1.835 6.101 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.609 -3.189 7.667 1.00 10.00 C ATOM 0 H LEU A 42 -3.150 -5.652 5.734 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.154 -3.835 4.688 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.266 -3.833 5.523 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.786 -2.599 4.392 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.960 -1.559 6.433 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -5.354 -1.238 6.959 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -5.028 -1.208 5.210 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.750 -2.654 5.956 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.974 -2.557 8.476 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.244 -4.071 7.581 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -2.586 -3.498 7.882 1.00 10.00 H new ATOM 649 N VAL A 43 -2.933 -5.284 2.728 1.00 10.00 N ATOM 650 CA VAL A 43 -2.748 -5.663 1.331 1.00 10.00 C ATOM 651 C VAL A 43 -4.056 -6.246 0.750 1.00 10.00 C ATOM 652 O VAL A 43 -4.339 -6.133 -0.443 1.00 10.00 O ATOM 653 CB VAL A 43 -1.539 -6.607 1.221 1.00 10.00 C ATOM 654 CG1 VAL A 43 -1.912 -8.062 1.494 1.00 10.00 C ATOM 655 CG2 VAL A 43 -0.901 -6.508 -0.164 1.00 10.00 C ATOM 0 H VAL A 43 -2.277 -5.718 3.377 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.524 -4.788 0.721 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.827 -6.288 1.983 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.024 -8.688 1.404 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.318 -8.151 2.502 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.660 -8.387 0.771 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.048 -7.184 -0.221 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.633 -6.784 -0.923 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.566 -5.485 -0.338 1.00 10.00 H new ATOM 665 N LYS A 44 -4.903 -6.820 1.616 1.00 10.00 N ATOM 666 CA LYS A 44 -6.222 -7.285 1.214 1.00 10.00 C ATOM 667 C LYS A 44 -7.206 -6.122 0.950 1.00 10.00 C ATOM 668 O LYS A 44 -7.982 -6.188 -0.002 1.00 10.00 O ATOM 669 CB LYS A 44 -6.778 -8.321 2.205 1.00 10.00 C ATOM 670 CG LYS A 44 -5.776 -9.426 2.584 1.00 10.00 C ATOM 671 CD LYS A 44 -5.512 -10.479 1.488 1.00 10.00 C ATOM 672 CE LYS A 44 -4.012 -10.673 1.188 1.00 10.00 C ATOM 673 NZ LYS A 44 -3.623 -12.086 1.002 1.00 10.00 N ATOM 0 H LYS A 44 -4.689 -6.970 2.602 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.105 -7.793 0.257 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.096 -7.807 3.112 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.666 -8.783 1.772 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -4.828 -8.958 2.852 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.142 -9.936 3.475 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -5.941 -11.432 1.797 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.024 -10.180 0.573 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -3.755 -10.113 0.289 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -3.429 -10.249 2.006 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -2.607 -12.141 0.787 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -3.822 -12.618 1.873 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -4.166 -12.495 0.215 1.00 10.00 H new ATOM 687 N SER A 45 -7.150 -5.037 1.736 1.00 10.00 N ATOM 688 CA SER A 45 -7.948 -3.826 1.502 1.00 10.00 C ATOM 689 C SER A 45 -7.497 -3.124 0.217 1.00 10.00 C ATOM 690 O SER A 45 -8.287 -2.523 -0.508 1.00 10.00 O ATOM 691 CB SER A 45 -7.859 -2.865 2.696 1.00 10.00 C ATOM 692 OG SER A 45 -8.678 -3.333 3.752 1.00 10.00 O ATOM 0 H SER A 45 -6.546 -4.975 2.556 1.00 10.00 H new ATOM 0 HA SER A 45 -8.989 -4.128 1.388 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.826 -2.785 3.033 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.174 -1.866 2.395 1.00 10.00 H new ATOM 0 HG SER A 45 -8.616 -2.717 4.512 1.00 10.00 H new ATOM 698 N VAL A 46 -6.203 -3.211 -0.087 1.00 10.00 N ATOM 699 CA VAL A 46 -5.685 -2.743 -1.369 1.00 10.00 C ATOM 700 C VAL A 46 -6.365 -3.444 -2.549 1.00 10.00 C ATOM 701 O VAL A 46 -6.844 -2.801 -3.486 1.00 10.00 O ATOM 702 CB VAL A 46 -4.165 -2.916 -1.362 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.486 -2.973 -2.727 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.559 -1.774 -0.584 1.00 10.00 C ATOM 0 H VAL A 46 -5.496 -3.601 0.537 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.916 -1.686 -1.502 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.993 -3.893 -0.912 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.411 -3.097 -2.594 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.881 -3.815 -3.295 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.680 -2.047 -3.269 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.474 -1.880 -0.568 