USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 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 35 HIS : no HD1:sc= -0.603 K(o=-0.69,f=-2.7) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.82 K(o=-0.69,f=-1.8) USER MOD Set 1.3: A 76 ASN :FLIP amide:sc= -0.908! F(o=-1.8,f=-0.69!) USER MOD Set 2.1: A 51 THR OG1 : rot -71:sc= 0.669 USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0.665 USER MOD Set 3.1: A 9 LYS NZ :NH3+ 125:sc= 0.709 (180deg=-0.0414) USER MOD Set 3.2: A 33 ASN : amide:sc= -0.686 K(o=0.023,f=-9.7!) USER MOD Set 4.1: A 7 MET CE :methyl 170:sc= -1.5 (180deg=-2.54) USER MOD Set 4.2: A 37 MET CE :methyl -162:sc= -0.0756 (180deg=-0.421) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.5!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -38:sc= 0.435 USER MOD Single : A 17 SER OG : rot 180:sc= -0.204 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000828) USER MOD Single : A 22 GLN : amide:sc= -0.0952 K(o=-0.095,f=-1.9!) USER MOD Single : A 23 ASN : amide:sc= -0.152 K(o=-0.15,f=-4.1!) USER MOD Single : A 25 ASN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 26 THR OG1 : rot -76:sc= 0.809 USER MOD Single : A 39 THR OG1 : rot 118:sc= 0.669 USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0135 (180deg=-0.149) USER MOD Single : A 47 GLN : amide:sc= 0.728 K(o=0.73,f=-5.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 172:sc=-0.000392 (180deg=-0.0695) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -140:sc= 0 USER MOD Single : A 84 TYR OH : rot 15:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 8.858 -2.659 -7.556 1.00 0.00 N ATOM 27 CA TYR A 4 8.618 -2.545 -6.127 1.00 0.00 C ATOM 28 C TYR A 4 7.173 -2.161 -5.864 1.00 0.00 C ATOM 29 O TYR A 4 6.448 -1.790 -6.779 1.00 0.00 O ATOM 30 CB TYR A 4 9.554 -1.471 -5.553 1.00 0.00 C ATOM 31 CG TYR A 4 9.605 -0.188 -6.369 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.624 0.804 -6.180 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.557 -0.034 -7.396 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.654 1.981 -6.944 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.538 1.112 -8.210 1.00 0.00 C ATOM 36 CZ TYR A 4 9.623 2.143 -7.945 1.00 0.00 C ATOM 37 OH TYR A 4 9.592 3.253 -8.727 1.00 0.00 O ATOM 0 HA TYR A 4 8.813 -3.505 -5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.235 -1.231 -4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.561 -1.883 -5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.846 0.659 -5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.303 -0.798 -7.558 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.931 2.762 -6.761 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.226 1.199 -9.038 1.00 0.00 H new ATOM 0 HH TYR A 4 10.329 3.219 -9.372 1.00 0.00 H new ATOM 47 N LEU A 5 6.808 -2.203 -4.588 1.00 0.00 N ATOM 48 CA LEU A 5 5.636 -1.567 -4.021 1.00 0.00 C ATOM 49 C LEU A 5 6.198 -0.722 -2.892 1.00 0.00 C ATOM 50 O LEU A 5 6.736 -1.280 -1.936 1.00 0.00 O ATOM 51 CB LEU A 5 4.664 -2.653 -3.540 1.00 0.00 C ATOM 52 CG LEU A 5 3.365 -2.164 -2.871 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.255 -3.181 -3.156 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.512 -2.035 -1.351 1.00 0.00 C ATOM 0 H LEU A 5 7.353 -2.709 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 5 5.066 -0.951 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.395 -3.273 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.191 -3.295 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 5 3.130 -1.181 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.328 -2.849 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.108 -3.267 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.538 -4.152 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.572 -1.688 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.767 -3.006 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.302 -1.320 -1.121 1.00 0.00 H new ATOM 66 N ILE A 6 6.157 0.598 -3.034 1.00 0.00 N ATOM 67 CA ILE A 6 6.458 1.542 -1.967 1.00 0.00 C ATOM 68 C ILE A 6 5.206 2.372 -1.757 1.00 0.00 C ATOM 69 O ILE A 6 4.302 2.336 -2.600 1.00 0.00 O ATOM 70 CB ILE A 6 7.643 2.453 -2.336 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.381 3.292 -3.599 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.931 1.632 -2.429 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.622 4.067 -4.047 1.00 0.00 C ATOM 0 H ILE A 6 5.908 1.050 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 6 6.743 1.009 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 6 7.766 3.181 -1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.053 2.637 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.568 3.992 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.762 2.287 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.131 1.158 -1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.819 0.865 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.387 4.644 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.936 4.743 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.428 3.367 -4.267 1.00 0.00 H new ATOM 85 N MET A 7 5.162 3.147 -0.676 1.00 0.00 N ATOM 86 CA MET A 7 4.192 4.196 -0.519 1.00 0.00 C ATOM 87 C MET A 7 4.884 5.535 -0.392 1.00 0.00 C ATOM 88 O MET A 7 6.053 5.612 -0.010 1.00 0.00 O ATOM 89 CB MET A 7 3.242 3.863 0.614 1.00 0.00 C ATOM 90 CG MET A 7 3.865 3.711 1.994 1.00 0.00 C ATOM 91 SD MET A 7 2.652 3.524 3.324 1.00 0.00 S ATOM 92 CE MET A 7 1.499 2.365 2.553 1.00 0.00 C ATOM 0 H MET A 7 5.805 3.055 0.110 