USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 598 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 33 SER OG : rot -99:sc= -0.0425 USER MOD Set 1.2: A 56 GLN : amide:sc= -2.56 K(o=-2.6,f=-6.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -8.56! C(o=-8.6!,f=-9.8!) USER MOD Single : A 25 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= -0.49 (180deg=-2.19!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 140:sc= -1.77! USER MOD Single : A 43 THR OG1 : rot -59:sc= -1.3! USER MOD Single : A 49 MET CE :methyl 149:sc= -0.151 (180deg=-0.767) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 7:sc= -0.426! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -3.86! C(o=-3.9!,f=-10!) USER MOD Single : A 76 GLN : amide:sc= 0.182 K(o=0.18,f=-0.81) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00393 USER MOD Single : A 83 MET CE :methyl 143:sc= -3.2! (180deg=-6.11!) USER MOD Single : A 86 ASN : amide:sc= -0.0167 K(o=-0.017,f=-0.7) USER MOD Single : A 92 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 3.648 1.822 -1.144 1.00 0.00 N ATOM 18 CA THR A 22 4.945 2.448 -0.950 1.00 0.00 C ATOM 19 C THR A 22 4.782 3.950 -0.712 1.00 0.00 C ATOM 20 O THR A 22 3.886 4.578 -1.275 1.00 0.00 O ATOM 21 CB THR A 22 5.817 2.116 -2.163 1.00 0.00 C ATOM 22 OG1 THR A 22 7.111 1.892 -1.609 1.00 0.00 O ATOM 23 CG2 THR A 22 6.011 3.317 -3.090 1.00 0.00 C ATOM 0 HA THR A 22 5.441 2.062 -0.060 1.00 0.00 H new ATOM 0 HB THR A 22 5.366 1.296 -2.721 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.740 1.669 -2.327 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.637 3.028 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.041 3.655 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.493 4.126 -2.541 1.00 0.00 H new ATOM 31 N HIS A 23 5.661 4.484 0.123 1.00 0.00 N ATOM 32 CA HIS A 23 5.626 5.901 0.442 1.00 0.00 C ATOM 33 C HIS A 23 6.401 6.686 -0.619 1.00 0.00 C ATOM 34 O HIS A 23 7.589 6.445 -0.829 1.00 0.00 O ATOM 35 CB HIS A 23 6.142 6.151 1.860 1.00 0.00 C ATOM 36 CG HIS A 23 5.348 5.451 2.936 1.00 0.00 C ATOM 37 ND1 HIS A 23 4.046 5.020 2.746 1.00 0.00 N ATOM 38 CD2 HIS A 23 5.684 5.110 4.213 1.00 0.00 C ATOM 39 CE1 HIS A 23 3.628 4.448 3.865 1.00 0.00 C ATOM 40 NE2 HIS A 23 4.644 4.505 4.774 1.00 0.00 N ATOM 0 H HIS A 23 6.402 3.960 0.589 1.00 0.00 H new ATOM 0 HA HIS A 23 4.596 6.256 0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.181 5.826 1.920 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.132 7.223 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.635 5.300 4.688 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.653 4.013 4.029 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.610 4.143 5.727 1.00 0.00 H new ATOM 48 N ILE A 24 5.697 7.608 -1.258 1.00 0.00 N ATOM 49 CA ILE A 24 6.304 8.429 -2.292 1.00 0.00 C ATOM 50 C ILE A 24 5.488 9.713 -2.462 1.00 0.00 C ATOM 51 O ILE A 24 4.500 9.922 -1.760 1.00 0.00 O ATOM 52 CB ILE A 24 6.467 7.629 -3.585 1.00 0.00 C ATOM 53 CG1 ILE A 24 5.116 7.120 -4.090 1.00 0.00 C ATOM 54 CG2 ILE A 24 7.476 6.493 -3.403 1.00 0.00 C ATOM 55 CD1 ILE A 24 5.032 7.206 -5.615 1.00 0.00 C ATOM 0 H ILE A 24 4.712 7.805 -1.080 1.00 0.00 H new ATOM 0 HA ILE A 24 7.311 8.726 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 24 6.866 8.295 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.971 6.088 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.313 7.707 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.573 5.940 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.445 6.908 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.130 5.821 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.061 6.838 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.153 8.243 -5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.821 6.599 -6.058 1.00 0.00 H new ATOM 67 N ASN A 25 5.932 10.538 -3.398 1.00 0.00 N ATOM 68 CA ASN A 25 5.255 11.795 -3.669 1.00 0.00 C ATOM 69 C ASN A 25 4.576 11.719 -5.038 1.00 0.00 C ATOM 70 O ASN A 25 5.055 11.027 -5.935 1.00 0.00 O ATOM 71 CB ASN A 25 6.247 12.960 -3.697 1.00 0.00 C ATOM 72 CG ASN A 25 7.075 12.944 -4.984 1.00 0.00 C ATOM 73 OD1 ASN A 25 7.812 12.014 -5.268 1.00 0.00 O ATOM 74 ND2 ASN A 25 6.913 14.023 -5.745 1.00 0.00 N ATOM 0 H ASN A 25 6.752 10.361 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 25 4.525 11.962 -2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.707 13.904 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.909 12.899 -2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.422 14.107 -6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.280 14.766 -5.448 1.00 0.00 H new ATOM 81 N LEU A 26 3.471 12.440 -5.156 1.00 0.00 N ATOM 82 CA LEU A 26 2.722 12.463 -6.401 1.00 0.00 C ATOM 83 C LEU A 26 2.735 13.882 -6.973 1.00 0.00 C ATOM 84 O LEU A 26 2.679 14.857 -6.225 1.00 0.00 O ATOM 85 CB LEU A 26 1.316 11.898 -6.190 1.00 0.00 C ATOM 86 CG LEU A 26 0.240 12.397 -7.157 1.00 0.00 C ATOM 87 CD1 LEU A 26 -0.549 11.229 -7.750 1.00 0.00 C ATOM 88 CD2 LEU A 26 -0.674 13.421 -6.479 1.00 0.00 C ATOM 0 H LEU A 26 3.076 13.013 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 26 3.193 11.816 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.368 10.812 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.000 12.133 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 26 0.734 12.905 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.307 11.612 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.129 10.570 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.032 10.672 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.430 13.760 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.162 12.960 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.082 14.273 -6.146 1.00 0.00 H new ATOM 100 N LYS A 27 2.808 13.953 -8.294 1.00 0.00 N ATOM 101 CA LYS A 27 2.829 15.236 -8.975 1.00 0.00 C ATOM 102 C LYS A 27 1.890 15.183 -10.182 1.00 0.00 C ATOM 103 O LYS A 27 2.160 14.478 -11.153 1.00 0.00 O ATOM 104 CB LYS A 27 4.264 15.631 -9.329 1.00 0.00 C ATOM 105 CG LYS A 27 4.283 16.797 -10.320 1.00 0.00 C ATOM 106 CD LYS A 27 3.278 17.878 -9.914 1.00 0.00 C ATOM 107 CE LYS A 27 3.744 19.260 -10.375 1.00 0.00 C ATOM 108 NZ LYS A 27 5.147 19.496 -9.969 1.00 0.00 N ATOM 0 H LYS A 27 2.853 13.142 -8.911 1.00 0.00 H new ATOM 0 HA LYS A 27 2.459 16.023 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.802 15.910 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.785 14.775 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.285 17.225 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.047 16.433 -11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.303 17.655 -10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.153 17.875 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.655 19.338 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.101 20.029 -9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.259 20.484 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.392 18.862 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.778 19.308 -10.774 1.00 0.00 H new ATOM 121 N VAL A 28 0.806 15.939 -10.081 1.00 0.00 N ATOM 122 CA VAL A 28 -0.174 15.987 -11.152 1.00 0.00 C ATOM 123 C VAL A 28 0.091 17.216 -12.026 1.00 0.00 C ATOM 124 O VAL A 28 0.091 18.343 -11.534 1.00 0.00 O ATOM 125 CB VAL A 28 -1.589 15.963 -10.569 1.00 0.00 C ATOM 126 CG1 VAL A 28 -1.635 15.143 -9.278 1.00 0.00 C ATOM 127 CG2 VAL A 28 -2.111 17.382 -10.336 1.00 0.00 C ATOM 0 H VAL A 28 0.585 16.523 -9.274 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.085 15.108 -11.790 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.243 15.482 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.651 15.142 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.325 14.119 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.961 15.584 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.118 17.336 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.455 17.901 -9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.133 17.922 -11.283 1.00 0.00 H new ATOM 137 N SER A 29 0.311 16.955 -13.306 1.00 0.00 N ATOM 138 CA SER A 29 0.576 18.025 -14.252 1.00 0.00 C ATOM 139 C SER A 29 -0.587 18.155 -15.237 1.00 0.00 C ATOM 140 O SER A 29 -1.179 17.154 -15.639 1.00 0.00 O ATOM 141 CB SER A 29 1.885 17.781 -15.007 1.00 0.00 C ATOM 142 OG SER A 29 2.903 17.262 -14.155 1.00 0.00 O ATOM 0 H SER A 29 0.311 16.018 -13.710 1.00 0.00 H new ATOM 0 HA SER A 29 0.677 18.956 -13.694 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.707 17.084 -15.826 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.226 18.715 -15.453 1.00 0.00 H new ATOM 0 HG SER A 29 3.722 17.118 -14.674 1.00 0.00 H new ATOM 148 N ASP A 30 -0.881 19.396 -15.597 1.00 0.00 N ATOM 149 CA ASP A 30 -1.964 19.669 -16.527 1.00 0.00 C ATOM 150 C ASP A 30 -1.742 21.038 -17.173 1.00 0.00 C ATOM 151 O ASP A 30 -1.004 21.866 -16.642 1.00 0.00 O ATOM 152 CB ASP A 30 -3.313 19.698 -15.807 1.00 0.00 C ATOM 153 CG ASP A 30 -3.496 18.627 -14.731 1.00 0.00 C ATOM 154 OD1 ASP A 30 -3.458 17.421 -15.017 1.00 0.00 O ATOM 155 OD2 ASP A 30 -3.687 19.079 -13.538 1.00 0.00 O ATOM 0 H ASP A 30 -0.388 20.224 -15.261 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.973 18.878 -17.277 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.441 20.678 -15.348 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.105 19.587 -16.547 1.00 0.00 H new ATOM 161 N GLY A 31 -2.395 21.233 -18.309 1.00 0.00 N ATOM 162 CA GLY A 31 -2.278 22.487 -19.034 1.00 0.00 C ATOM 163 C GLY A 31 -1.766 23.602 -18.120 1.00 0.00 C ATOM 164 O GLY A 31 -0.609 24.008 -18.218 1.00 0.00 O ATOM 0 H GLY A 31 -3.007 20.544 -18.745 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.598 22.362 -19.877 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.248 22.766 -19.445 1.00 0.00 H new ATOM 168 N SER A 32 -2.653 24.066 -17.252 1.00 0.00 N ATOM 169 CA SER A 32 -2.306 25.127 -16.321 1.00 0.00 C ATOM 170 C SER A 32 -2.517 24.650 -14.882 1.00 0.00 C ATOM 171 O SER A 32 -2.216 25.374 -13.935 1.00 0.00 O ATOM 172 CB SER A 32 -3.130 26.387 -16.590 1.00 0.00 C ATOM 173 OG SER A 32 -2.328 27.565 -16.563 1.00 0.00 O ATOM 0 H SER A 32 -3.612 23.727 -17.174 1.00 0.00 H new ATOM 0 HA SER A 32 -1.255 25.377 -16.463 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.616 26.302 -17.562 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.921 26.469 -15.844 1.00 0.00 H new ATOM 0 HG SER A 32 -2.890 28.348 -16.741 1.00 0.00 H new ATOM 179 N SER A 33 -3.034 23.436 -14.765 1.00 0.00 N ATOM 180 CA SER A 33 -3.290 22.855 -13.458 1.00 0.00 C ATOM 181 C SER A 33 -2.171 21.877 -13.092 1.00 0.00 C ATOM 182 O SER A 33 -2.067 20.801 -13.678 1.00 0.00 O ATOM 183 CB SER A 33 -4.645 22.147 -13.426 1.00 0.00 C ATOM 184 OG SER A 33 -4.708 21.159 -12.400 1.00 0.00 O ATOM 0 H SER A 33 -3.283 22.839 -15.554 1.00 0.00 H new ATOM 0 HA SER A 33 -3.314 23.661 -12.724 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.434 22.882 -13.270 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.832 21.679 -14.392 1.00 0.00 H new ATOM 0 HG SER A 33 -4.538 20.275 -12.787 1.00 0.00 H new ATOM 190 N GLU A 34 -1.363 22.287 -12.126 1.00 0.00 N ATOM 191 CA GLU A 34 -0.256 21.461 -11.675 1.00 0.00 C ATOM 192 C GLU A 34 -0.063 21.610 -10.164 1.00 0.00 C ATOM 193 O GLU A 34 0.037 22.726 -9.655 1.00 0.00 O ATOM 194 CB GLU A 34 1.029 21.807 -12.429 1.00 0.00 C ATOM 195 CG GLU A 34 1.382 23.287 -12.262 1.00 0.00 C ATOM 196 CD GLU A 34 1.254 24.035 -13.591 1.00 0.00 C ATOM 197 OE1 GLU A 34 1.299 23.410 -14.660 1.00 0.00 O ATOM 198 OE2 GLU A 34 1.101 25.311 -13.485 1.00 0.00 O ATOM 0 H GLU A 34 -1.453 23.181 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.495 20.419 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.849 21.190 -12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.907 21.576 -13.487 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.724 23.740 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.400 23.381 -11.884 1.00 0.00 H new ATOM 206 N ILE A 35 -0.015 20.471 -9.491 1.00 0.00 N ATOM 207 CA ILE A 35 0.164 20.461 -8.049 1.00 0.00 C ATOM 208 C ILE A 35 1.053 19.278 -7.658 1.00 0.00 C ATOM 209 O ILE A 35 1.072 18.258 -8.345 1.00 0.00 O ATOM 210 CB ILE A 35 -1.192 20.472 -7.340 1.00 0.00 C ATOM 211 CG1 ILE A 35 -1.344 21.719 -6.467 1.00 0.00 C ATOM 212 CG2 ILE A 35 -1.403 19.184 -6.541 1.00 0.00 C ATOM 213 CD1 ILE A 35 -0.377 21.681 -5.282 1.00 0.00 C ATOM 0 H ILE A 35 -0.097 19.548 -9.917 1.00 0.00 H new ATOM 0 HA ILE A 35 0.675 21.367 -7.723 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.974 20.513 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.157 22.611 -7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.369 21.789 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.374 19.217 -6.047 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.368 18.328 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.618 19.088 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.506 22.579 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.583 20.801 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.648 21.636 -5.650 1.00 0.00 H new ATOM 225 N PHE A 36 1.767 19.455 -6.556 1.00 0.00 N ATOM 226 CA PHE A 36 2.656 18.415 -6.066 1.00 0.00 C ATOM 227 C PHE A 36 2.516 18.243 -4.552 1.00 0.00 C ATOM 228 O PHE A 36 2.519 19.224 -3.809 1.00 0.00 O ATOM 229 CB PHE A 36 4.084 18.859 -6.387 1.00 0.00 C ATOM 230 CG PHE A 36 4.309 20.368 -6.266 1.00 0.00 C ATOM 231 CD1 PHE A 36 3.874 21.201 -7.250 1.00 0.00 C ATOM 232 CD2 PHE A 36 4.943 20.876 -5.176 1.00 0.00 C ATOM 233 CE1 PHE A 36 4.082 22.601 -7.139 1.00 0.00 C ATOM 234 CE2 PHE A 36 5.151 22.277 -5.065 1.00 0.00 C ATOM 235 CZ PHE A 36 4.716 23.109 -6.048 1.00 0.00 C ATOM 0 H PHE A 36 1.748 20.303 -5.989 1.00 0.00 H new ATOM 0 HA PHE A 36 2.411 17.463 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.773 18.345 -5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.332 18.545 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.370 20.797 -8.116 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.288 20.215 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.737 23.262 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.655 22.681 -4.199 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.874 24.174 -5.963 1.00 0.00 H new ATOM 245 N PHE A 37 2.397 16.990 -4.139 1.00 0.00 N ATOM 246 CA PHE A 37 2.257 16.677 -2.727 1.00 0.00 C ATOM 247 C PHE A 37 2.814 15.287 -2.415 1.00 0.00 C ATOM 248 O PHE A 37 2.976 14.463 -3.314 1.00 0.00 O ATOM 249 CB PHE A 37 0.760 16.696 -2.412 1.00 0.00 C ATOM 250 CG PHE A 37 0.219 18.078 -2.038 1.00 0.00 C ATOM 251 CD1 PHE A 37 0.744 18.749 -0.978 1.00 0.00 C ATOM 252 CD2 PHE A 37 -0.785 18.635 -2.766 1.00 0.00 C ATOM 253 CE1 PHE A 37 0.243 20.032 -0.632 1.00 0.00 C ATOM 254 CE2 PHE A 37 -1.286 19.917 -2.420 1.00 0.00 C ATOM 255 CZ PHE A 37 -0.762 20.589 -1.360 1.00 0.00 C ATOM 0 H PHE A 37 2.395 16.179 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 37 2.809 17.402 -2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.212 16.325 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.563 16.006 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.542 18.306 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.201 18.102 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.660 20.566 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.084 20.359 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.144 21.564 -1.096 1.00 0.00 H new ATOM 265 N LYS A 38 3.092 15.069 -1.138 1.00 0.00 N ATOM 266 CA LYS A 38 3.628 13.792 -0.697 1.00 0.00 C ATOM 267 C LYS A 38 2.509 12.968 -0.057 1.00 0.00 C ATOM 268 O LYS A 38 1.621 13.519 0.591 1.00 0.00 O ATOM 269 CB LYS A 38 4.836 14.006 0.218 1.00 0.00 C ATOM 270 CG LYS A 38 6.117 14.188 -0.598 1.00 0.00 C ATOM 271 CD LYS A 38 7.111 13.060 -0.316 1.00 0.00 C ATOM 272 CE LYS A 38 8.522 13.448 -0.764 1.00 0.00 C ATOM 273 NZ LYS A 38 9.537 12.764 0.068 1.00 0.00 N ATOM 0 H LYS A 38 2.956 15.754 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 38 3.999 13.220 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.672 14.883 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.945 13.153 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.876 14.208 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.573 15.148 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.114 12.831 0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.797 12.155 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.663 13.182 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.650 14.528 -0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.489 13.039 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.412 13.038 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.425 11.734 -0.024 1.00 0.00 H new ATOM 286 N ILE A 39 2.590 11.661 -0.260 1.00 0.00 N ATOM 287 CA ILE A 39 1.595 10.756 0.289 1.00 0.00 C ATOM 288 C ILE A 39 2.266 9.432 0.659 1.00 0.00 C ATOM 289 O ILE A 39 3.360 9.132 0.185 1.00 0.00 O ATOM 290 CB ILE A 39 0.419 10.601 -0.678 1.00 0.00 C ATOM 291 CG1 ILE A 39 -0.187 11.962 -1.027 1.00 0.00 C ATOM 292 CG2 ILE A 39 -0.626 9.633 -0.120 1.00 0.00 C ATOM 293 CD1 ILE A 39 0.636 12.669 -2.104 1.00 0.00 C ATOM 0 H ILE A 39 3.329 11.208 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 39 1.171 11.166 1.206 1.00 0.00 H new ATOM 0 HB ILE A 39 0.794 10.169 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.211 11.829 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.233 12.584 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.451 9.541 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.170 8.655 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.003 10.012 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.183 13.634 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.653 12.822 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.659 12.056 -3.005 1.00 0.00 H new ATOM 305 N LYS A 40 1.581 8.674 1.503 1.00 0.00 N ATOM 306 CA LYS A 40 2.097 7.388 1.942 1.00 0.00 C ATOM 307 C LYS A 40 1.521 6.282 1.056 1.00 0.00 C ATOM 308 O LYS A 40 0.855 5.372 1.547 1.00 0.00 O ATOM 309 CB LYS A 40 1.827 7.184 3.434 1.00 0.00 C ATOM 310 CG LYS A 40 2.536 