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.824 -0.829 -1.059 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.940 -1.787 0.437 1.00 10.00 H new ATOM 714 N LYS A 47 -6.432 -4.775 -2.492 1.00 10.00 N ATOM 715 CA LYS A 47 -7.010 -5.558 -3.577 1.00 10.00 C ATOM 716 C LYS A 47 -8.511 -5.288 -3.782 1.00 10.00 C ATOM 717 O LYS A 47 -9.031 -5.433 -4.882 1.00 10.00 O ATOM 718 CB LYS A 47 -6.680 -7.037 -3.379 1.00 10.00 C ATOM 719 CG LYS A 47 -7.809 -7.890 -2.778 1.00 10.00 C ATOM 720 CD LYS A 47 -7.215 -8.949 -1.847 1.00 10.00 C ATOM 721 CE LYS A 47 -7.628 -10.388 -2.179 1.00 10.00 C ATOM 722 NZ LYS A 47 -8.909 -10.751 -1.532 1.00 10.00 N ATOM 0 H LYS A 47 -6.093 -5.330 -1.706 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.552 -5.236 -4.512 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.401 -7.462 -4.343 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.806 -7.113 -2.732 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.503 -7.256 -2.227 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.379 -8.370 -3.574 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.128 -8.878 -1.883 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.515 -8.725 -0.823 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.721 -10.500 -3.259 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.848 -11.075 -1.853 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -9.157 -11.730 -1.778 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -8.813 -10.668 -0.500 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -9.659 -10.110 -1.863 1.00 10.00 H new ATOM 736 N THR A 48 -9.219 -4.907 -2.716 1.00 10.00 N ATOM 737 CA THR A 48 -10.629 -4.513 -2.796 1.00 10.00 C ATOM 738 C THR A 48 -10.818 -3.045 -3.205 1.00 10.00 C ATOM 739 O THR A 48 -11.828 -2.720 -3.822 1.00 10.00 O ATOM 740 CB THR A 48 -11.352 -4.782 -1.470 1.00 10.00 C ATOM 741 OG1 THR A 48 -10.682 -4.125 -0.424 1.00 10.00 O ATOM 742 CG2 THR A 48 -11.401 -6.272 -1.132 1.00 10.00 C ATOM 0 H THR A 48 -8.832 -4.863 -1.773 1.00 10.00 H new ATOM 0 HA THR A 48 -11.070 -5.128 -3.580 1.00 10.00 H new ATOM 0 HB THR A 48 -12.371 -4.413 -1.583 1.00 10.00 H new ATOM 0 HG1 THR A 48 -9.951 -3.586 -0.791 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.922 -6.413 -0.185 1.00 10.00 H new ATOM 0 HG22 THR A 48 -11.930 -6.807 -1.921 1.00 10.00 H new ATOM 0 HG23 THR A 48 -10.386 -6.660 -1.049 1.00 10.00 H new ATOM 750 N GLY A 49 -9.872 -2.159 -2.872 1.00 10.00 N ATOM 751 CA GLY A 49 -10.028 -0.716 -3.042 1.00 10.00 C ATOM 752 C GLY A 49 -10.831 -0.079 -1.910 1.00 10.00 C ATOM 753 O GLY A 49 -12.059 -0.111 -1.899 1.00 10.00 O ATOM 0 H GLY A 49 -8.972 -2.428 -2.475 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.044 -0.250 -3.092 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.524 -0.516 -3.992 1.00 10.00 H new ATOM 757 N LEU A 50 -10.130 0.554 -0.970 1.00 10.00 N ATOM 758 CA LEU A 50 -10.741 1.469 -0.009 1.00 10.00 C ATOM 759 C LEU A 50 -11.357 2.696 -0.721 1.00 10.00 C ATOM 760 O LEU A 50 -11.187 2.892 -1.919 1.00 10.00 O ATOM 761 CB LEU A 50 -9.664 1.870 1.008 1.00 10.00 C ATOM 762 CG LEU A 50 -10.197 2.130 2.429 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.750 1.009 3.376 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.672 3.467 2.958 1.00 10.00 C ATOM 0 H LEU A 50 -9.122 0.446 -0.854 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.565 0.980 0.511 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.913 1.082 1.053 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.161 2.769 0.651 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.286 2.159 2.385 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.133 1.204 4.378 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.138 0.055 3.019 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.661 0.970 3.405 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.057 3.637 3.963 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.583 3.445 2.986 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.002 4.273 2.302 1.00 10.00 H new ATOM 776 N ASN A 51 -12.057 3.553 0.022 1.00 10.00 N ATOM 777 CA ASN A 51 -12.921 4.626 -0.498 1.00 10.00 C ATOM 778 C ASN A 51 -12.273 5.476 -1.590 1.00 10.00 C ATOM 779 O ASN A 51 -12.781 5.616 -2.698 1.00 10.00 O ATOM 780 CB ASN A 51 -13.371 5.560 0.640 1.00 10.00 C ATOM 781 CG ASN A 51 -13.825 4.735 1.823 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.860 4.401 2.668 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -14.962 4.297 1.917 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.041 3.522 1.041 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.772 4.112 -0.945 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.550 6.214 0.933 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.183 6.202 0.298 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.675 