1.00 0.00 H new ATOM 0 HA MET A 7 3.569 4.275 -1.410 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.484 4.644 0.665 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.727 2.935 0.367 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.525 2.843 1.991 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.486 4.583 2.201 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.789 2.007 3.299 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.960 2.868 1.751 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.052 1.520 2.144 1.00 0.00 H new ATOM 102 N CYS A 8 4.162 6.571 -0.800 1.00 0.00 N ATOM 103 CA CYS A 8 4.746 7.838 -1.180 1.00 0.00 C ATOM 104 C CYS A 8 3.921 8.990 -0.634 1.00 0.00 C ATOM 105 O CYS A 8 2.714 8.883 -0.424 1.00 0.00 O ATOM 106 CB CYS A 8 4.803 7.942 -2.707 1.00 0.00 C ATOM 107 SG CYS A 8 6.077 7.001 -3.560 1.00 0.00 S ATOM 0 H CYS A 8 3.145 6.549 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 8 5.753 7.893 -0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.835 7.631 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.931 8.993 -2.967 1.00 0.00 H new ATOM 112 N LYS A 9 4.592 10.124 -0.440 1.00 0.00 N ATOM 113 CA LYS A 9 4.001 11.391 -0.037 1.00 0.00 C ATOM 114 C LYS A 9 3.193 12.047 -1.160 1.00 0.00 C ATOM 115 O LYS A 9 2.584 13.092 -0.940 1.00 0.00 O ATOM 116 CB LYS A 9 5.146 12.315 0.393 1.00 0.00 C ATOM 117 CG LYS A 9 5.748 11.831 1.718 1.00 0.00 C ATOM 118 CD LYS A 9 4.988 12.422 2.907 1.00 0.00 C ATOM 119 CE LYS A 9 5.529 13.814 3.263 1.00 0.00 C ATOM 120 NZ LYS A 9 4.573 14.589 4.073 1.00 0.00 N ATOM 0 H LYS A 9 5.603 10.184 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 9 3.301 11.212 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.916 12.336 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.778 13.335 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.713 10.742 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.798 12.119 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.927 12.490 2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.080 11.760 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.466 13.709 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.754 14.360 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.036 14.904 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.253 15.419 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.754 13.993 4.309 1.00 0.00 H new ATOM 134 N ASN A 10 3.226 11.487 -2.363 1.00 0.00 N ATOM 135 CA ASN A 10 2.564 11.987 -3.559 1.00 0.00 C ATOM 136 C ASN A 10 2.541 10.851 -4.572 1.00 0.00 C ATOM 137 O ASN A 10 3.017 9.754 -4.290 1.00 0.00 O ATOM 138 CB ASN A 10 3.280 13.219 -4.130 1.00 0.00 C ATOM 139 CG ASN A 10 4.726 12.955 -4.516 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.158 11.812 -4.601 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.495 14.010 -4.731 1.00 0.00 N ATOM 0 H ASN A 10 3.743 10.626 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 10 1.551 12.308 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.737 13.571 -5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.250 14.021 -3.393 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.477 13.884 -4.975 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.106 14.949 -4.653 1.00 0.00 H new ATOM 148 N CYS A 11 2.020 11.121 -5.758 1.00 0.00 N ATOM 149 CA CYS A 11 1.911 10.151 -6.844 1.00 0.00 C ATOM 150 C CYS A 11 3.215 10.002 -7.632 1.00 0.00 C ATOM 151 O CYS A 11 3.262 9.299 -8.641 1.00 0.00 O ATOM 152 CB CYS A 11 0.803 10.654 -7.766 1.00 0.00 C ATOM 153 SG CYS A 11 0.270 9.592 -9.122 1.00 0.00 S ATOM 0 H CYS A 11 1.652 12.041 -6.001 1.00 0.00 H new ATOM 0 HA CYS A 11 1.691 9.166 -6.432 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.070 10.869 -7.150 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.132 11.601 -8.195 1.00 0.00 H new ATOM 158 N ASP A 12 4.273 10.687 -7.193 1.00 0.00 N ATOM 159 CA ASP A 12 5.461 10.973 -7.984 1.00 0.00 C ATOM 160 C ASP A 12 6.715 10.498 -7.241 1.00 0.00 C ATOM 161 O ASP A 12 7.298 11.247 -6.448 1.00 0.00 O ATOM 162 CB ASP A 12 5.501 12.477 -8.240 1.00 0.00 C ATOM 163 CG ASP A 12 6.582 12.847 -9.231 1.00 0.00 C ATOM 164 OD1 ASP A 12 7.608 12.146 -9.332 1.00 0.00 O ATOM 165 OD2 ASP A 12 6.387 13.879 -9.905 1.00 0.00 O ATOM 0 H ASP A 12 4.323 11.067 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 12 5.430 10.443 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.533 12.808 -8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.674 13.002 -7.300 1.00 0.00 H new ATOM 170 N PRO A 13 7.156 9.251 -7.455 1.00 0.00 N ATOM 171 CA PRO A 13 8.238 8.676 -6.677 1.00 0.00 C ATOM 172 C PRO A 13 9.555 9.422 -6.878 1.00 0.00 C ATOM 173 O PRO A 13 10.459 9.325 -6.047 1.00 0.00 O ATOM 174 CB PRO A 13 8.334 7.209 -7.095 1.00 0.00 C ATOM 175 CG PRO A 13 7.703 7.184 -8.486 1.00 0.00 C ATOM 176 CD PRO A 13 6.675 8.317 -8.457 1.00 0.00 C ATOM 0 HA PRO A 13 8.034 8.761 -5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.369 6.867 -7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.799 6.560 -6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.449 7.344 -9.264 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.230 6.223 -8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.591 8.796 -9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.684 7.942 -8.200 1.00 0.00 H new ATOM 184 N ASN A 14 9.693 10.174 -7.967 1.00 0.00 N ATOM 185 CA ASN A 14 10.877 10.977 -8.216 1.00 0.00 C ATOM 186 C ASN A 14 10.997 12.117 -7.200 1.00 0.00 C ATOM 187 O ASN A 14 12.106 12.607 -6.972 