8.251 4.271 1.00 0.00 C ATOM 311 CD LYS A 40 3.877 7.735 4.795 1.00 0.00 C ATOM 312 CE LYS A 40 3.966 7.886 6.315 1.00 0.00 C ATOM 313 NZ LYS A 40 5.165 8.669 6.689 1.00 0.00 N ATOM 0 H LYS A 40 0.673 8.926 1.894 1.00 0.00 H new ATOM 0 HA LYS A 40 3.181 7.354 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.754 7.223 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.167 6.194 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.697 9.144 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.902 8.542 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.999 6.687 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.692 8.284 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.070 8.380 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.007 6.902 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.210 8.762 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.018 8.182 6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.111 9.614 6.259 1.00 0.00 H new ATOM 326 N LYS A 41 1.797 6.398 -0.235 1.00 0.00 N ATOM 327 CA LYS A 41 1.314 5.419 -1.194 1.00 0.00 C ATOM 328 C LYS A 41 1.786 5.810 -2.596 1.00 0.00 C ATOM 329 O LYS A 41 1.832 6.992 -2.933 1.00 0.00 O ATOM 330 CB LYS A 41 -0.203 5.259 -1.079 1.00 0.00 C ATOM 331 CG LYS A 41 -0.930 6.434 -1.735 1.00 0.00 C ATOM 332 CD LYS A 41 -2.276 6.695 -1.055 1.00 0.00 C ATOM 333 CE LYS A 41 -3.153 7.613 -1.909 1.00 0.00 C ATOM 334 NZ LYS A 41 -4.462 7.833 -1.256 1.00 0.00 N ATOM 0 H LYS A 41 2.349 7.155 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 41 1.732 4.436 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.511 4.327 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.487 5.192 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.310 7.328 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.088 6.224 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.791 5.749 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.112 7.149 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.650 8.568 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.301 7.171 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.045 8.458 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.947 6.921 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.316 8.275 -0.326 1.00 0.00 H new ATOM 347 N THR A 42 2.125 4.794 -3.377 1.00 0.00 N ATOM 348 CA THR A 42 2.591 5.017 -4.735 1.00 0.00 C ATOM 349 C THR A 42 1.419 4.964 -5.717 1.00 0.00 C ATOM 350 O THR A 42 1.280 5.839 -6.570 1.00 0.00 O ATOM 351 CB THR A 42 3.682 3.987 -5.035 1.00 0.00 C ATOM 352 OG1 THR A 42 3.557 3.746 -6.434 1.00 0.00 O ATOM 353 CG2 THR A 42 3.395 2.627 -4.395 1.00 0.00 C ATOM 0 H THR A 42 2.086 3.815 -3.095 1.00 0.00 H new ATOM 0 HA THR A 42 3.023 6.012 -4.847 1.00 0.00 H new ATOM 0 HB THR A 42 4.642 4.361 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.449 3.670 -6.834 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.199 1.933 -4.639 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.329 2.741 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.451 2.237 -4.777 1.00 0.00 H new ATOM 361 N THR A 43 0.606 3.930 -5.563 1.00 0.00 N ATOM 362 CA THR A 43 -0.550 3.752 -6.426 1.00 0.00 C ATOM 363 C THR A 43 -1.044 5.105 -6.941 1.00 0.00 C ATOM 364 O THR A 43 -1.884 5.744 -6.309 1.00 0.00 O ATOM 365 CB THR A 43 -1.610 2.976 -5.642 1.00 0.00 C ATOM 366 OG1 THR A 43 -2.828 3.271 -6.319 1.00 0.00 O ATOM 367 CG2 THR A 43 -1.821 3.534 -4.233 1.00 0.00 C ATOM 0 H THR A 43 0.724 3.207 -4.854 1.00 0.00 H new ATOM 0 HA THR A 43 -0.295 3.175 -7.315 1.00 0.00 H new ATOM 0 HB THR A 43 -1.318 1.928 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.982 4.239 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.583 2.948 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.885 3.480 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.145 4.573 -4.298 1.00 0.00 H new ATOM 375 N PRO A 44 -0.487 5.512 -8.113 1.00 0.00 N ATOM 376 CA PRO A 44 -0.863 6.778 -8.720 1.00 0.00 C ATOM 377 C PRO A 44 -2.246 6.686 -9.369 1.00 0.00 C ATOM 378 O PRO A 44 -3.090 7.556 -9.164 1.00 0.00 O ATOM 379 CB PRO A 44 0.243 7.078 -9.718 1.00 0.00 C ATOM 380 CG PRO A 44 0.949 5.756 -9.969 1.00 0.00 C ATOM 381 CD PRO A 44 0.511 4.781 -8.888 1.00 0.00 C ATOM 0 HA PRO A 44 -0.954 7.584 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.166 7.484 -10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.935 7.821 -9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.696 5.370 -10.956 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.030 5.890 -9.946 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.090 3.873 -9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.352 4.477 -8.265 1.00 0.00 H new ATOM 389 N LEU A 45 -2.434 5.623 -10.138 1.00 0.00 N ATOM 390 CA LEU A 45 -3.699 5.406 -10.818 1.00 0.00 C ATOM 391 C LEU A 45 -4.847 5.825 -9.896 1.00 0.00 C ATOM 392 O LEU A 45 -5.828 6.412 -10.349 1.00 0.00 O ATOM 393 CB LEU A 45 -3.802 3.961 -11.310 1.00 0.00 C ATOM 394 CG LEU A 45 -3.790 2.881 -10.227 1.00 0.00 C ATOM 395 CD1 LEU A 45 -4.039 1.497 -10.830 1.00 0.00 C ATOM 396 CD2 LEU A 45 -2.491 2.929 -9.419 1.00 0.00 C ATOM 0 H LEU A 45 -1.731 4.903 -10.305 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.763 6.028 -11.711 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.721 3.859 -11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.975 3.771 -11.994 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.607 3.082 -9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.025 0.748 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.010 1.485 -11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.259 1.271 -11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.508 2.151 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.643 2.766 -10.084 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.396 3.904 -8.941 1.00 0.00 H new ATOM 408 N ARG A 46 -4.685 5.506 -8.620 1.00 0.00 N ATOM 409 CA ARG A 46 -5.695 5.842 -7.631 1.00 0.00 C ATOM 410 C ARG A 46 -5.378 7.192 -6.985 1.00 0.00 C ATOM 411 O ARG A 46 -6.279 7.891 -6.525 1.00 0.00 O ATOM 412 CB ARG A 46 -5.778 4.770 -6.543 1.00 0.00 C ATOM 413 CG ARG A 46 -5.796 3.367 -7.154 1.00 0.00 C ATOM 414 CD ARG A 46 -6.588 2.397 -6.276 1.00 0.00 C ATOM 415 NE ARG A 46 -6.418 1.012 -6.772 1.00 0.00 N ATOM 416 CZ ARG A 46 -6.908 -0.080 -6.148 1.00 0.00 C ATOM 417 NH1 ARG A 46 -7.603 0.042 -4.997 1.00 0.00 N ATOM 418 NH2 ARG A 46 -6.696 -1.270 -6.680 1.00 0.00 N ATOM 0 H ARG A 46 -3.870 5.019 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.655 5.898 -8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.927 4.865 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.677 4.922 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.238 3.406 -8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.775 3.005 -7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.247 2.467 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.644 2.667 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.898 0.875 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.761 0.965 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.970 -0.789 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.169 -1.353 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.059 -2.106 -6.222 1.00 0.00 H new ATOM 431 N ARG A 47 -4.094 7.518 -6.972 1.00 0.00 N ATOM 432 CA ARG A 47 -3.646 8.772 -6.390 1.00 0.00 C ATOM 433 C ARG A 47 -4.129 9.952 -7.236 1.00 0.00 C ATOM 434 O ARG A 47 -4.992 10.716 -6.807 1.00 0.00 O ATOM 435 CB ARG A 47 -2.120 8.818 -6.287 1.00 0.00 C ATOM 436 CG ARG A 47 -1.675 9.711 -5.128 1.00 0.00 C ATOM 437 CD ARG A 47 -1.044 8.883 -4.008 1.00 0.00 C ATOM 438 NE ARG A 47 0.300 8.418 -4.418 1.00 0.00 N ATOM 439 CZ ARG A 47 1.424 9.157 -4.303 1.00 0.00 C ATOM 440 NH1 ARG A 47 1.374 10.405 -3.789 1.00 0.00 N ATOM 441 NH2 ARG A 47 2.572 8.642 -4.701 1.00 0.00 N ATOM 0 H ARG A 47 -3.349 6.936 -7.355 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.068 8.842 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.731 7.810 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.700 9.192 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.958 10.449 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.531 10.262 -4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.970 9.481 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.678 8.028 -3.775 1.00 0.00 H new ATOM 0 HE ARG A 47 0.382 7.481 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.482 10.796 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.228 10.957 -3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.601 7.699 -5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.430 9.187 -4.621 1.00 0.00 H new ATOM 454 N LEU A 48 -3.551 10.064 -8.423 1.00 0.00 N ATOM 455 CA LEU A 48 -3.911 11.137 -9.333 1.00 0.00 C ATOM 456 C LEU A 48 -5.432 11.171 -9.499 1.00 0.00 C ATOM 457 O LEU A 48 -6.027 12.244 -9.582 1.00 0.00 O ATOM 458 CB LEU A 48 -3.151 10.998 -10.654 1.00 0.00 C ATOM 459 CG LEU A 48 -2.591 12.294 -11.245 1.00 0.00 C ATOM 460 CD1 LEU A 48 -1.062 12.286 -11.232 1.00 0.00 C ATOM 