4.580 1.245 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.198 3.648 2.668 1.00 10.00 H new ATOM 790 N ALA A 52 -11.140 6.064 -1.218 1.00 10.00 N ATOM 791 CA ALA A 52 -10.300 6.889 -2.072 1.00 10.00 C ATOM 792 C ALA A 52 -9.105 6.089 -2.620 1.00 10.00 C ATOM 793 O ALA A 52 -8.085 6.667 -2.993 1.00 10.00 O ATOM 794 CB ALA A 52 -9.897 8.109 -1.245 1.00 10.00 C ATOM 0 H ALA A 52 -10.769 5.973 -0.272 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.833 7.222 -2.962 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.263 8.762 -1.845 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.791 8.653 -0.939 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.349 7.784 -0.360 1.00 10.00 H new ATOM 800 N MET A 53 -9.241 4.755 -2.676 1.00 10.00 N ATOM 801 CA MET A 53 -8.282 3.855 -3.318 1.00 10.00 C ATOM 802 C MET A 53 -8.807 3.150 -4.584 1.00 10.00 C ATOM 803 O MET A 53 -10.006 2.936 -4.742 1.00 10.00 O ATOM 804 CB MET A 53 -7.843 2.808 -2.294 1.00 10.00 C ATOM 805 CG MET A 53 -6.694 3.323 -1.434 1.00 10.00 C ATOM 806 SD MET A 53 -5.294 2.196 -1.456 1.00 10.00 S ATOM 807 CE MET A 53 -5.904 0.967 -0.267 1.00 10.00 C ATOM 0 H MET A 53 -10.038 4.266 -2.267 1.00 10.00 H new ATOM 0 HA MET A 53 -7.450 4.474 -3.655 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.687 2.543 -1.657 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.535 1.898 -2.810 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.379 4.302 -1.795 1.00 10.00 H new ATOM 0 HG3 MET A 53 -7.038 3.457 -0.408 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.067 0.379 0.110 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.393 1.476 0.564 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.619 0.308 -0.760 1.00 10.00 H new ATOM 817 N PRO A 54 -7.896 2.745 -5.488 1.00 10.00 N ATOM 818 CA PRO A 54 -8.250 1.987 -6.677 1.00 10.00 C ATOM 819 C PRO A 54 -8.543 0.516 -6.314 1.00 10.00 C ATOM 820 O PRO A 54 -7.769 -0.094 -5.576 1.00 10.00 O ATOM 821 CB PRO A 54 -7.029 2.110 -7.592 1.00 10.00 C ATOM 822 CG PRO A 54 -5.865 2.200 -6.604 1.00 10.00 C ATOM 823 CD PRO A 54 -6.460 2.994 -5.444 1.00 10.00 C ATOM 0 HA PRO A 54 -9.153 2.360 -7.160 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -6.932 1.249 -8.253 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -7.088 2.994 -8.227 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.528 1.213 -6.287 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.004 2.706 -7.040 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.036 2.673 -4.492 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -6.244 4.057 -5.547 1.00 10.00 H new ATOM 831 N PRO A 55 -9.630 -0.077 -6.833 1.00 10.00 N ATOM 832 CA PRO A 55 -9.973 -1.471 -6.582 1.00 10.00 C ATOM 833 C PRO A 55 -8.936 -2.393 -7.215 1.00 10.00 C ATOM 834 O PRO A 55 -8.758 -2.361 -8.432 1.00 10.00 O ATOM 835 CB PRO A 55 -11.380 -1.649 -7.163 1.00 10.00 C ATOM 836 CG PRO A 55 -11.427 -0.623 -8.295 1.00 10.00 C ATOM 837 CD PRO A 55 -10.578 0.527 -7.757 1.00 10.00 C ATOM 0 HA PRO A 55 -9.970 -1.729 -5.523 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -11.537 -2.662 -7.532 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -12.151 -1.459 -6.416 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.018 -1.026 -9.222 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.447 -0.305 -8.508 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.061 1.043 -8.566 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.198 1.268 -7.252 1.00 10.00 H new ATOM 845 N GLY A 56 -8.213 -3.188 -6.410 1.00 10.00 N ATOM 846 CA GLY A 56 -7.174 -4.041 -6.968 1.00 10.00 C ATOM 847 C GLY A 56 -5.835 -3.315 -6.979 1.00 10.00 C ATOM 848 O GLY A 56 -5.010 -3.552 -7.856 1.00 10.00 O ATOM 0 H GLY A 56 -8.330 -3.252 -5.399 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -7.093 -4.956 -6.382 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -7.443 -4.335 -7.982 1.00 10.00 H new ATOM 852 N GLY A 57 -5.606 -2.416 -6.014 1.00 10.00 N ATOM 853 CA GLY A 57 -4.364 -1.663 -5.883 1.00 10.00 C ATOM 854 C GLY A 57 -3.836 -1.077 -7.195 1.00 10.00 C ATOM 855 O GLY A 57 -2.627 -1.087 -7.423 1.00 10.00 O ATOM 0 H GLY A 57 -6.292 -2.192 -5.294 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.520 -0.850 -5.173 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.601 -2.316 -5.458 1.00 10.00 H new ATOM 859 N MET A 58 -4.730 -0.585 -8.065 1.00 10.00 N ATOM 860 CA MET A 58 -4.407 -0.019 -9.378 1.00 10.00 C ATOM 861 C MET A 58 -4.019 -1.119 -10.383 1.00 10.00 C ATOM 862 O MET A 58 -4.662 -1.298 -11.415 1.00 10.00 O ATOM 863 CB MET A 58 -3.323 1.067 -9.208 1.00 10.00 C ATOM 864 CG MET A 58 -3.485 2.290 -10.116 1.00 10.00 C ATOM 865 SD MET A 58 -2.947 2.139 -11.837 1.00 10.00 S ATOM 866 CE MET A 58 -2.950 3.897 -12.252 1.00 10.00 C ATOM 0 H MET A 58 -5.730 -0.571 -7.865 1.00 10.00 H new ATOM 0 HA MET A 58 -5.290 0.459 -9.803 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.324 1.401 -8.170 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.348 0.619 -9.398 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.539 2.569 -10.118 1.00 10.00 H new ATOM 0 HG3 MET A 58 -2.937 3.117 -9.665 1.00 10.00 H new ATOM 0 HE1 MET A 58 -2.642 4.026 -13.290 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.954 4.301 -12.118 1.00 10.00 H new ATOM 0 HE3 MET A 58 -2.256 4.426 -11.599 1.00 10.00 H new ATOM 876 N CYS A 59 -2.968 -1.874 -10.063 1.00 10.00 N ATOM 877 CA CYS A 59 -2.562 -3.086 -10.762 1.00 10.00 C ATOM 878 C CYS A 59 -3.369 -4.294 -10.271 1.00 10.00 C ATOM 879 O CYS A 59 -3.038 -4.908 -9.259 1.00 10.00 O ATOM 880 CB CYS A 59 -1.059 -3.275 -10.553 1.00 10.00 C ATOM 881 SG CYS A 59 -0.406 -4.945 -10.789 1.00 10.00 S ATOM 0 H CYS A 59 -2.355 -1.647 -9.280 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.765 -2.996 -11.829 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.534 -2.606 -11.235 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.814 -2.954 -9.540 1.00 10.00 H new ATOM 886 N THR A 60 -4.411 -4.655 -11.025 1.00 10.00 N ATOM 887 CA THR A 60 -5.135 -5.911 -10.818 1.00 10.00 C ATOM 888 C THR A 60 -4.207 -7.128 -10.980 1.00 10.00 C ATOM 889 O THR A 60 -4.226 -8.050 -10.167 1.00 10.00 O ATOM 890 CB THR A 60 -6.373 -5.967 -11.731 1.00 10.00 C ATOM 891 OG1 THR A 60 -7.149 -7.101 -11.419 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.056 -6.009 -13.230 1.00 10.00 C ATOM 0 H THR A 60 -4.774 -4.088 -11.791 1.00 10.00 H new ATOM 0 HA THR A 60 -5.494 -5.948 -9.789 1.00 10.00 H new ATOM 0 HB THR A 60 -6.910 -5.038 -11.540 1.00 10.00 H new ATOM 0 HG1 THR A 60 -7.936 -7.130 -12.003 1.00 10.00 H new ATOM 0 HG21 THR A 60 -6.986 -6.047 -13.798 1.00 10.00 H new ATOM 0 HG22 THR A 60 -5.497 -5.116 -13.509 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.459 -6.894 -13.451 1.00 10.00 H new ATOM 900 N ASP A 61 -3.333 -7.101 -11.994 1.00 10.00 N ATOM 901 CA ASP A 61 -2.406 -8.177 -12.330 1.00 10.00 C ATOM 902 C ASP A 61 -1.168 -8.160 -11.400 1.00 10.00 C ATOM 903 O ASP A 61 -0.029 -8.003 -11.837 1.00 10.00 O ATOM 904 CB ASP A 61 -2.068 -8.028 -13.826 1.00 10.00 C ATOM 905 CG ASP A 61 -1.615 -9.327 -14.481 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.424 -10.319 -13.747 1.00 10.00 O ATOM 907 OD2 ASP A 61 -1.502 -9.303 -15.725 1.00 10.00 O ATOM 0 H ASP A 61 -3.253 -6.301 -12.621 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.852 -9.158 -12.167 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.945 -7.652 -14.352 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.283 -7.280 -13.940 1.00 10.00 H new ATOM 912 N CYS A 62 -1.415 -8.249 -10.089 1.00 10.00 N ATOM 913 CA CYS A 62 -0.419 -8.170 -9.014 1.00 10.00 C ATOM 914 C CYS A 62 -0.542 -9.366 -8.063 1.00 10.00 C ATOM 915 O CYS A 62 -1.647 -9.703 -7.637 1.00 10.00 O ATOM 916 CB CYS A 62 -0.612 -6.862 -8.235 1.00 10.00 C ATOM 917 SG CYS A 62 0.301 -5.427 -8.850 1.00 10.00 S ATOM 0 H CYS A 62 -2.360 -8.385 -9.731 1.00 10.00 H new ATOM 0 HA CYS A 62 0.576 -8.191 -9.459 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.674 -6.618 -8.233 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.323 -7.034 -7.198 1.00 10.00 H new ATOM 922 N THR A 63 0.583 -9.992 -7.698 1.00 10.00 N ATOM 923 CA THR A 63 0.614 -11.164 -6.827 1.00 10.00 C ATOM 924 C THR A 63 1.068 -10.758 -5.420 1.00 10.00 C ATOM 925 O THR A 63 1.966 -9.934 -5.273 1.00 10.00 O ATOM 926 CB THR A 63 1.560 -12.227 -7.422 1.00 10.00 C ATOM 927 OG1 THR A 63 1.345 -12.394 -8.807 1.00 10.00 O ATOM 928 CG2 THR A 63 1.328 -13.599 -6.784 1.00 10.00 C ATOM 0 H THR A 63 1.508 -9.692 -8.006 1.00 10.00 H new ATOM 0 HA THR A 63 -0.387 -11.590 -6.754 1.00 10.00 H new ATOM 0 HB THR A 63 2.570 -11.869 -7.225 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.961 -13.073 -9.154 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.010 -14.326 -7.225 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.509 -13.537 -5.711 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.299 -13.913 -6.961 1.00 10.00 H new ATOM 936 N ASP A 64 0.487 -11.342 -4.363 1.00 10.00 N ATOM 937 CA ASP A 64 0.861 -11.094 -2.968 1.00 10.00 C ATOM 938 C ASP A 64 2.380 -11.071 -2.721 1.00 10.00 C ATOM 939 O ASP A 64 2.846 -10.299 -1.886 1.00 10.00 O ATOM 940 CB ASP A 64 0.173 -12.143 -2.080 1.00 10.00 C ATOM 941 CG ASP A 64 -1.069 -11.657 -1.344 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.759 -10.742 -1.835 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.334 -12.227 -0.263 1.00 10.00 O ATOM 0 H ASP A 64 -0.273 -12.015 -4.459 1.00 10.00 H new ATOM 0 HA ASP A 64 0.520 -10.091 -2.712 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.102 -12.996 -2.700 