1.00 0.00 O ATOM 188 CB ASN A 14 10.814 11.529 -9.639 1.00 0.00 C ATOM 189 CG ASN A 14 12.144 12.106 -10.101 1.00 0.00 C ATOM 190 OD1 ASN A 14 12.389 13.308 -10.009 1.00 0.00 O ATOM 191 ND2 ASN A 14 13.028 11.271 -10.633 1.00 0.00 N ATOM 0 H ASN A 14 8.985 10.241 -8.698 1.00 0.00 H new ATOM 0 HA ASN A 14 11.761 10.349 -8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.511 10.734 -10.320 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.048 12.303 -9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.923 11.624 -10.972 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.812 10.277 -10.703 1.00 0.00 H new ATOM 198 N THR A 15 9.885 12.551 -6.594 1.00 0.00 N ATOM 199 CA THR A 15 9.836 13.793 -5.824 1.00 0.00 C ATOM 200 C THR A 15 8.927 13.746 -4.596 1.00 0.00 C ATOM 201 O THR A 15 8.627 14.796 -4.032 1.00 0.00 O ATOM 202 CB THR A 15 9.439 14.922 -6.782 1.00 0.00 C ATOM 203 OG1 THR A 15 9.617 16.216 -6.239 1.00 0.00 O ATOM 204 CG2 THR A 15 7.979 14.780 -7.191 1.00 0.00 C ATOM 0 H THR A 15 8.997 12.050 -6.625 1.00 0.00 H new ATOM 0 HA THR A 15 10.827 13.967 -5.403 1.00 0.00 H new ATOM 0 HB THR A 15 10.104 14.823 -7.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.378 16.208 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.711 15.589 -7.871 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.833 13.822 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.347 14.827 -6.305 1.00 0.00 H new ATOM 212 N GLY A 16 8.493 12.570 -4.162 1.00 0.00 N ATOM 213 CA GLY A 16 7.891 12.357 -2.858 1.00 0.00 C ATOM 214 C GLY A 16 8.873 11.562 -2.016 1.00 0.00 C ATOM 215 O GLY A 16 9.482 10.625 -2.530 1.00 0.00 O ATOM 0 H GLY A 16 8.552 11.720 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.665 13.311 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.949 11.818 -2.956 1.00 0.00 H new ATOM 219 N SER A 17 9.043 11.895 -0.736 1.00 0.00 N ATOM 220 CA SER A 17 9.903 11.080 0.110 1.00 0.00 C ATOM 221 C SER A 17 9.144 9.804 0.443 1.00 0.00 C ATOM 222 O SER A 17 8.354 9.748 1.389 1.00 0.00 O ATOM 223 CB SER A 17 10.326 11.854 1.350 1.00 0.00 C ATOM 224 OG SER A 17 9.198 12.295 2.082 1.00 0.00 O ATOM 0 H SER A 17 8.611 12.697 -0.277 1.00 0.00 H new ATOM 0 HA SER A 17 10.827 10.818 -0.405 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.950 11.222 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.933 12.711 1.059 1.00 0.00 H new ATOM 0 HG SER A 17 9.495 12.788 2.875 1.00 0.00 H new ATOM 230 N CYS A 18 9.379 8.788 -0.367 1.00 0.00 N ATOM 231 CA CYS A 18 8.643 7.546 -0.364 1.00 0.00 C ATOM 232 C CYS A 18 9.400 6.573 0.499 1.00 0.00 C ATOM 233 O CYS A 18 10.618 6.713 0.626 1.00 0.00 O ATOM 234 CB CYS A 18 8.581 6.988 -1.779 1.00 0.00 C ATOM 235 SG CYS A 18 7.814 8.012 -3.035 1.00 0.00 S ATOM 0 H CYS A 18 10.117 8.811 -1.071 1.00 0.00 H new ATOM 0 HA CYS A 18 7.631 7.705 0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.599 6.768 -2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.045 6.039 -1.744 1.00 0.00 H new ATOM 240 N ASP A 19 8.719 5.604 1.107 1.00 0.00 N ATOM 241 CA ASP A 19 9.421 4.606 1.872 1.00 0.00 C ATOM 242 C ASP A 19 9.677 3.357 1.040 1.00 0.00 C ATOM 243 O ASP A 19 8.801 2.544 0.773 1.00 0.00 O ATOM 244 CB ASP A 19 8.771 4.401 3.223 1.00 0.00 C ATOM 245 CG ASP A 19 7.578 3.490 3.261 1.00 0.00 C ATOM 246 OD1 ASP A 19 7.774 2.273 3.438 1.00 0.00 O ATOM 247 OD2 ASP A 19 6.455 4.020 3.331 1.00 0.00 O ATOM 0 H ASP A 19 7.705 5.498 1.080 1.00 0.00 H new ATOM 0 HA ASP A 19 10.423 4.958 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.523 4.007 3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.469 5.375 3.608 1.00 0.00 H new ATOM 252 N TRP A 20 10.943 3.207 0.678 1.00 0.00 N ATOM 253 CA TRP A 20 11.535 2.072 -0.015 1.00 0.00 C ATOM 254 C TRP A 20 11.884 0.995 1.012 1.00 0.00 C ATOM 255 O TRP A 20 12.900 0.313 0.903 1.00 0.00 O ATOM 256 CB TRP A 20 12.747 2.587 -0.798 1.00 0.00 C ATOM 257 CG TRP A 20 12.429 3.691 -1.767 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.256 4.990 -1.450 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.215 3.616 -3.204 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.980 5.729 -2.579 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.943 4.927 -3.699 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.205 2.561 -4.134 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.699 5.178 -5.058 1.00 0.00 C ATOM 264 CZ3 TRP A 20 12.037 2.812 -5.508 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.792 4.117 -5.972 1.00 0.00 C ATOM 0 H TRP A 20 11.635 3.930 0.876 1.00 0.00 H new ATOM 0 HA TRP A 20 10.850 1.612 -0.727 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.497 2.943 -0.092 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.193 1.756 -1.345 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.324 5.394 -0.451 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.824 6.737 -2.585 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.328 1.545 -3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.444 6.172 -5.