461 CD2 LEU A 48 -3.151 12.543 -12.648 1.00 0.00 C ATOM 0 H LEU A 48 -2.835 9.428 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.613 12.101 -8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.324 10.304 -10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.818 10.545 -11.388 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.914 13.124 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.690 13.218 -11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.707 12.188 -10.206 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.698 11.446 -11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.738 13.470 -13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.878 11.714 -13.301 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.237 12.622 -12.598 1.00 0.00 H new ATOM 473 N MET A 49 -6.017 9.983 -9.541 1.00 0.00 N ATOM 474 CA MET A 49 -7.456 9.863 -9.696 1.00 0.00 C ATOM 475 C MET A 49 -8.187 10.906 -8.848 1.00 0.00 C ATOM 476 O MET A 49 -9.151 11.518 -9.306 1.00 0.00 O ATOM 477 CB MET A 49 -7.900 8.460 -9.274 1.00 0.00 C ATOM 478 CG MET A 49 -8.861 7.858 -10.300 1.00 0.00 C ATOM 479 SD MET A 49 -10.070 6.835 -9.477 1.00 0.00 S ATOM 480 CE MET A 49 -11.031 8.092 -8.652 1.00 0.00 C ATOM 0 H MET A 49 -5.520 9.095 -9.470 1.00 0.00 H new ATOM 0 HA MET A 49 -7.705 10.033 -10.743 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.028 7.816 -9.166 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.385 8.506 -8.299 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.361 8.653 -10.853 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.306 7.266 -11.027 1.00 0.00 H new ATOM 0 HE1 MET A 49 -12.066 7.761 -8.566 1.00 0.00 H new ATOM 0 HE2 MET A 49 -10.622 8.268 -7.657 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.993 9.016 -9.229 1.00 0.00 H new ATOM 490 N GLU A 50 -7.701 11.076 -7.627 1.00 0.00 N ATOM 491 CA GLU A 50 -8.296 12.035 -6.712 1.00 0.00 C ATOM 492 C GLU A 50 -7.461 13.316 -6.668 1.00 0.00 C ATOM 493 O GLU A 50 -8.008 14.418 -6.666 1.00 0.00 O ATOM 494 CB GLU A 50 -8.452 11.434 -5.314 1.00 0.00 C ATOM 495 CG GLU A 50 -9.800 11.817 -4.699 1.00 0.00 C ATOM 496 CD GLU A 50 -10.597 10.572 -4.306 1.00 0.00 C ATOM 497 OE1 GLU A 50 -11.517 10.169 -5.034 1.00 0.00 O ATOM 498 OE2 GLU A 50 -10.231 10.016 -3.201 1.00 0.00 O ATOM 0 H GLU A 50 -6.902 10.566 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.292 12.287 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.369 10.349 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.643 11.783 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.639 12.442 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.373 12.410 -5.411 1.00 0.00 H new ATOM 506 N ALA A 51 -6.150 13.129 -6.634 1.00 0.00 N ATOM 507 CA ALA A 51 -5.234 14.256 -6.590 1.00 0.00 C ATOM 508 C ALA A 51 -5.527 15.191 -7.765 1.00 0.00 C ATOM 509 O ALA A 51 -5.960 16.325 -7.567 1.00 0.00 O ATOM 510 CB ALA A 51 -3.793 13.743 -6.598 1.00 0.00 C ATOM 0 H ALA A 51 -5.700 12.214 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.371 14.827 -5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.106 14.588 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.628 13.107 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.617 13.167 -7.507 1.00 0.00 H new ATOM 516 N PHE A 52 -5.278 14.681 -8.962 1.00 0.00 N ATOM 517 CA PHE A 52 -5.509 15.457 -10.169 1.00 0.00 C ATOM 518 C PHE A 52 -6.955 15.955 -10.232 1.00 0.00 C ATOM 519 O PHE A 52 -7.268 16.868 -10.994 1.00 0.00 O ATOM 520 CB PHE A 52 -5.251 14.526 -11.355 1.00 0.00 C ATOM 521 CG PHE A 52 -6.373 14.517 -12.395 1.00 0.00 C ATOM 522 CD1 PHE A 52 -6.625 15.631 -13.134 1.00 0.00 C ATOM 523 CD2 PHE A 52 -7.120 13.395 -12.580 1.00 0.00 C ATOM 524 CE1 PHE A 52 -7.666 15.623 -14.099 1.00 0.00 C ATOM 525 CE2 PHE A 52 -8.162 13.387 -13.545 1.00 0.00 C ATOM 526 CZ PHE A 52 -8.413 14.501 -14.284 1.00 0.00 C ATOM 0 H PHE A 52 -4.919 13.740 -9.122 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.852 16.327 -10.184 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.322 14.823 -11.841 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.106 13.512 -10.983 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.033 16.522 -12.986 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.921 12.511 -11.993 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.865 16.507 -14.686 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.755 12.496 -13.692 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.205 14.495 -15.018 1.00 0.00 H new ATOM 536 N ALA A 53 -7.797 15.333 -9.420 1.00 0.00 N ATOM 537 CA ALA A 53 -9.202 15.701 -9.374 1.00 0.00 C ATOM 538 C ALA A 53 -9.450 16.597 -8.159 1.00 0.00 C ATOM 539 O ALA A 53 -10.578 17.026 -7.920 1.00 0.00 O ATOM 540 CB ALA A 53 -10.062 14.436 -9.352 1.00 0.00 C ATOM 0 H ALA A 53 -7.533 14.577 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.480 16.267 -10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.116 14.713 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.870 13.850 -10.251 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.814 13.843 -8.472 1.00 0.00 H new ATOM 546 N LYS A 54 -8.378 16.851 -7.423 1.00 0.00 N ATOM 547 CA LYS A 54 -8.466 17.687 -6.238 1.00 0.00 C ATOM 548 C LYS A 54 -8.050 19.116 -6.595 1.00 0.00 C ATOM 549 O LYS A 54 -8.467 20.070 -5.940 1.00 0.00 O ATOM 550 CB LYS A 54 -7.655 17.080 -5.092 1.00 0.00 C ATOM 551 CG LYS A 54 -8.306 17.379 -3.740 1.00 0.00 C ATOM 552 CD LYS A 54 -9.593 16.571 -3.561 1.00 0.00 C ATOM 553 CE LYS A 54 -9.863 16.291 -2.081 1.00 0.00 C ATOM 554 NZ LYS A 54 -9.194 15.039 -1.660 1.00 0.00 N ATOM 0 H LYS A 54 -7.444 16.493 -7.624 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.495 17.733 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.574 16.002 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.641 17.480 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.609 17.142 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.528 18.444 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.433 17.118 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.514 15.629 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.504 17.123 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.937 16.212 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.387 14.864 -0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.556 14.245 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.168 15.128 -1.805 1.00 0.00 H new ATOM 567 N ARG A 55 -7.234 19.218 -7.634 1.00 0.00 N ATOM 568 CA ARG A 55 -6.758 20.514 -8.087 1.00 0.00 C ATOM 569 C ARG A 55 -7.553 20.975 -9.310 1.00 0.00 C ATOM 570 O ARG A 55 -8.064 22.094 -9.337 1.00 0.00 O ATOM 571 CB ARG A 55 -5.271 20.460 -8.444 1.00 0.00 C ATOM 572 CG ARG A 55 -4.581 21.788 -8.123 1.00 0.00 C ATOM 573 CD ARG A 55 -4.459 22.659 -9.375 1.00 0.00 C ATOM 574 NE ARG A 55 -3.901 23.982 -9.018 1.00 0.00 N ATOM 575 CZ ARG A 55 -4.602 24.958 -8.402 1.00 0.00 C ATOM 576 NH1 ARG A 55 -5.896 24.765 -8.069 1.00 0.00 N ATOM 577 NH2 ARG A 55 -4.003 26.102 -8.130 1.00 0.00 N ATOM 0 H ARG A 55 -6.890 18.424 -8.175 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.899 21.223 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.790 19.653 -7.891 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.156 20.233 -9.504 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.147 22.321 -7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.590 21.597 -7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.817 22.170 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.437 22.781 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.926 24.168 -9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.351 23.877 -8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.419 25.507 -7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.025 26.239 -8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.518 26.850 -7.665 1.00 0.00 H new ATOM 590 N GLN A 56 -7.634 20.089 -10.291 1.00 0.00 N ATOM 591 CA GLN A 56 -8.359 20.390 -11.514 1.00 0.00 C ATOM 592 C GLN A 56 -9.796 19.873 -11.421 1.00 0.00 C ATOM 593 O GLN A 56 -10.730 20.540 -11.862 1.00 0.00 O ATOM 594 CB GLN A 56 -7.644 19.806 -12.734 1.00 0.00 C ATOM 595 CG GLN A 56 -8.288 20.293 -14.033 1.00 0.00 C ATOM 596 CD GLN A 56 -8.249 21.820 -14.125 1.00 0.00 C ATOM 597 OE1 GLN A 56 -7.592 22.498 -13.352 1.00 0.00 O ATOM 598 NE2 GLN A 56 -8.988 22.322 -15.111 1.00 0.00 N ATOM 0 H GLN A 56 -7.209 19.162 -10.264 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.391 21.473 -11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.593 20.093 -12.715 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.678 18.717 -12.693 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.766 19.860 -14.886 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.321 19.948 -14.083 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.514 21.698 -15.723 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.028 23.331 -15.255 1.00 0.00 H new ATOM 607 N GLY A 57 -9.927 18.688 -10.843 1.00 0.00 N ATOM 608 CA GLY A 57 -11.235 18.073 -10.687 1.00 0.00 C ATOM 609 C GLY A 57 -12.247 19.073 -10.125 1.00 0.00 C ATOM 610 O GLY A 57 -13.453 18.911 -10.308 1.00 0.00 O ATOM 0 H GLY A 57 -9.150 18.138 -10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.583 17.700 -11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.160 17.213 -10.021 1.00 0.00 H new ATOM 614 N LYS A 58 -11.720 20.085 -9.452 1.00 0.00 N ATOM 615 CA LYS A 58 -12.563 21.112 -8.863 1.00 0.00 C ATOM 616 C LYS A 58 -13.396 21.775 -9.962 1.00 0.00 C ATOM 617 O LYS A 58 -14.522 22.205 -9.718 1.00 0.00 O ATOM 618 CB LYS A 58 -11.719 22.097 -8.052 1.00 0.00 C ATOM 619 CG LYS A 58 -12.379 22.407 -6.707 1.00 0.00 C ATOM 620 CD LYS A 58 -13.575 23.345 -6.886 1.00 0.00 C ATOM 621 CE LYS A 58 -14.829 22.767 -6.226 1.00 0.00 C ATOM 622 NZ LYS A 58 -15.645 23.848 -5.629 1.00 0.00 N ATOM 0 H LYS A 58 -10.720 20.216 -9.301 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.264 20.670 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.726 21.680 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.587 23.019 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.707 21.480 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.651 22.864 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.347 24.318 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.760 23.506 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.418 22.224 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.544 22.050 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.492 23.439 -5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.085 24.349 -4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.932 24.517 -6.372 1.00 0.00 H new ATOM 635 N GLU A 59 -12.810 21.837 -11.148 1.00 0.00 N ATOM 636 CA GLU A 59 -13.484 22.440 -12.285 1.00 0.00 C ATOM 637 C GLU A 59 -14.090 21.356 -13.179 1.00 0.00 C ATOM 638 O GLU A 59 -14.872 21.656 -14.081 1.00 0.00 O ATOM 639 CB GLU A 59 -12.528 23.334 -13.078 1.00 0.00 C ATOM 640 CG GLU A 59 -13.282 24.486 -13.746 1.00 0.00 C ATOM 641 CD GLU A 59 -13.216 25.753 -12.890 1.00 0.00 C ATOM 642 OE1 GLU A 59 -12.946 25.672 -11.683 1.00 0.00 O ATOM 643 OE2 GLU A 59 -13.458 26.851 -13.523 1.00 0.00 O ATOM 0 H GLU A 59 -11.876 21.480 -11.347 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.292 23.069 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.762 23.733 -12.413 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.015 22.742 -13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.854 24.684 -14.729 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.323 24.202 -13.902 1.00 0.00 H new ATOM 651 N MET A 60 -13.707 20.120 -12.898 1.00 0.00 N ATOM 652 CA MET A 60 -14.203 18.990 -13.665 1.00 0.00 C ATOM 653 C MET A 60 -14.322 19.345 -15.149 1.00 0.00 C ATOM 654 O MET A 60 -15.170 18.800 -15.855 1.00 0.00 O ATOM 655 CB MET A 60 -15.573 18.570 -13.129 1.00 0.00 C ATOM 656 CG MET A 60 -15.487 17.234 -12.390 1.00 0.00 C ATOM 657 SD MET A 60 -15.214 15.909 -13.554 1.00 0.00 S ATOM 658 CE MET A 60 -13.816 15.105 -12.788 1.00 0.00 C ATOM 0 H MET A 60 -13.059 19.876 -12.149 1.00 0.00 H new ATOM 0 HA MET A 60 -13.496 18.167 -13.563 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.955 19.338 -12.456 1.00 0.00 H new ATOM 0 HB3 MET A 60 -16.281 18.488 -13.954 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.676 17.263 -11.663 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.408 17.057 -11.834 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.514 14.248 -13.390 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.986 15.808 -12.716 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.093 14.767 -11.790 1.00 0.00 H new ATOM 668 N ASP A 61 -13.461 20.255 -15.578 1.00 0.00 N ATOM 669 CA ASP A 61 -13.459 20.689 -16.965 1.00 0.00 C ATOM 670 C ASP A 61 -12.423 19.878 -17.746 1.00 0.00 C ATOM 671 O ASP A 61 -12.371 19.949 -18.973 1.00 0.00 O ATOM 672 CB ASP A 61 -13.085 22.168 -17.079 1.00 0.00 C ATOM 673 CG ASP A 61 -14.146 23.054 -17.735 1.00 0.00 C ATOM 674 OD1 ASP A 61 -15.298 22.637 -17.925 1.00 0.00 O ATOM 675 OD2 ASP A 61 -13.744 24.235 -18.061 1.00 0.00 O ATOM 0 H ASP A 61 -12.759 20.704 -14.990 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.461 20.539 -17.367 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.878 22.553 -16.080 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.160 22.251 -17.650 1.00 0.00 H new ATOM 681 N SER A 62 -11.623 19.126 -17.004 1.00 0.00 N ATOM 682 CA SER A 62 -10.592 18.303 -17.612 1.00 0.00 C ATOM 683 C SER A 62 -10.871 16.825 -17.334 1.00 0.00 C ATOM 684 O SER A 62 -11.010 16.422 -16.181 1.00 0.00 O ATOM 685 CB SER A 62 -9.204 18.688 -17.096 1.00 0.00 C ATOM 686 OG SER A 62 -8.893 18.037 -15.867 1.00 0.00 O ATOM 0 H SER A 62 -11.668 19.070 -15.987 1.00 0.00 H new ATOM 0 HA SER A 62 -10.609 18.473 -18.689 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.454 18.429 -17.844 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.155 19.768 -16.957 1.00 0.00 H new ATOM 0 HG SER A 62 -9.596 17.388 -15.654 1.00 0.00 H new ATOM 692 N LEU A 63 -10.944 16.057 -18.411 1.00 0.00 N ATOM 693 CA LEU A 63 -11.204 14.632 -18.298 1.00 0.00 C ATOM 694 C LEU A 63 -10.272 13.871 -19.243 1.00 0.00 C ATOM 695 O LEU A 63 -10.683 12.900 -19.878 1.00 0.00 O ATOM 696 CB LEU A 63 -12.688 14.337 -18.528 1.00 0.00 C ATOM 697 CG LEU A 63 -13.538 15.515 -19.009 1.00 0.00 C ATOM 698 CD1 LEU A 63 -14.805 15.025 -19.713 1.00 0.00 C ATOM 699 CD2 LEU A 63 -13.856 16.468 -17.855 1.00 0.00 C ATOM 0 H LEU A 63 -10.828 16.395 -19.366 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.987 14.285 -17.288 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.769 13.533 -19.259 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.113 13.964 -17.596 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.959 16.078 -19.742 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -15.391 15.882 -20.045 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.530 14.417 -20.575 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.397 14.426 -19.021 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.461 17.296 -18.223 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.407 15.932 -17.082 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.927 16.855 -17.436 1.00 0.00 H new ATOM 711 N ARG A 64 -9.035 14.340 -19.308 1.00 0.00 N ATOM 712 CA ARG A 64 -8.041 13.717 -20.165 1.00 0.00 C ATOM 713 C ARG A 64 -6.863 13.209 -19.331 1.00 0.00 C ATOM 714 O ARG A 64 -5.994 13.987 -18.940 1.00 0.00 O ATOM 715 CB ARG A 64 -7.526 14.701 -21.217 1.00 0.00 C ATOM 716 CG ARG A 64 -6.907 13.960 -22.404 1.00 0.00 C ATOM 717 CD ARG A 64 -7.992 13.407 -23.331 1.00 0.00 C ATOM 718 NE ARG A 64 -7.765 13.882 -24.715 1.00 0.00 N ATOM 719 CZ ARG A 64 -8.189 13.230 -25.818 1.00 0.00 C ATOM 720 NH1 ARG A 64 -8.867 12.068 -25.708 1.00 0.00 N ATOM 721 NH2 ARG A 64 -7.932 13.746 -27.005 1.00 0.00 N ATOM 0 H ARG A 64 -8.698 15.145 -18.780 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.519 12.879 -20.672 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.346 15.330 -21.564 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.784 15.362 -20.769 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.258 14.636 -22.961 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.282 13.144 -22.042 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.983 12.317 -23.306 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.975 13.726 -22.985 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.256 14.757 -24.843 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.062 11.677 -24.786 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.184 11.581 -26.546 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.420 14.625 -27.079 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.245 13.266 -27.849 1.00 0.00 H new ATOM 734 N PHE A 65 -6.872 11.908 -19.083 1.00 0.00 N ATOM 735 CA PHE A 65 -5.815 11.288 -18.302 1.00 0.00 C ATOM 736 C PHE A 65 -4.788 10.609 -19.210 1.00 0.00 C ATOM 737 O PHE A 65 -5.106 9.637 -19.894 1.00 0.00 O ATOM 738 CB PHE A 65 -6.476 10.228 -17.418 1.00 0.00 C ATOM 739 CG PHE A 65 -7.133 9.088 -18.198 1.00 0.00 C ATOM 740 CD1 PHE A 65 -8.399 9.232 -18.674 1.00 0.00 C ATOM 741 CD2 PHE A 65 -6.452 7.931 -18.417 1.00 0.00 C ATOM 742 CE1 PHE A 65 -9.010 8.174 -19.399 1.00 0.00 C ATOM 743 CE2 PHE A 65 -7.063 6.874 -19.141 1.00 0.00 C ATOM 744 CZ PHE A 65 -8.329 7.017 -19.617 1.00 0.00 C ATOM 0 H PHE A 65 -7.594 11.266 -19.409 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.295 12.044 -17.713 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.726 9.810 -16.747 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.229 10.709 -16.794 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.940 10.151 -18.501 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.446 7.817 -18.040 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.015 8.288 -19.777 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.522 5.955 -19.314 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.793 6.212 -20.168 1.00 0.00 H new ATOM 754 N LEU A 66 -3.578 11.148 -19.188 1.00 0.00 N ATOM 755 CA LEU A 66 -2.503 10.607 -20.001 1.00 0.00 C ATOM 756 C LEU A 66 -1.159 11.073 -19.438 1.00 0.00 C ATOM 757 O LEU A 66 -1.116 11.908 -18.535 1.00 0.00 O ATOM 758 CB LEU A 66 -2.711 10.968 -21.474 1.00 0.00 C ATOM 759 CG LEU A 66 -2.098 12.292 -21.933 1.00 0.00 C ATOM 760 CD1 LEU A 66 -0.577 12.178 -22.060 1.00 0.00 C ATOM 761 CD2 LEU A 66 -2.747 12.776 -23.231 1.00 0.00 C ATOM 0 H LEU A 66 -3.318 11.954 -18.620 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.506 9.518 -19.960 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.296 10.167 -22.086 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.782 10.998 -21.672 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.302 13.045 -21.171 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.167 13.133 -22.388 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.150 11.912 -21.093 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.330 11.407 -22.790 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.293 13.719 -23.535 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.596 12.032 -24.