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.894 -12.502 -1.345 1.00 10.00 H new ATOM 948 N GLU A 65 3.151 -11.897 -3.435 1.00 10.00 N ATOM 949 CA GLU A 65 4.610 -11.837 -3.478 1.00 10.00 C ATOM 950 C GLU A 65 5.093 -10.385 -3.657 1.00 10.00 C ATOM 951 O GLU A 65 5.818 -9.841 -2.824 1.00 10.00 O ATOM 952 CB GLU A 65 5.087 -12.731 -4.641 1.00 10.00 C ATOM 953 CG GLU A 65 4.841 -14.232 -4.385 1.00 10.00 C ATOM 954 CD GLU A 65 5.944 -14.892 -3.563 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.060 -14.529 -2.373 1.00 10.00 O ATOM 956 OE2 GLU A 65 6.635 -15.758 -4.139 1.00 10.00 O ATOM 0 H GLU A 65 2.765 -12.644 -4.013 1.00 10.00 H new ATOM 0 HA GLU A 65 5.030 -12.197 -2.539 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.572 -12.435 -5.555 1.00 10.00 H new ATOM 0 HB3 GLU A 65 6.152 -12.566 -4.807 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.889 -14.354 -3.868 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.752 -14.747 -5.342 1.00 10.00 H new ATOM 963 N ASP A 66 4.626 -9.741 -4.728 1.00 10.00 N ATOM 964 CA ASP A 66 5.023 -8.409 -5.149 1.00 10.00 C ATOM 965 C ASP A 66 4.307 -7.375 -4.263 1.00 10.00 C ATOM 966 O ASP A 66 4.894 -6.406 -3.783 1.00 10.00 O ATOM 967 CB ASP A 66 4.646 -8.206 -6.635 1.00 10.00 C ATOM 968 CG ASP A 66 4.362 -9.461 -7.454 1.00 10.00 C ATOM 969 OD1 ASP A 66 5.261 -10.321 -7.536 1.00 10.00 O ATOM 970 OD2 ASP A 66 3.223 -9.547 -7.967 1.00 10.00 O ATOM 0 H ASP A 66 3.931 -10.157 -5.348 1.00 10.00 H new ATOM 0 HA ASP A 66 6.101 -8.284 -5.045 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.764 -7.567 -6.677 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.457 -7.662 -7.119 1.00 10.00 H new ATOM 975 N TYR A 67 3.009 -7.600 -4.044 1.00 10.00 N ATOM 976 CA TYR A 67 2.115 -6.702 -3.328 1.00 10.00 C ATOM 977 C TYR A 67 2.613 -6.478 -1.890 1.00 10.00 C ATOM 978 O TYR A 67 2.743 -5.341 -1.440 1.00 10.00 O ATOM 979 CB TYR A 67 0.696 -7.304 -3.400 1.00 10.00 C ATOM 980 CG TYR A 67 -0.470 -6.453 -3.878 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.323 -5.493 -4.906 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.761 -6.908 -3.552 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.456 -4.983 -5.568 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.888 -6.382 -4.199 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.732 -5.466 -5.245 1.00 10.00 C ATOM 986 OH TYR A 67 -3.828 -5.100 -5.958 1.00 10.00 O ATOM 0 H TYR A 67 2.540 -8.444 -4.374 1.00 10.00 H new ATOM 0 HA TYR A 67 2.094 -5.712 -3.783 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.747 -8.177 -4.050 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.446 -7.664 -2.402 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.662 -5.150 -5.184 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.885 -7.670 -2.796 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.342 -4.220 -6.324 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.878 -6.684 -3.890 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.573 -4.438 -6.634 1.00 10.00 H new ATOM 996 N LYS A 68 2.966 -7.555 -1.181 1.00 10.00 N ATOM 997 CA LYS A 68 3.565 -7.478 0.149 1.00 10.00 C ATOM 998 C LYS A 68 4.980 -6.915 0.083 1.00 10.00 C ATOM 999 O LYS A 68 5.290 -6.018 0.853 1.00 10.00 O ATOM 1000 CB LYS A 68 3.532 -8.832 0.858 1.00 10.00 C ATOM 1001 CG LYS A 68 2.143 -9.080 1.465 1.00 10.00 C ATOM 1002 CD LYS A 68 1.663 -10.537 1.426 1.00 10.00 C ATOM 1003 CE LYS A 68 2.663 -11.557 1.991 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.576 -12.083 0.952 1.00 10.00 N ATOM 0 H LYS A 68 2.842 -8.509 -1.519 1.00 10.00 H new ATOM 0 HA LYS A 68 2.964 -6.789 0.742 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.775 -9.626 0.152 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.289 -8.859 1.642 1.00 10.00 H new ATOM 0 HG2 LYS A 68 2.152 -8.745 2.502 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.418 -8.461 0.937 1.00 10.00 H new ATOM 0 HD2 LYS A 68 0.731 -10.613 1.986 1.00 10.00 H new ATOM 0 HD3 LYS A 68 1.437 -10.803 0.393 1.00 10.00 H new ATOM 0 HE2 LYS A 68 3.248 -11.089 2.782 1.00 10.00 H new ATOM 0 HE3 LYS A 68 2.117 -12.384 2.445 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.816 -13.071 1.169 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 3.109 -12.036 0.024 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 4.445 -11.512 0.932 1.00 10.00 H new ATOM 1018 N ALA A 69 5.816 -7.357 -0.861 1.00 10.00 N ATOM 1019 CA ALA A 69 7.107 -6.708 -1.085 1.00 10.00 C ATOM 1020 C ALA A 69 6.990 -5.177 -1.246 1.00 10.00 C ATOM 1021 O ALA A 69 7.915 -4.445 -0.901 1.00 10.00 O ATOM 1022 CB ALA A 69 7.798 -7.356 -2.280 1.00 10.00 C ATOM 0 H ALA A 69 5.625 -8.150 -1.473 1.00 10.00 H new ATOM 0 HA ALA A 69 7.719 -6.857 -0.195 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.761 -6.874 -2.449 