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.097 1.996 -6.213 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.676 4.302 -7.030 1.00 0.00 H new ATOM 276 N LYS A 21 11.044 0.864 2.036 1.00 0.00 N ATOM 277 CA LYS A 21 11.201 -0.083 3.117 1.00 0.00 C ATOM 278 C LYS A 21 10.551 -1.397 2.691 1.00 0.00 C ATOM 279 O LYS A 21 9.632 -1.397 1.867 1.00 0.00 O ATOM 280 CB LYS A 21 10.517 0.491 4.372 1.00 0.00 C ATOM 281 CG LYS A 21 11.507 0.865 5.477 1.00 0.00 C ATOM 282 CD LYS A 21 12.002 -0.404 6.181 1.00 0.00 C ATOM 283 CE LYS A 21 12.852 -0.088 7.415 1.00 0.00 C ATOM 284 NZ LYS A 21 14.051 0.720 7.112 1.00 0.00 N ATOM 0 H LYS A 21 10.207 1.439 2.131 1.00 0.00 H new ATOM 0 HA LYS A 21 12.252 -0.262 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.942 1.374 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.809 -0.241 4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.351 1.410 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.029 1.529 6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.146 -1.010 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.588 -1.000 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.239 0.444 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.162 -1.023 7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.590 0.883 7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.648 0.213 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.761 1.634 6.708 1.00 0.00 H new ATOM 298 N GLN A 22 10.962 -2.498 3.316 1.00 0.00 N ATOM 299 CA GLN A 22 10.239 -3.752 3.227 1.00 0.00 C ATOM 300 C GLN A 22 8.874 -3.506 3.862 1.00 0.00 C ATOM 301 O GLN A 22 8.762 -2.778 4.847 1.00 0.00 O ATOM 302 CB GLN A 22 10.956 -4.818 4.056 1.00 0.00 C ATOM 303 CG GLN A 22 10.339 -6.224 3.978 1.00 0.00 C ATOM 304 CD GLN A 22 10.764 -7.104 5.152 1.00 0.00 C ATOM 305 OE1 GLN A 22 11.191 -6.605 6.194 1.00 0.00 O ATOM 306 NE2 GLN A 22 10.618 -8.414 5.025 1.00 0.00 N ATOM 0 H GLN A 22 11.801 -2.540 3.894 1.00 0.00 H new ATOM 0 HA GLN A 22 10.165 -4.086 2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.994 -4.874 3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.967 -4.500 5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.252 -6.142 3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.637 -6.699 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.263 -8.805 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.861 -9.032 5.799 1.00 0.00 H new ATOM 315 N ASN A 23 7.851 -4.140 3.319 1.00 0.00 N ATOM 316 CA ASN A 23 6.470 -3.939 3.751 1.00 0.00 C ATOM 317 C ASN A 23 5.645 -5.212 3.654 1.00 0.00 C ATOM 318 O ASN A 23 4.416 -5.169 3.599 1.00 0.00 O ATOM 319 CB ASN A 23 5.837 -2.802 2.952 1.00 0.00 C ATOM 320 CG ASN A 23 5.837 -3.056 1.446 1.00 0.00 C ATOM 321 OD1 ASN A 23 5.741 -4.188 0.981 1.00 0.00 O ATOM 322 ND2 ASN A 23 5.988 -2.002 0.662 1.00 0.00 N ATOM 0 H ASN A 23 7.950 -4.815 2.560 1.00 0.00 H new ATOM 0 HA ASN A 23 6.484 -3.664 4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.811 -2.656 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.375 -1.877 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.027 -2.121 -0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.066 -1.070 1.070 1.00 0.00 H new ATOM 329 N TRP A 24 6.310 -6.361 3.626 1.00 0.00 N ATOM 330 CA TRP A 24 5.711 -7.637 3.428 1.00 0.00 C ATOM 331 C TRP A 24 5.966 -8.386 4.732 1.00 0.00 C ATOM 332 O TRP A 24 7.022 -8.208 5.337 1.00 0.00 O ATOM 333 CB TRP A 24 6.451 -8.195 2.219 1.00 0.00 C ATOM 334 CG TRP A 24 6.248 -9.634 1.990 1.00 0.00 C ATOM 335 CD1 TRP A 24 6.903 -10.592 2.660 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.345 -10.296 1.076 1.00 0.00 C ATOM 337 NE1 TRP A 24 6.450 -11.829 2.235 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.476 -11.703 1.255 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.437 -9.837 0.108 1.00 0.00 C ATOM 340 CZ2 TRP A 24 4.707 -12.613 0.511 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.718 -10.737 -0.685 1.00 0.00 C ATOM 342 CH2 TRP A 24 3.811 -12.118 -0.458 1.00 0.00 C ATOM 0 H TRP A 24 7.322 -6.410 3.747 1.00 0.00 H new ATOM 0 HA TRP A 24 4.640 -7.676 3.228 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.132 -7.650 1.330 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.517 -8.007 2.343 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.662 -10.426 3.410 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.789 -12.720 2.597 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.292 -8.775 -0.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.801 -13.676 0.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.086 -10.366 -1.478 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.197 -12.802 -1.025 1.00 0.00 H new ATOM 353 N ASN A 25 5.001 -9.179 5.199 1.00 0.00 N ATOM 354 CA ASN A 25 5.105 -9.902 6.470 1.00 0.00 C ATOM 355 C ASN A 25 5.268 -8.957 7.669 1.00 0.00 C ATOM 356 O ASN A 25 5.734 -9.369 8.735 1.00 0.00 O ATOM 357 CB ASN A 25 6.226 -10.959 6.411 1.00 0.00 C ATOM 358 CG ASN A 25 5.651 -12.360 6.308 1.00 0.00 C ATOM 359 OD1 ASN A 25 5.537 -13.069 7.299 1.00 0.00 O ATOM 360 ND2 ASN A 25 5.284 -12.783 5.105 1.00 0.00 N ATOM 0 H ASN A 25 4.122 -9.339 4.706 1.00 0.00 H new ATOM 0 HA ASN A 25 4.162 -10.426 6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.870 -10.763 5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.849 -10.883 7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.896 -13.719 4.990 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.390 -12.172 4.295 1.00 0.00 H new ATOM 367 N THR A 26 4.889 -7.690 7.515 1.00 0.00 N ATOM 368 CA THR A 26 5.140 -6.634 8.477 1.00 0.00 C ATOM 369 C THR A 26 3.904 -5.737 8.519 1.00 0.00 C ATOM 370 O THR A 26 3.370 -5.388 7.468 1.00 0.00 O ATOM 371 CB THR A 26 6.408 -5.876 8.052 1.00 0.00 C ATOM 372 OG1 THR A 26 6.505 -5.749 6.645 1.00 0.00 O ATOM 373 CG2 THR A 26 7.667 -6.611 8.506 1.00 0.00 C ATOM 0 H THR A 26 4.384 -7.366 6.690 1.00 0.00 H new ATOM 0 HA THR A 26 5.313 -7.022 9.481 1.00 0.00 H new ATOM 0 HB THR A 26 6.332 -4.894 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.779 -6.606 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.548 -6.052 8.191 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.664 -6.702 9.592 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.689 -7.605 8.059 1.00 0.00 H new ATOM 381 N CYS A 27 3.423 -5.398 9.716 1.00 0.00 N ATOM 382 CA CYS A 27 2.260 -4.560 9.900 1.00 0.00 C ATOM 383 C CYS A 27 2.720 -3.112 9.855 1.00 0.00 C ATOM 384 O CYS A 27 2.909 -2.473 10.892 1.00 0.00 O ATOM 385 CB CYS A 27 1.585 -4.833 11.237 1.00 0.00 C ATOM 386 SG CYS A 27 0.132 -3.811 11.495 1.00 0.00 S ATOM 0 H CYS A 27 3.844 -5.708 10.592 1.00 0.00 H new ATOM 0 HA CYS A 27 1.536 -4.771 9.113 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.300 -5.884 11.289 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.297 -4.656 12.043 1.00 0.00 H new ATOM 391 N VAL A 28 3.007 -2.605 8.668 1.00 0.00 N ATOM 392 CA VAL A 28 3.717 -1.349 8.538 1.00 0.00 C ATOM 393 C VAL A 28 2.712 -0.202 8.649 1.00 0.00 C ATOM 394 O VAL A 28 1.552 -0.331 8.259 1.00 0.00 O ATOM 395 CB VAL A 28 4.532 -1.357 7.239 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.311 -0.058 7.056 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.561 -2.491 7.282 1.00 0.00 C ATOM 0 H VAL A 28 2.758 -3.045 7.782 1.00 0.00 H new ATOM 0 HA VAL A 28 4.440 -1.206 9.341 1.00 0.00 H new ATOM 0 HB VAL A 28 3.825 -1.483 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.876 -0.101 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.616 0.781 7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.998 0.075 7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.138 -2.494 6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.232 -2.342 8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.046 -3.446 7.391 1.00 0.00 H new ATOM 407 N GLY A 29 3.144 0.900 9.261 1.00 0.00 N ATOM 408 CA GLY A 29 2.345 2.088 9.474 1.00 0.00 C ATOM 409 C GLY A 29 2.312 2.963 8.220 1.00 0.00 C ATOM 410 O GLY A 29 3.186 2.859 7.359 1.00 0.00 O ATOM 0 H GLY A 29 4.091 0.985 9.631 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.330 1.802 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.752 2.659 10.309 1.00 0.00 H new ATOM 414 N ILE A 30 1.329 3.852 8.140 1.00 0.00 N ATOM 415 CA ILE A 30 1.198 4.898 7.140 1.00 0.00 C ATOM 416 C ILE A 30 1.140 6.201 7.932 1.00 0.00 C ATOM 417 O ILE A 30 0.429 6.250 8.940 1.00 0.00 O ATOM 418 CB ILE A 30 -0.106 4.697 6.341 1.00 0.00 C ATOM 419 CG1 ILE A 30 -0.240 3.239 5.873 1.00 0.00 C ATOM 420 CG2 ILE A 30 -0.153 5.676 5.161 1.00 0.00 C ATOM 421 CD1 ILE A 30 -1.436 3.003 4.949 1.00 0.00 C ATOM 0 H ILE A 30 0.560 3.860 8.810 1.00 0.00 H new ATOM 0 HA ILE A 30 2.021 4.894 6.425 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.956 4.907 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.673 2.947 5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.332 2.592 6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.077 5.528 4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.116 6.699 5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.700 5.498 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.469 1.953 4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.356 3.264 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.336 3.624 4.059 1.00 0.00 H new ATOM 433 N GLY A 31 1.856 7.249 7.527 1.00 0.00 N ATOM 434 CA GLY A 31 1.788 8.516 8.234 1.00 0.00 C ATOM 435 C GLY A 31 2.187 9.705 7.372 1.00 0.00 C ATOM 436 O GLY A 31 3.118 9.628 6.575 1.00 0.00 O ATOM 0 H GLY A 31 2.482 7.242 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.773 8.666 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.439 8.473 9.107 1.00 0.00 H new ATOM 440 N ALA A 32 1.498 10.818 7.597 1.00 0.00 N ATOM 441 CA ALA A 32 1.876 12.171 7.222 1.00 0.00 C ATOM 442 C ALA A 32 1.847 12.452 5.731 1.00 0.00 C ATOM 443 O ALA A 32 2.880 12.626 5.083 1.00 0.00 O ATOM 444 CB ALA A 32 3.187 12.596 7.892 1.00 0.00 C ATOM 0 H ALA A 32 0.600 10.795 8.079 1.00 0.00 H new ATOM 0 HA ALA A 32 1.087 12.812 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.438 13.612 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.071 12.559 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.986 11.919 7.590 1.00 0.00 H new ATOM 450 N ASN A 33 0.627 12.571 5.209 1.00 0.00 N ATOM 451 CA ASN A 33 0.327 12.877 3.815 1.00 0.00 C ATOM 452 C ASN A 33 0.786 11.739 2.912 1.00 0.00 C ATOM 453 O ASN A 33 0.787 11.872 1.689 1.00 0.00 O ATOM 454 CB ASN A 33 0.913 14.220 3.347 1.00 0.00 C ATOM 455 CG ASN A 33 1.043 15.259 4.454 1.00 0.00 C ATOM 456 OD1 ASN A 33 2.152 15.539 4.904 1.00 0.00 O ATOM 457 ND2 ASN A 33 -0.060 15.803 4.950 1.00 0.00 N ATOM 0 H ASN A 33 -0.215 12.451 5.773 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.756 12.979 3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.896 14.043 2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.282 14.624 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.002 16.468 5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.970 15.556 4.561 1.00 0.00 H new ATOM 464 N VAL A 34 1.175 10.610 3.503 1.00 0.00 N ATOM 465 CA VAL A 34 1.426 9.410 2.726 1.00 0.00 C ATOM 466 C VAL A 34 0.057 8.837 2.375 1.00 0.00 C ATOM 467 O VAL A 34 -0.569 8.184 3.210 1.00 0.00 O ATOM 468 CB VAL A 34 2.325 8.437 3.501 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.485 7.110 2.749 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.713 9.071 3.651 1.00 0.00 C ATOM 0 H VAL A 34 1.320 10.507 4.507 1.00 0.00 H new ATOM 0 HA VAL A 34 1.976 9.617 1.808 1.00 0.00 H new ATOM 0 HB VAL A 34 1.867 8.240 