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.815 12.923 -23.071 1.00 0.00 H new ATOM 773 N TYR A 67 -0.094 10.514 -19.994 1.00 0.00 N ATOM 774 CA TYR A 67 1.247 10.862 -19.558 1.00 0.00 C ATOM 775 C TYR A 67 2.037 11.523 -20.689 1.00 0.00 C ATOM 776 O TYR A 67 2.649 12.572 -20.493 1.00 0.00 O ATOM 777 CB TYR A 67 1.925 9.542 -19.183 1.00 0.00 C ATOM 778 CG TYR A 67 3.420 9.672 -18.888 1.00 0.00 C ATOM 779 CD1 TYR A 67 4.302 9.965 -19.908 1.00 0.00 C ATOM 780 CD2 TYR A 67 3.887 9.497 -17.601 1.00 0.00 C ATOM 781 CE1 TYR A 67 5.710 10.088 -19.630 1.00 0.00 C ATOM 782 CE2 TYR A 67 5.295 9.619 -17.323 1.00 0.00 C ATOM 783 CZ TYR A 67 6.137 9.908 -18.351 1.00 0.00 C ATOM 784 OH TYR A 67 7.466 10.024 -18.089 1.00 0.00 O ATOM 0 H TYR A 67 -0.133 9.822 -20.743 1.00 0.00 H new ATOM 0 HA TYR A 67 1.209 11.564 -18.725 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.427 9.126 -18.307 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.786 8.830 -19.997 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.937 10.102 -20.915 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.197 9.269 -16.802 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.411 10.318 -20.419 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.674 9.484 -16.321 1.00 0.00 H new ATOM 0 HH TYR A 67 7.626 9.871 -17.134 1.00 0.00 H new ATOM 794 N ASP A 68 1.998 10.882 -21.848 1.00 0.00 N ATOM 795 CA ASP A 68 2.702 11.395 -23.011 1.00 0.00 C ATOM 796 C ASP A 68 1.689 11.964 -24.006 1.00 0.00 C ATOM 797 O ASP A 68 1.563 13.180 -24.143 1.00 0.00 O ATOM 798 CB ASP A 68 3.484 10.285 -23.715 1.00 0.00 C ATOM 799 CG ASP A 68 4.928 10.110 -23.241 1.00 0.00 C ATOM 800 OD1 ASP A 68 5.411 10.856 -22.376 1.00 0.00 O ATOM 801 OD2 ASP A 68 5.574 9.146 -23.805 1.00 0.00 O ATOM 0 H ASP A 68 1.490 10.012 -22.007 1.00 0.00 H new ATOM 0 HA ASP A 68 3.395 12.166 -22.673 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.955 9.343 -23.574 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.491 10.489 -24.786 1.00 0.00 H new ATOM 807 N GLY A 69 0.992 11.057 -24.675 1.00 0.00 N ATOM 808 CA GLY A 69 -0.007 11.454 -25.654 1.00 0.00 C ATOM 809 C GLY A 69 -0.761 10.236 -26.191 1.00 0.00 C ATOM 810 O GLY A 69 -1.098 10.182 -27.373 1.00 0.00 O ATOM 0 H GLY A 69 1.099 10.049 -24.559 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.711 12.151 -25.199 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.475 11.980 -26.478 1.00 0.00 H new ATOM 814 N ILE A 70 -1.004 9.288 -25.297 1.00 0.00 N ATOM 815 CA ILE A 70 -1.713 8.075 -25.667 1.00 0.00 C ATOM 816 C ILE A 70 -2.418 7.506 -24.434 1.00 0.00 C ATOM 817 O ILE A 70 -2.386 6.299 -24.198 1.00 0.00 O ATOM 818 CB ILE A 70 -0.762 7.085 -26.343 1.00 0.00 C ATOM 819 CG1 ILE A 70 0.191 6.457 -25.324 1.00 0.00 C ATOM 820 CG2 ILE A 70 -0.011 7.748 -27.499 1.00 0.00 C ATOM 821 CD1 ILE A 70 1.535 7.189 -25.307 1.00 0.00 C ATOM 0 H ILE A 70 -0.722 9.336 -24.318 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.486 8.294 -26.404 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.356 6.276 -26.768 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.258 6.491 -24.331 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.348 5.406 -25.567 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.658 7.023 -27.962 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.726 8.106 -28.239 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.571 8.588 -27.120 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.194 6.723 -24.574 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.993 7.132 -26.295 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.377 8.234 -25.040 1.00 0.00 H new ATOM 833 N ARG A 71 -3.039 8.402 -23.681 1.00 0.00 N ATOM 834 CA ARG A 71 -3.751 8.004 -22.479 1.00 0.00 C ATOM 835 C ARG A 71 -2.924 6.994 -21.681 1.00 0.00 C ATOM 836 O ARG A 71 -3.388 5.890 -21.400 1.00 0.00 O ATOM 837 CB ARG A 71 -5.108 7.385 -22.821 1.00 0.00 C ATOM 838 CG ARG A 71 -4.944 6.200 -23.775 1.00 0.00 C ATOM 839 CD ARG A 71 -6.279 5.485 -23.996 1.00 0.00 C ATOM 840 NE ARG A 71 -6.488 5.239 -25.440 1.00 0.00 N ATOM 841 CZ ARG A 71 -7.481 4.473 -25.941 1.00 0.00 C ATOM 842 NH1 ARG A 71 -8.365 3.872 -25.117 1.00 0.00 N ATOM 843 NH2 ARG A 71 -7.575 4.322 -27.249 1.00 0.00 N ATOM 0 H ARG A 71 -3.064 9.402 -23.880 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.914 8.900 -21.879 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.602 7.055 -21.907 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.751 8.138 -23.277 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.552 6.549 -24.730 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.215 5.499 -23.368 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.289 4.540 -23.452 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.095 6.090 -23.600 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.842 5.675 -26.098 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.286 3.995 -24.107 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.112 3.295 -25.504 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.904 4.781 -27.865 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.319 3.747 -27.644 1.00 0.00 H new ATOM 856 N ILE A 72 -1.713 7.408 -21.339 1.00 0.00 N ATOM 857 CA ILE A 72 -0.816 6.553 -20.580 1.00 0.00 C ATOM 858 C ILE A 72 -0.562 7.180 -19.207 1.00 0.00 C ATOM 859 O ILE A 72 -0.842 8.359 -18.997 1.00 0.00 O ATOM 860 CB ILE A 72 0.461 6.275 -21.375 1.00 0.00 C ATOM 861 CG1 ILE A 72 0.999 7.558 -22.013 1.00 0.00 C ATOM 862 CG2 ILE A 72 0.234 5.172 -22.409 1.00 0.00 C ATOM 863 CD1 ILE A 72 2.525 7.617 -21.921 1.00 0.00 C ATOM 0 H ILE A 72 -1.332 8.325 -21.574 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.274 5.579 -20.407 1.00 0.00 H new ATOM 0 HB ILE A 72 1.223 5.915 -20.683 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.692 7.605 -23.058 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.567 8.426 -21.514 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.157 4.994 -22.960 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.069 4.255 -21.903 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.549 5.479 -23.102 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.882 8.538 -22.382 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.828 7.594 -20.874 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.954 6.761 -22.442 1.00 0.00 H new ATOM 875 N GLN A 73 -0.035 6.362 -18.307 1.00 0.00 N ATOM 876 CA GLN A 73 0.260 6.822 -16.961 1.00 0.00 C ATOM 877 C GLN A 73 1.714 6.511 -16.601 1.00 0.00 C ATOM 878 O GLN A 73 2.442 5.921 -17.397 1.00 0.00 O ATOM 879 CB GLN A 73 -0.701 6.199 -15.946 1.00 0.00 C ATOM 880 CG GLN A 73 -2.137 6.666 -16.193 1.00 0.00 C ATOM 881 CD GLN A 73 -2.887 6.854 -14.872 1.00 0.00 C ATOM 882 OE1 GLN A 73 -2.342 6.700 -13.792 1.00 0.00 O ATOM 883 NE2 GLN A 73 -4.164 7.194 -15.019 1.00 0.00 N ATOM 0 H GLN A 73 0.195 5.384 -18.484 1.00 0.00 H new ATOM 0 HA GLN A 73 0.121 7.903 -16.928 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.652 5.112 -16.013 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.395 6.471 -14.936 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.128 7.605 -16.747 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.659 5.936 -16.811 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.557 7.307 -15.953 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.750 7.342 -14.197 1.00 0.00 H new ATOM 892 N ALA A 74 2.094 6.923 -15.400 1.00 0.00 N ATOM 893 CA ALA A 74 3.448 6.696 -14.924 1.00 0.00 C ATOM 894 C ALA A 74 3.540 5.300 -14.306 1.00 0.00 C ATOM 895 O ALA A 74 4.073 4.378 -14.922 1.00 0.00 O ATOM 896 CB ALA A 74 3.833 7.798 -13.935 1.00 0.00 C ATOM 0 H ALA A 74 1.487 7.413 -14.742 1.00 0.00 H new ATOM 0 HA ALA A 74 4.157 6.737 -15.751 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.849 7.628 -13.578 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.781 8.767 -14.431 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.144 7.785 -13.090 1.00 0.00 H new ATOM 902 N ASP A 75 3.012 5.187 -13.096 1.00 0.00 N ATOM 903 CA ASP A 75 3.027 3.918 -12.388 