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.953 -8.416 -2.080 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.174 -7.242 -3.167 1.00 10.00 H new ATOM 1028 N ALA A 70 5.844 -4.669 -1.720 1.00 10.00 N ATOM 1029 CA ALA A 70 5.582 -3.230 -1.780 1.00 10.00 C ATOM 1030 C ALA A 70 5.054 -2.719 -0.432 1.00 10.00 C ATOM 1031 O ALA A 70 5.563 -1.736 0.101 1.00 10.00 O ATOM 1032 CB ALA A 70 4.663 -2.914 -2.965 1.00 10.00 C ATOM 0 H ALA A 70 5.078 -5.244 -2.070 1.00 10.00 H new ATOM 0 HA ALA A 70 6.512 -2.690 -1.957 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.473 -1.841 -3.002 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.142 -3.230 -3.892 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.719 -3.446 -2.845 1.00 10.00 H new ATOM 1038 N ILE A 71 4.088 -3.425 0.159 1.00 10.00 N ATOM 1039 CA ILE A 71 3.522 -3.125 1.485 1.00 10.00 C ATOM 1040 C ILE A 71 4.593 -3.005 2.591 1.00 10.00 C ATOM 1041 O ILE A 71 4.470 -2.213 3.525 1.00 10.00 O ATOM 1042 CB ILE A 71 2.426 -4.170 1.813 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.116 -3.518 2.243 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.796 -5.163 2.930 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.401 -2.743 1.138 1.00 10.00 C ATOM 0 H ILE A 71 3.664 -4.243 -0.279 1.00 10.00 H new ATOM 0 HA ILE A 71 3.064 -2.136 1.451 1.00 10.00 H new ATOM 0 HB ILE A 71 2.321 -4.710 0.872 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.446 -4.291 2.619 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.317 -2.840 3.073 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.969 -5.855 3.090 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.686 -5.721 2.640 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.995 -4.616 3.852 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.520 -2.313 1.532 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.048 -1.944 0.777 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.164 -3.418 0.316 1.00 10.00 H new ATOM 1057 N GLU A 72 5.645 -3.815 2.479 1.00 10.00 N ATOM 1058 CA GLU A 72 6.798 -3.832 3.379 1.00 10.00 C ATOM 1059 C GLU A 72 7.907 -2.857 2.960 1.00 10.00 C ATOM 1060 O GLU A 72 8.712 -2.453 3.794 1.00 10.00 O ATOM 1061 CB GLU A 72 7.300 -5.271 3.582 1.00 10.00 C ATOM 1062 CG GLU A 72 7.899 -5.890 2.308 1.00 10.00 C ATOM 1063 CD GLU A 72 9.395 -6.166 2.388 1.00 10.00 C ATOM 1064 OE1 GLU A 72 10.150 -5.182 2.519 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.748 -7.362 2.305 1.00 10.00 O ATOM 0 H GLU A 72 5.721 -4.504 1.730 1.00 10.00 H new ATOM 0 HA GLU A 72 6.464 -3.462 4.348 1.00 10.00 H new ATOM 0 HB2 GLU A 72 8.053 -5.278 4.370 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.473 -5.892 3.926 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.380 -6.824 2.094 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.709 -5.220 1.469 1.00 10.00 H new ATOM 1072 N PHE A 73 7.910 -2.391 1.704 1.00 10.00 N ATOM 1073 CA PHE A 73 8.867 -1.371 1.274 1.00 10.00 C ATOM 1074 C PHE A 73 8.846 -0.138 2.195 1.00 10.00 C ATOM 1075 O PHE A 73 9.886 0.390 2.581 1.00 10.00 O ATOM 1076 CB PHE A 73 8.577 -0.971 -0.176 1.00 10.00 C ATOM 1077 CG PHE A 73 9.720 -0.219 -0.821 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.920 1.147 -0.545 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.673 -0.930 -1.572 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.065 1.803 -1.031 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.811 -0.271 -2.067 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.996 1.100 -1.816 1.00 10.00 C ATOM 0 H PHE A 73 7.266 -2.702 0.977 1.00 10.00 H new ATOM 0 HA PHE A 73 9.868 -1.798 1.337 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.364 -1.867 -0.759 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.680 -0.352 -0.204 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.194 1.691 0.040 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.530 -1.982 -1.768 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.229 2.846 -0.802 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.544 -0.818 -2.641 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.853 1.613 -2.226 1.00 10.00 H new ATOM 1092 N MET A 74 7.639 0.323 2.532 1.00 10.00 N ATOM 1093 CA MET A 74 7.406 1.439 3.440 1.00 10.00 C ATOM 1094 C MET A 74 7.720 1.078 4.906 1.00 10.00 C ATOM 1095 O MET A 74 8.602 1.683 5.511 1.00 10.00 O ATOM 1096 CB MET A 74 5.956 1.900 3.249 1.00 10.00 C ATOM 1097 CG MET A 74 5.760 2.660 1.920 1.00 10.00 C ATOM 1098 SD MET A 74 5.434 1.718 0.404 1.00 10.00 S ATOM 1099 CE MET A 74 3.632 1.580 0.443 1.00 10.00 C ATOM 0 H MET A 74 6.777 -0.083 2.169 1.00 10.00 H new ATOM 0 HA MET A 74 8.087 2.257 3.203 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.294 1.034 3.272 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.668 2.543 4.080 1.00 10.00 H new ATOM 0 HG2 MET A 74 