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.127 6.442 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.507 6.647 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.935 7.296 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.366 8.392 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.135 9.261 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.627 10.011 4.196 1.00 0.00 H new ATOM 480 N HIS A 35 -0.431 9.134 1.174 1.00 0.00 N ATOM 481 CA HIS A 35 -1.699 8.628 0.668 1.00 0.00 C ATOM 482 C HIS A 35 -1.553 8.150 -0.766 1.00 0.00 C ATOM 483 O HIS A 35 -2.449 8.330 -1.594 1.00 0.00 O ATOM 484 CB HIS A 35 -2.800 9.681 0.831 1.00 0.00 C ATOM 485 CG HIS A 35 -2.610 11.008 0.142 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.160 11.347 -1.072 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.177 12.168 0.727 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.031 12.673 -1.226 1.00 0.00 C ATOM 489 NE2 HIS A 35 -2.423 13.224 -0.159 1.00 0.00 N ATOM 0 H HIS A 35 0.054 9.744 0.515 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.998 7.762 1.258 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.734 9.248 0.472 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.926 9.872 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.724 12.254 1.704 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.370 13.225 -2.090 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.190 14.208 -0.024 1.00 0.00 H new ATOM 497 N TRP A 36 -0.431 7.500 -1.054 1.00 0.00 N ATOM 498 CA TRP A 36 -0.151 6.951 -2.362 1.00 0.00 C ATOM 499 C TRP A 36 0.634 5.669 -2.182 1.00 0.00 C ATOM 500 O TRP A 36 1.561 5.653 -1.380 1.00 0.00 O ATOM 501 CB TRP A 36 0.653 7.972 -3.154 1.00 0.00 C ATOM 502 CG TRP A 36 -0.072 9.258 -3.364 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.124 10.296 -2.503 1.00 0.00 C ATOM 504 CD2 TRP A 36 -0.987 9.588 -4.441 1.00 0.00 C ATOM 505 NE1 TRP A 36 -0.897 11.295 -3.043 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.492 10.901 -4.220 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.455 8.890 -5.570 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.395 11.512 -5.099 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.385 9.482 -6.446 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.831 10.798 -6.226 1.00 0.00 C ATOM 0 H TRP A 36 0.313 7.341 -0.374 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.071 6.731 -2.904 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.589 8.171 -2.632 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.913 7.547 -4.123 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.365 10.335 -1.541 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.016 12.217 -2.623 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.097 7.890 -5.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.750 12.515 -4.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.758 8.923 -7.291 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.511 11.260 -6.926 1.00 0.00 H new ATOM 521 N MET A 37 0.269 4.615 -2.902 1.00 0.00 N ATOM 522 CA MET A 37 1.073 3.420 -3.075 1.00 0.00 C ATOM 523 C MET A 37 1.423 3.378 -4.552 1.00 0.00 C ATOM 524 O MET A 37 0.556 3.629 -5.386 1.00 0.00 O ATOM 525 CB MET A 37 0.289 2.188 -2.627 1.00 0.00 C ATOM 526 CG MET A 37 1.145 0.927 -2.508 1.00 0.00 C ATOM 527 SD MET A 37 0.266 -0.491 -1.804 1.00 0.00 S ATOM 528 CE MET A 37 -0.046 0.084 -0.120 1.00 0.00 C ATOM 0 H MET A 37 -0.623 4.571 -3.395 1.00 0.00 H new ATOM 0 HA MET A 37 1.979 3.431 -2.469 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.175 2.394 -1.663 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.518 2.004 -3.336 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.517 0.657 -3.496 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.015 1.147 -1.889 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.282 -0.768 0.517 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.841 0.588 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.886 0.779 -0.123 1.00 0.00 H new ATOM 538 N VAL A 38 2.690 3.140 -4.867 1.00 0.00 N ATOM 539 CA VAL A 38 3.208 3.277 -6.214 1.00 0.00 C ATOM 540 C VAL A 38 3.939 1.979 -6.533 1.00 0.00 C ATOM 541 O VAL A 38 4.938 1.650 -5.886 1.00 0.00 O ATOM 542 CB VAL A 38 4.091 4.536 -6.301 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.329 4.941 -7.758 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.439 5.740 -5.601 1.00 0.00 C ATOM 0 H VAL A 38 3.389 2.844 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 38 2.426 3.422 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 38 5.030 4.279 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.955 5.833 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.828 4.128 -8.285 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.373 5.151 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.093 6.608 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.481 5.961 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.279 5.506 -4.548 1.00 0.00 H new ATOM 554 N THR A 39 3.387 1.198 -7.455 1.00 0.00 N ATOM 555 CA THR A 39 3.837 -0.148 -7.737 1.00 0.00 C ATOM 556 C THR A 39 4.802 -0.126 -8.918 1.00 0.00 C ATOM 557 O THR A 39 4.504 -0.585 -10.020 1.00 0.00 O ATOM 558 CB THR A 39 2.624 -1.074 -7.903 1.00 0.00 C ATOM 559 OG1 THR A 39 1.517 -0.318 -8.349 1.00 0.00 O ATOM 560 CG2 THR A 39 2.251 -1.640 -6.533 1.00 0.00 C ATOM 0 H THR A 39 2.601 1.494 -8.034 1.00 0.00 H new ATOM 0 HA THR A 39 4.405 -0.562 -6.904 1.00 0.00 H new ATOM 0 HB THR A 39 2.868 -1.865 