1.00 0.00 C ATOM 904 C ASP A 75 1.589 3.467 -12.127 1.00 0.00 C ATOM 905 O ASP A 75 1.256 3.053 -11.017 1.00 0.00 O ATOM 906 CB ASP A 75 3.734 4.050 -11.038 1.00 0.00 C ATOM 907 CG ASP A 75 4.747 5.193 -10.947 1.00 0.00 C ATOM 908 OD1 ASP A 75 5.955 4.964 -10.784 1.00 0.00 O ATOM 909 OD2 ASP A 75 4.245 6.376 -11.053 1.00 0.00 O ATOM 0 H ASP A 75 2.571 5.954 -12.588 1.00 0.00 H new ATOM 0 HA ASP A 75 3.559 3.194 -13.005 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.981 4.190 -10.263 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.246 3.113 -10.820 1.00 0.00 H new ATOM 915 N GLN A 76 0.774 3.563 -13.167 1.00 0.00 N ATOM 916 CA GLN A 76 -0.621 3.170 -13.064 1.00 0.00 C ATOM 917 C GLN A 76 -0.732 1.664 -12.820 1.00 0.00 C ATOM 918 O GLN A 76 -1.813 1.157 -12.527 1.00 0.00 O ATOM 919 CB GLN A 76 -1.400 3.582 -14.315 1.00 0.00 C ATOM 920 CG GLN A 76 -2.768 2.896 -14.359 1.00 0.00 C ATOM 921 CD GLN A 76 -2.784 1.772 -15.397 1.00 0.00 C ATOM 922 OE1 GLN A 76 -2.998 1.986 -16.579 1.00 0.00 O ATOM 923 NE2 GLN A 76 -2.547 0.565 -14.890 1.00 0.00 N ATOM 0 H GLN A 76 1.053 3.907 -14.086 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.063 3.689 -12.213 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.531 4.664 -14.326 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.829 3.321 -15.206 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.008 2.491 -13.376 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.539 3.629 -14.599 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.375 0.456 -13.890 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.537 -0.252 -15.501 1.00 0.00 H new ATOM 932 N THR A 77 0.402 0.991 -12.949 1.00 0.00 N ATOM 933 CA THR A 77 0.446 -0.447 -12.746 1.00 0.00 C ATOM 934 C THR A 77 0.427 -0.775 -11.252 1.00 0.00 C ATOM 935 O THR A 77 1.006 -0.049 -10.445 1.00 0.00 O ATOM 936 CB THR A 77 1.679 -0.989 -13.471 1.00 0.00 C ATOM 937 OG1 THR A 77 1.751 -0.211 -14.663 1.00 0.00 O ATOM 938 CG2 THR A 77 1.481 -2.421 -13.973 1.00 0.00 C ATOM 0 H THR A 77 1.297 1.415 -13.192 1.00 0.00 H new ATOM 0 HA THR A 77 -0.435 -0.933 -13.165 1.00 0.00 H new ATOM 0 HB THR A 77 2.538 -0.954 -12.801 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.525 -0.495 -15.193 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.386 -2.757 -14.480 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.273 -3.077 -13.128 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.643 -2.450 -14.669 1.00 0.00 H new ATOM 946 N PRO A 78 -0.262 -1.900 -10.919 1.00 0.00 N ATOM 947 CA PRO A 78 -0.365 -2.333 -9.536 1.00 0.00 C ATOM 948 C PRO A 78 0.949 -2.955 -9.058 1.00 0.00 C ATOM 949 O PRO A 78 1.159 -3.125 -7.858 1.00 0.00 O ATOM 950 CB PRO A 78 -1.528 -3.312 -9.516 1.00 0.00 C ATOM 951 CG PRO A 78 -1.735 -3.743 -10.959 1.00 0.00 C ATOM 952 CD PRO A 78 -0.960 -2.784 -11.848 1.00 0.00 C ATOM 0 HA PRO A 78 -0.546 -1.507 -8.848 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.306 -4.169 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.427 -2.843 -9.116 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.387 -4.765 -11.106 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.795 -3.728 -11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.259 -3.318 -12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.628 -2.223 -12.502 1.00 0.00 H new ATOM 960 N GLU A 79 1.798 -3.279 -10.022 1.00 0.00 N ATOM 961 CA GLU A 79 3.086 -3.879 -9.714 1.00 0.00 C ATOM 962 C GLU A 79 4.195 -2.830 -9.805 1.00 0.00 C ATOM 963 O GLU A 79 5.060 -2.759 -8.932 1.00 0.00 O ATOM 964 CB GLU A 79 3.374 -5.063 -10.640 1.00 0.00 C ATOM 965 CG GLU A 79 4.571 -5.872 -10.138 1.00 0.00 C ATOM 966 CD GLU A 79 5.431 -6.361 -11.306 1.00 0.00 C ATOM 967 OE1 GLU A 79 4.904 -6.616 -12.399 1.00 0.00 O ATOM 968 OE2 GLU A 79 6.689 -6.473 -11.047 1.00 0.00 O ATOM 0 H GLU A 79 1.620 -3.138 -11.016 1.00 0.00 H new ATOM 0 HA GLU A 79 3.054 -4.258 -8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.495 -5.705 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.572 -4.701 -11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.175 -5.258 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.220 -6.725 -9.558 1.00 0.00 H new ATOM 976 N ASP A 80 4.136 -2.042 -10.868 1.00 0.00 N ATOM 977 CA ASP A 80 5.125 -1.000 -11.084 1.00 0.00 C ATOM 978 C ASP A 80 5.198 -0.107 -9.844 1.00 0.00 C ATOM 979 O ASP A 80 6.279 0.332 -9.454 1.00 0.00 O ATOM 980 CB ASP A 80 4.747 -0.121 -12.278 1.00 0.00 C ATOM 981 CG ASP A 80 5.824 0.874 -12.714 1.00 0.00 C ATOM 982 OD1 ASP A 80 7.012 0.531 -12.805 1.00 0.00 O ATOM 983 OD2 ASP A 80 5.396 2.064 -12.970 1.00 0.00 O ATOM 0 H ASP A 80 3.418 -2.104 -11.590 1.00 0.00 H new ATOM 0 HA ASP A 80 6.084 -1.480 -11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.506 -0.766 -13.123 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.841 0.432 -12.030 1.00 0.00 H new ATOM 989 N LEU A 81 4.034 0.134 -9.258 1.00 0.00 N ATOM 990 CA LEU A 81 3.953 0.966 -8.070 1.00 0.00 C ATOM 991 C LEU A 81 4.792 0.339 -6.955 1.00 0.00 C ATOM 992 O LEU A 81 5.487 1.045 -6.225 1.00 0.00 O ATOM 993 CB LEU A 81 2.492 1.203 -7.681 1.00 0.00 C ATOM 994 CG LEU A 81 1.755 0.004 -7.080 1.00 0.00 C ATOM 995 CD1 LEU A 81 2.023 -0.107 -5.577 1.00 0.00 C ATOM 996 CD2 LEU A 81 0.259 0.067 -7.392 1.00 0.00 C ATOM 0 H LEU A 81 3.140 -0.232 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 81 4.371 1.953 -8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.456 2.023 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.949 1.531 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 81 2.143 -0.903 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.488 -0.967 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.092 -0.233 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.680 0.800 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.241 -0.797 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.162 0.981 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.112 0.061 -8.472 1.00 0.00 H new ATOM 1008 N ASP A 82 4.701 -0.979 -6.858 1.00 0.00 N ATOM 1009 CA ASP A 82 5.443 -1.709 -5.845 1.00 0.00 C ATOM 1010 C ASP A 82 6.933 -1.683 -6.193 1.00 0.00 C ATOM 1011 O ASP A 82 7.778 -1.954 -5.341 1.00 0.00 O ATOM 1012 CB ASP A 82 4.998 -3.171 -5.781 1.00 0.00 C ATOM 1013 CG ASP A 82 5.515 -3.953 -4.573 1.00 0.00 C ATOM 1014 OD1 ASP A 82 5.825 -5.150 -4.671 1.00 0.00 O ATOM 1015 OD2 ASP A 82 5.597 -3.274 -3.479 1.00 0.00 O ATOM 0 H ASP A 82 4.124 -1.561 -7.465 1.00 0.00 H new ATOM 0 HA ASP A 82 5.256 -1.233 -4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.908 -3.203 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.328 -3.675 -6.689 1.00 0.00 H new ATOM 1021 N MET A 83 7.209 -1.355 -7.446 1.00 0.00 N ATOM 1022 CA MET A 83 8.582 -1.291 -7.917 1.00 0.00 C ATOM 1023 C MET A 83 9.077 0.156 -7.970 1.00 0.00 C ATOM 1024 O MET A 83 9.789 0.606 -7.074 1.00 0.00 O ATOM 1025 CB MET A 83 8.673 -1.913 -9.312 1.00 0.00 C ATOM 1026 CG MET A 83 8.292 -3.394 -9.278 1.00 0.00 C ATOM 1027 SD MET A 83 9.688 -4.372 -8.746 1.00 0.00 S ATOM 1028 CE MET A 83 9.584 -4.126 -6.981 1.00 0.00 C ATOM 0 H MET A 83 6.506 -1.131 -8.150 1.00 0.00 H new ATOM 0 HA MET A 83 9.211 -1.845 -7.220 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.013 -1.380 -9.996 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.687 -1.803 -9.697 1.00 0.00 H new ATOM 0 HG2 MET A 83 7.452 -3.546 -8.601 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.967 -3.717 -10.267 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.857 -5.048 -6.468 1.00 0.00 H new ATOM 0 HE2 MET A 83 10.267 -3.330 -6.684 1.00 0.00 H new ATOM 0 HE3 MET A 83 8.565 -3.849 -6.712 1.00 0.00 H new ATOM 1038 N GLU A 84 8.680 0.845 -9.030 1.00 0.00 N ATOM 1039 CA GLU A 84 9.073 2.232 -9.212 1.00 0.00 C ATOM 1040 C GLU A 84 8.576 3.083 -8.041 1.00 0.00 C ATOM 1041 O GLU A 84 7.681 2.669 -7.305 1.00 0.00 O ATOM 1042 CB GLU A 84 8.558 2.778 -10.544 1.00 0.00 C ATOM 1043 CG GLU A 84 9.572 3.735 -11.174 1.00 0.00 C ATOM 1044 CD GLU A 84 10.701 2.962 -11.861 1.00 0.00 C ATOM 1045 OE1 GLU A 84 11.079 1.875 -11.399 1.00 0.00 O ATOM 1046 OE2 GLU A 84 11.189 3.529 -12.912 1.00 0.00 O ATOM 0 H GLU A 84 8.090 0.468 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 84 10.162 2.280 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.359 1.952 -11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.612 3.297 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.071 4.376 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.988 4.387 -10.406 1.00 0.00 H new ATOM 1054 N ASP A 85 9.177 4.255 -7.906 1.00 0.00 N ATOM 1055 CA ASP A 85 8.806 5.168 -6.838 1.00 0.00 C ATOM 1056 C ASP A 85 8.841 6.604 -7.364 1.00 0.00 C ATOM 1057 O ASP A 85 9.828 7.314 -7.175 1.00 0.00 O ATOM 1058 CB ASP A 85 9.784 5.070 -5.665 1.00 0.00 C ATOM 1059 CG ASP A 85 11.240 4.808 -6.058 1.00 0.00 C ATOM 1060 OD1 ASP A 85 11.602 4.865 -7.242 1.00 0.00 O ATOM 1061 OD2 ASP A 85 12.028 4.532 -5.075 1.00 0.00 O ATOM 0 H ASP A 85 9.919 4.594 -8.518 1.00 0.00 H new ATOM 0 HA ASP A 85 7.806 4.899 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.738 