4.933 3.356 2.059 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.655 3.259 1.749 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.287 1.070 -0.456 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.330 1.010 1.322 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.192 2.576 0.487 1.00 10.00 H new ATOM 1109 N SER A 75 6.997 0.103 5.478 1.00 10.00 N ATOM 1110 CA SER A 75 7.276 -0.461 6.797 1.00 10.00 C ATOM 1111 C SER A 75 7.024 -1.977 6.786 1.00 10.00 C ATOM 1112 O SER A 75 7.923 -2.753 6.487 1.00 10.00 O ATOM 1113 CB SER A 75 6.426 0.251 7.856 1.00 10.00 C ATOM 1114 OG SER A 75 6.942 1.528 8.184 1.00 10.00 O ATOM 0 H SER A 75 6.188 -0.320 5.024 1.00 10.00 H new ATOM 0 HA SER A 75 8.325 -0.304 7.050 1.00 10.00 H new ATOM 0 HB2 SER A 75 5.405 0.357 7.489 1.00 10.00 H new ATOM 0 HB3 SER A 75 6.380 -0.363 8.756 1.00 10.00 H new ATOM 0 HG SER A 75 7.536 1.835 7.468 1.00 10.00 H new ATOM 1120 N LYS A 76 5.819 -2.420 7.174 1.00 10.00 N ATOM 1121 CA LYS A 76 5.396 -3.818 7.159 1.00 10.00 C ATOM 1122 C LYS A 76 3.911 -3.897 7.555 1.00 10.00 C ATOM 1123 O LYS A 76 3.564 -4.584 8.510 1.00 10.00 O ATOM 1124 CB LYS A 76 6.331 -4.704 8.023 1.00 10.00 C ATOM 1125 CG LYS A 76 6.925 -3.995 9.252 1.00 10.00 C ATOM 1126 CD LYS A 76 7.688 -4.923 10.208 1.00 10.00 C ATOM 1127 CE LYS A 76 6.750 -5.843 11.001 1.00 10.00 C ATOM 1128 NZ LYS A 76 7.314 -6.170 12.330 1.00 10.00 N ATOM 0 H LYS A 76 5.093 -1.791 7.517 1.00 10.00 H new ATOM 0 HA LYS A 76 5.485 -4.226 6.152 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.774 -5.579 8.358 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.147 -5.066 7.398 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.599 -3.208 8.913 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.119 -3.509 9.802 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.391 -5.530 9.637 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.276 -4.322 10.902 1.00 10.00 H new ATOM 0 HE2 LYS A 76 5.781 -5.359 11.124 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.579 -6.762 10.440 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 6.657 -6.793 12.842 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.227 -6.653 12.210 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 7.454 -5.294 12.873 1.00 10.00 H new ATOM 1142 N ALA A 77 3.036 -3.178 6.828 1.00 10.00 N ATOM 1143 CA ALA A 77 1.583 -3.213 7.044 1.00 10.00 C ATOM 1144 C ALA A 77 0.757 -2.688 5.862 1.00 10.00 C ATOM 1145 O ALA A 77 0.100 -3.466 5.177 1.00 10.00 O ATOM 1146 CB ALA A 77 1.198 -2.470 8.330 1.00 10.00 C ATOM 0 H ALA A 77 3.321 -2.555 6.072 1.00 10.00 H new ATOM 0 HA ALA A 77 1.335 -4.270 7.142 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.117 -2.512 8.465 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.688 -2.940 9.182 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.515 -1.429 8.258 1.00 10.00 H new ATOM 1152 N LYS A 78 0.736 -1.363 5.702 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.255 -0.604 4.944 1.00 10.00 C ATOM 1154 C LYS A 78 0.261 0.072 3.649 1.00 10.00 C ATOM 1155 O LYS A 78 -0.358 1.072 3.221 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.939 0.355 5.939 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.197 1.673 6.214 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.761 2.843 5.401 1.00 10.00 C ATOM 1159 CE LYS A 78 -1.023 3.998 6.360 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.251 4.672 6.653 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.240 -0.434 3.064 1.00 10.00 O ATOM 0 H LYS A 78 1.447 -0.762 6.120 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.984 -1.296 4.522 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.934 0.592 5.561 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.074 -0.169 6.885 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.262 1.908 7.276 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.860 1.547 5.979 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -0.056 3.143 4.626 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.682 2.549 4.898 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.729 4.702 5.919 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -1.475 3.629 7.281 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 0.081 5.688 6.798 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.669 4.265 7.514 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.905 4.541 5.855 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.557 3.597 -0.676 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.223 3.976 2.350 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.911 0.831 0.472 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.365 3.105 -3.878 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.902 6.695 -1.688 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.625 2.550 