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.235 -0.640 -9.231 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.390 -2.301 -6.634 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.094 -2.202 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.003 -0.822 -5.857 1.00 0.00 H new ATOM 568 N GLY A 40 6.006 0.378 -8.672 1.00 0.00 N ATOM 569 CA GLY A 40 7.080 0.200 -9.619 1.00 0.00 C ATOM 570 C GLY A 40 6.918 1.076 -10.852 1.00 0.00 C ATOM 571 O GLY A 40 5.910 1.745 -11.071 1.00 0.00 O ATOM 0 H GLY A 40 6.253 0.905 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.029 0.431 -9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.123 -0.846 -9.923 1.00 0.00 H new ATOM 626 N LYS A 46 3.352 -8.137 -11.841 1.00 0.00 N ATOM 627 CA LYS A 46 2.294 -8.432 -10.899 1.00 0.00 C ATOM 628 C LYS A 46 1.761 -7.097 -10.384 1.00 0.00 C ATOM 629 O LYS A 46 2.557 -6.246 -9.979 1.00 0.00 O ATOM 630 CB LYS A 46 2.800 -9.378 -9.804 1.00 0.00 C ATOM 631 CG LYS A 46 3.655 -8.637 -8.784 1.00 0.00 C ATOM 632 CD LYS A 46 4.370 -9.607 -7.834 1.00 0.00 C ATOM 633 CE LYS A 46 5.847 -9.733 -8.216 1.00 0.00 C ATOM 634 NZ LYS A 46 6.606 -8.507 -7.911 1.00 0.00 N ATOM 0 HA LYS A 46 1.467 -8.968 -11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.952 -9.843 -9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.383 -10.181 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.393 -8.025 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.027 -7.958 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.282 -9.252 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.892 -10.586 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.288 -10.574 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.928 -9.953 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.620 -8.731 -7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.444 -7.803 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.289 -8.121 -6.999 1.00 0.00 H new ATOM 648 N GLN A 47 0.443 -6.901 -10.371 1.00 0.00 N ATOM 649 CA GLN A 47 -0.121 -5.875 -9.528 1.00 0.00 C ATOM 650 C GLN A 47 0.387 -6.137 -8.110 1.00 0.00 C ATOM 651 O GLN A 47 0.518 -7.294 -7.701 1.00 0.00 O ATOM 652 CB GLN A 47 -1.663 -5.878 -9.623 1.00 0.00 C ATOM 653 CG GLN A 47 -2.371 -7.205 -9.299 1.00 0.00 C ATOM 654 CD GLN A 47 -2.582 -8.073 -10.539 1.00 0.00 C ATOM 655 OE1 GLN A 47 -1.637 -8.625 -11.095 1.00 0.00 O ATOM 656 NE2 GLN A 47 -3.815 -8.211 -10.993 1.00 0.00 N ATOM 0 H GLN A 47 -0.231 -7.430 -10.924 1.00 0.00 H new ATOM 0 HA GLN A 47 0.189 -4.879 -9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.047 -5.113 -8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.943 -5.581 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.782 -7.758 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.336 -6.995 -8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.588 -7.745 -10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.994 -8.784 -11.818 1.00 0.00 H new ATOM 665 N GLY A 48 0.667 -5.080 -7.362 1.00 0.00 N ATOM 666 CA GLY A 48 1.217 -5.209 -6.024 1.00 0.00 C ATOM 667 C GLY A 48 0.109 -4.867 -5.056 1.00 0.00 C ATOM 668 O GLY A 48 -0.593 -3.870 -5.253 1.00 0.00 O ATOM 0 H GLY A 48 0.520 -4.117 -7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.580 -6.222 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.066 -4.539 -5.890 1.00 0.00 H new ATOM 672 N CYS A 49 -0.096 -5.703 -4.047 1.00 0.00 N ATOM 673 CA CYS A 49 -1.326 -5.694 -3.296 1.00 0.00 C ATOM 674 C CYS A 49 -1.013 -5.659 -1.832 1.00 0.00 C ATOM 675 O CYS A 49 -0.002 -6.188 -1.384 1.00 0.00 O ATOM 676 CB CYS A 49 -2.162 -6.938 -3.598 1.00 0.00 C ATOM 677 SG CYS A 49 -2.525 -7.315 -5.328 1.00 0.00 S ATOM 0 H CYS A 49 0.583 -6.397 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.897 -4.811 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.648 -7.798 -3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.111 -6.839 -3.071 1.00 0.00 H new ATOM 682 N ALA A 50 -1.903 -5.039 -1.076 1.00 0.00 N ATOM 683 CA ALA A 50 -1.759 -4.898 0.356 1.00 0.00 C ATOM 684 C ALA A 50 -3.120 -4.971 1.011 1.00 0.00 C ATOM 685 O ALA A 50 -4.071 -4.377 0.513 1.00 0.00 O ATOM 686 CB ALA A 50 -1.089 -3.563 0.683 1.00 0.00 C ATOM 0 H ALA A 50 -2.754 -4.616 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.135 -5.706 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.984 -3.464 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.104 -3.527 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.701 -2.746 0.301 1.00 0.00 H new ATOM 692 N THR A 51 -3.204 -5.644 2.153 1.00 0.00 N ATOM 693 CA THR A 51 -4.338 -5.447 3.031 1.00 0.00 C ATOM 694 C THR A 51 -3.995 -4.219 3.854 1.00 0.00 C ATOM 695 O THR A 51 -2.985 -4.204 4.555 1.00 0.00 O ATOM 696 CB THR A 51 -4.656 -6.714 3.825 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.880 -7.761 2.897 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.949 -6.544 4.628 1.00 0.00 C ATOM 0 H THR A 51 -2.512 -6.317 2.483 1.00 0.00 H new ATOM 0 HA THR A 51 -5.273 -5.265 2.500 1.00 0.00 H new ATOM 0 HB THR A 51 -3.828 -6.923 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.729 -7.609 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.154 -7.458 5.185 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.838 -5.713 5.324 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.776 -6.340 3.948 1.00 0.00 H new ATOM 706 N ILE A 52 -4.773 -3.159 3.658 1.00 0.00 N ATOM 707 CA ILE A 52 -4.620 -1.887 4.329 1.00 0.00 C ATOM 708 C ILE A 52 -5.678 -1.882 5.430 1.00 0.00 C ATOM 709 O ILE A 52 -6.802 -2.331 5.185 1.00 0.00 O ATOM 710 