5.998 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.453 4.271 -5.001 1.00 0.00 H new ATOM 1067 N ASN A 86 7.753 6.989 -8.014 1.00 0.00 N ATOM 1068 CA ASN A 86 7.647 8.328 -8.569 1.00 0.00 C ATOM 1069 C ASN A 86 6.261 8.509 -9.191 1.00 0.00 C ATOM 1070 O ASN A 86 6.048 8.165 -10.352 1.00 0.00 O ATOM 1071 CB ASN A 86 8.690 8.554 -9.665 1.00 0.00 C ATOM 1072 CG ASN A 86 9.121 10.021 -9.717 1.00 0.00 C ATOM 1073 OD1 ASN A 86 8.419 10.917 -9.280 1.00 0.00 O ATOM 1074 ND2 ASN A 86 10.313 10.215 -10.276 1.00 0.00 N ATOM 0 H ASN A 86 6.937 6.397 -8.169 1.00 0.00 H new ATOM 0 HA ASN A 86 7.812 9.042 -7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.559 7.922 -9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.279 8.258 -10.630 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.690 11.159 -10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.850 9.420 -10.622 1.00 0.00 H new ATOM 1081 N ASP A 87 5.354 9.049 -8.390 1.00 0.00 N ATOM 1082 CA ASP A 87 3.994 9.280 -8.847 1.00 0.00 C ATOM 1083 C ASP A 87 3.940 10.594 -9.629 1.00 0.00 C ATOM 1084 O ASP A 87 4.184 11.663 -9.072 1.00 0.00 O ATOM 1085 CB ASP A 87 3.028 9.393 -7.666 1.00 0.00 C ATOM 1086 CG ASP A 87 2.227 8.125 -7.363 1.00 0.00 C ATOM 1087 OD1 ASP A 87 1.171 8.177 -6.715 1.00 0.00 O ATOM 1088 OD2 ASP A 87 2.735 7.035 -7.828 1.00 0.00 O ATOM 0 H ASP A 87 5.534 9.333 -7.427 1.00 0.00 H new ATOM 0 HA ASP A 87 3.701 8.438 -9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.595 9.668 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.330 10.207 -7.863 1.00 0.00 H new ATOM 1094 N ILE A 88 3.620 10.471 -10.909 1.00 0.00 N ATOM 1095 CA ILE A 88 3.531 11.635 -11.774 1.00 0.00 C ATOM 1096 C ILE A 88 2.730 11.275 -13.027 1.00 0.00 C ATOM 1097 O ILE A 88 3.027 10.285 -13.694 1.00 0.00 O ATOM 1098 CB ILE A 88 4.926 12.188 -12.073 1.00 0.00 C ATOM 1099 CG1 ILE A 88 5.160 12.298 -13.581 1.00 0.00 C ATOM 1100 CG2 ILE A 88 6.006 11.352 -11.385 1.00 0.00 C ATOM 1101 CD1 ILE A 88 5.457 10.926 -14.191 1.00 0.00 C ATOM 0 H ILE A 88 3.419 9.583 -11.368 1.00 0.00 H new ATOM 0 HA ILE A 88 2.994 12.441 -11.274 1.00 0.00 H new ATOM 0 HB ILE A 88 4.989 13.196 -11.663 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.280 12.730 -14.059 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.992 12.974 -13.775 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.988 11.766 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.847 11.369 -10.307 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.954 10.324 -11.743 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.619 11.032 -15.264 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.351 10.508 -13.728 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.612 10.260 -14.016 1.00 0.00 H new ATOM 1113 N ILE A 89 1.731 12.098 -13.308 1.00 0.00 N ATOM 1114 CA ILE A 89 0.885 11.878 -14.469 1.00 0.00 C ATOM 1115 C ILE A 89 0.400 13.227 -15.004 1.00 0.00 C ATOM 1116 O ILE A 89 0.604 14.260 -14.369 1.00 0.00 O ATOM 1117 CB ILE A 89 -0.248 10.907 -14.131 1.00 0.00 C ATOM 1118 CG1 ILE A 89 0.208 9.868 -13.104 1.00 0.00 C ATOM 1119 CG2 ILE A 89 -0.807 10.255 -15.397 1.00 0.00 C ATOM 1120 CD1 ILE A 89 -0.967 9.009 -12.634 1.00 0.00 C ATOM 0 H ILE A 89 1.488 12.918 -12.752 1.00 0.00 H new ATOM 0 HA ILE A 89 1.452 11.402 -15.269 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.060 11.474 -13.676 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.976 9.231 -13.542 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.660 10.371 -12.249 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.611 9.569 -15.129 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.195 11.026 -16.063 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.014 9.704 -15.903 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.615 8.279 -11.905 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.723 9.646 -12.174 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.402 8.489 -13.488 1.00 0.00 H new ATOM 1132 N GLU A 90 -0.233 13.174 -16.167 1.00 0.00 N ATOM 1133 CA GLU A 90 -0.749 14.378 -16.794 1.00 0.00 C ATOM 1134 C GLU A 90 -2.262 14.265 -16.997 1.00 0.00 C ATOM 1135 O GLU A 90 -2.753 13.244 -17.476 1.00 0.00 O ATOM 1136 CB GLU A 90 -0.037 14.654 -18.120 1.00 0.00 C ATOM 1137 CG GLU A 90 -0.852 15.614 -18.990 1.00 0.00 C ATOM 1138 CD GLU A 90 0.056 16.637 -19.676 1.00 0.00 C ATOM 1139 OE1 GLU A 90 0.864 16.267 -20.541 1.00 0.00 O ATOM 1140 OE2 GLU A 90 -0.099 17.855 -19.281 1.00 0.00 O ATOM 0 H GLU A 90 -0.400 12.315 -16.691 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.553 15.221 -16.132 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.948 15.080 -17.927 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.120 13.717 -18.655 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.403 15.050 -19.742 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.589 16.131 -18.375 1.00 0.00 H new ATOM 1148 N ALA A 91 -2.958 15.328 -16.622 1.00 0.00 N ATOM 1149 CA ALA A 91 -4.404 15.361 -16.757 1.00 0.00 C ATOM 1150 C ALA A 91 -4.802 16.532 -17.659 1.00 0.00 C ATOM 1151 O ALA A 91 -4.947 17.660 -17.190 1.00 0.00 O ATOM 1152 CB ALA A 91 -5.045 15.450 -15.371 1.00 0.00 C ATOM 0 H ALA A 91 -2.547 16.173 -16.225 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.766 14.446 -17.226 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.130 15.475 -15.473 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.756 14.581 -14.780 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.707 16.358 -14.871 1.00 0.00 H new ATOM 1158 N HIS A 92 -4.966 16.224 -18.937 1.00 0.00 N ATOM 1159 CA HIS A 92 -5.344 17.236 -19.908 1.00 0.00 C ATOM 1160 C HIS A 92 -6.850 17.492 -19.823 1.00 0.00 C ATOM 1161 O HIS A 92 -7.551 16.842 -19.049 1.00 0.00 O ATOM 1162 CB HIS A 92 -4.889 16.838 -21.313 1.00 0.00 C ATOM 1163 CG HIS A 92 -4.021 17.869 -21.994 1.00 0.00 C ATOM 1164 ND1 HIS A 92 -4.044 18.084 -23.361 1.00 0.00 N ATOM 1165 CD2 HIS A 92 -3.108 18.744 -21.482 1.00 0.00 C ATOM 1166 CE1 HIS A 92 -3.178 19.045 -23.648 1.00 0.00 C ATOM 1167 NE2 HIS A 92 -2.599 19.452 -22.482 1.00 0.00 N ATOM 0 H HIS A 92 -4.844 15.288 -19.323 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.838 18.173 -19.677 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.340 15.898 -21.253 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -5.769 16.654 -21.930 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.844 18.843 -20.439 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -2.968 19.437 -24.632 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -1.891 20.181 -22.393 1.00 0.00 H new ATOM 1175 N ARG A 93 -7.303 18.441 -20.630 1.00 0.00 N ATOM 1176 CA ARG A 93 -8.713 18.791 -20.655 1.00 0.00 C ATOM 1177 C ARG A 93 -9.411 18.096 -21.826 1.00 0.00 C ATOM 1178 O ARG A 93 -8.805 17.878 -22.874 1.00 0.00 O ATOM 1179 CB ARG A 93 -8.902 20.304 -20.783 1.00 0.00 C ATOM 1180 CG ARG A 93 -8.506 21.018 -19.489 1.00 0.00 C ATOM 1181 CD ARG A 93 -7.074 20.662 -19.083 1.00 0.00 C ATOM 1182 NE ARG A 93 -6.515 21.724 -18.217 1.00 0.00 N ATOM 1183 CZ ARG A 93 -5.978 22.873 -18.680 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -5.923 23.118 -20.007 1.00 0.00 N ATOM 1185 NH2 ARG A 93 -5.508 23.753 -17.816 1.00 0.00 N ATOM 0 H ARG A 93 -6.719 18.978 -21.271 1.00 0.00 H new ATOM 0 HA ARG A 93 -9.154 18.459 -19.715 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.299 20.681 -21.609 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -9.943 20.525 -21.021 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.592 22.096 -19.623 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -9.194 20.740 -18.691 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.063 19.708 -18.556 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.454 20.542 -19.972 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.537 21.579 -17.208 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.289 22.432 -20.668 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.516 23.989 -20.348 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.554 23.560 -16.815 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.099 24.626 -18.149 1.00 0.00 H new ATOM 1198 N GLU A 94 -10.676 17.767 -21.608 1.00 0.00 N ATOM 1199 CA GLU A 94 -11.463 17.101 -22.631 1.00 0.00 C ATOM 1200 C GLU A 94 -12.957 17.264 -22.342 1.00 0.00 C ATOM 1201 O GLU A 94 -13.596 16.349 -21.824 1.00 0.00 O ATOM 1202 CB GLU A 94 -11.083 15.623 -22.740 1.00 0.00 C ATOM 1203 CG GLU A 94 -10.520 15.302 -24.126 1.00 0.00 C ATOM 1204 CD GLU A 94 -10.987 13.925 -24.602 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -10.817 12.930 -23.882 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -11.544 13.910 -25.765 1.00 0.00 O ATOM 0 H GLU A 94 -11.175 17.950 -20.737 1.00 0.00 H new ATOM 0 HA GLU A 94 -11.246 17.569 -23.591 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.344 15.377 -21.978 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.959 15.004 -22.547 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.839 16.064 -24.837 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.431 15.330 -24.095 1.00 0.00 H new