1.061 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.416 2.855 2.131 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.259 1.789 3.081 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.357 0.896 2.552 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.889 1.427 1.295 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.090 -0.488 3.056 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.934 1.737 4.426 1.00 10.00 C HETATM 1188 CBA HEC A 90 -4.294 2.702 5.430 1.00 10.00 C HETATM 1189 CGA HEC A 90 -5.220 3.110 6.550 1.00 10.00 C HETATM 1190 O1A HEC A 90 -4.910 4.141 7.176 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.173 2.346 6.805 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.334 2.210 -1.553 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.723 1.202 -0.871 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.833 0.545 -1.799 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.039 1.120 -3.041 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.970 2.211 -2.866 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.164 -0.537 -1.436 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.286 0.802 -4.317 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.501 -0.635 -4.819 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.662 4.686 -2.484 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.128 4.258 -3.661 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.433 5.256 -4.665 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.157 6.254 -4.046 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.264 5.902 -2.650 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.979 5.264 -6.108 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.724 7.519 -4.670 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.361 7.341 -6.049 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.763 5.116 0.214 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.138 6.281 -0.386 1.00 10.00 C HETATM 1210 C2D HEC A 90 -5.915 7.032 0.568 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.098 6.224 1.664 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.318 5.029 1.450 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.512 8.407 0.364 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.040 6.499 2.811 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.363 6.999 4.088 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.416 7.576 5.023 1.00 10.00 C HETATM 1217 O1D HEC A 90 -7.749 6.885 6.008 1.00 10.00 O HETATM 1218 O2D HEC A 90 -7.902 8.682 4.703 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.716 9.122 0.155 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.206 8.381 -0.476 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.044 8.710 1.266 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.890 5.280 -6.147 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.347 4.369 -6.610 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.373 6.148 -6.609 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.873 -0.148 -0.705 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.364 -1.391 -1.011 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.702 -0.851 -2.331 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.743 -0.439 4.088 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.007 -1.076 3.009 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.325 -0.959 2.438 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.835 6.181 4.577 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -5.620 7.759 3.846 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.616 6.960 -6.747 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -6.188 6.634 -5.979 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.734 8.302 -6.404 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.164 -1.340 -4.059 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.560 -0.796 -5.019 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.069 -0.789 -5.735 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -3.406 2.234 5.856 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -3.961 3.595 4.901 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.774 7.239 2.491 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.588 5.585 3.040 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -5.990 1.982 4.311 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.883 0.721 4.818 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.231 7.693 -1.979 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.056 2.885 -4.900 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.276 0.052 0.894 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.805 4.025 3.270 1.00 10.00 H new HETATM 0 H2D HEC A 90 -8.596 8.933 5.348 1.00 10.00 H new HETATM 0 H2A HEC A 90 -6.974 2.876 7.001 1.00 10.00 H new