CB ILE A 52 -4.812 -0.741 3.317 1.00 0.00 C ATOM 711 CG1 ILE A 52 -3.950 -0.972 2.059 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.452 0.595 3.975 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.993 0.195 1.067 1.00 0.00 C ATOM 0 H ILE A 52 -5.554 -3.170 3.002 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.628 -1.745 4.758 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.857 -0.717 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.917 -1.143 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.289 -1.878 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.589 1.403 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.098 0.762 4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.412 0.572 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.365 -0.035 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.019 0.353 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.626 1.099 1.553 1.00 0.00 H new ATOM 725 N TRP A 53 -5.325 -1.427 6.631 1.00 0.00 N ATOM 726 CA TRP A 53 -6.214 -1.378 7.772 1.00 0.00 C ATOM 727 C TRP A 53 -6.366 0.053 8.251 1.00 0.00 C ATOM 728 O TRP A 53 -5.496 0.902 8.026 1.00 0.00 O ATOM 729 CB TRP A 53 -5.638 -2.204 8.916 1.00 0.00 C ATOM 730 CG TRP A 53 -6.005 -3.647 8.927 1.00 0.00 C ATOM 731 CD1 TRP A 53 -7.022 -4.188 9.628 1.00 0.00 C ATOM 732 CD2 TRP A 53 -5.336 -4.758 8.272 1.00 0.00 C ATOM 733 NE1 TRP A 53 -7.009 -5.555 9.476 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.965 -5.972 8.674 1.00 0.00 C ATOM 735 CE3 TRP A 53 -4.205 -4.856 7.440 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -5.487 -7.227 8.266 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.675 -6.105 7.086 1.00 0.00 C ATOM 738 CH2 TRP A 53 -4.318 -7.291 7.486 1.00 0.00 C ATOM 0 H TRP A 53 -4.389 -1.076 6.834 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.182 -1.777 7.470 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.551 -2.126 8.883 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.961 -1.760 9.857 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.737 -3.633 10.218 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.688 -6.184 9.904 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.738 -3.956 7.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.009 -8.130 8.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.768 -6.157 6.503 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.914 -8.249 7.194 1.00 0.00 H new ATOM 749 N GLU A 54 -7.458 0.281 8.975 1.00 0.00 N ATOM 750 CA GLU A 54 -7.738 1.541 9.596 1.00 0.00 C ATOM 751 C GLU A 54 -6.562 1.946 10.450 1.00 0.00 C ATOM 752 O GLU A 54 -6.085 3.065 10.289 1.00 0.00 O ATOM 753 CB GLU A 54 -9.050 1.441 10.373 1.00 0.00 C ATOM 754 CG GLU A 54 -9.421 2.726 11.125 1.00 0.00 C ATOM 755 CD GLU A 54 -9.256 2.525 12.614 1.00 0.00 C ATOM 756 OE1 GLU A 54 -10.118 1.830 13.191 1.00 0.00 O ATOM 757 OE2 GLU A 54 -8.233 2.971 13.174 1.00 0.00 O ATOM 0 H GLU A 54 -8.175 -0.425 9.140 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.873 2.326 8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.854 1.191 9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.977 0.621 11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.789 3.548 10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.451 3.003 10.900 1.00 0.00 H new ATOM 764 N GLY A 55 -6.017 1.063 11.287 1.00 0.00 N ATOM 765 CA GLY A 55 -4.839 1.545 11.968 1.00 0.00 C ATOM 766 C GLY A 55 -4.102 0.688 12.956 1.00 0.00 C ATOM 767 O GLY A 55 -4.413 -0.469 13.193 1.00 0.00 O ATOM 0 H GLY A 55 -6.334 0.115 11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.122 1.830 11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.126 2.457 12.491 1.00 0.00 H new ATOM 771 N SER A 56 -3.060 1.337 13.468 1.00 0.00 N ATOM 772 CA SER A 56 -2.324 1.049 14.675 1.00 0.00 C ATOM 773 C SER A 56 -2.214 -0.436 15.006 1.00 0.00 C ATOM 774 O SER A 56 -2.955 -0.930 15.851 1.00 0.00 O ATOM 775 CB SER A 56 -2.968 1.850 15.817 1.00 0.00 C ATOM 776 OG SER A 56 -3.342 3.141 15.352 1.00 0.00 O ATOM 0 H SER A 56 -2.680 2.157 12.994 1.00 0.00 H new ATOM 0 HA SER A 56 -1.288 1.354 14.526 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.844 1.322 16.194 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.269 1.942 16.648 1.00 0.00 H new ATOM 0 HG SER A 56 -3.753 3.646 16.084 1.00 0.00 H new ATOM 782 N GLY A 57 -1.265 -1.139 14.397 1.00 0.00 N ATOM 783 CA GLY A 57 -1.193 -2.574 14.522 1.00 0.00 C ATOM 784 C GLY A 57 -2.200 -3.244 13.601 1.00 0.00 C ATOM 785 O GLY A 57 -2.570 -4.391 13.835 1.00 0.00 O ATOM 0 H GLY A 57 -0.537 -0.729 13.812 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.187 -2.915 14.279 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.387 -2.864 15.554 1.00 0.00 H new ATOM 789 N CYS A 58 -2.577 -2.555 12.516 1.00 0.00 N ATOM 790 CA CYS A 58 -3.455 -3.065 11.474 1.00 0.00 C ATOM 791 C CYS A 58 -4.662 -3.788 12.061 1.00 0.00 C ATOM 792 O CYS A 58 -4.852 -4.991 11.882 1.00 0.00 O ATOM 793 CB CYS A 58 -2.705 -3.852 10.381 1.00 0.00 C ATOM 794 SG CYS A 58 -1.440 -5.034 10.855 1.00 0.00 S ATOM 0 H CYS A 58 -2.266 -1.599 12.341 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.860 -2.204 10.942 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.451 -4.389 9.795 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.240 -3.125 9.716 1.00 0.00 H new ATOM 799 N VAL A 59 -5.484 -3.001 12.753 1.00 0.00 N ATOM 800 CA VAL A 59 -6.771 -3.368 13.288 1.00 0.00 C ATOM 801 C VAL A 59 -7.791 -2.352 12.778 1.00 0.00 C ATOM 802 O VAL A 59 -7.431 -1.395 12.085 1.00 0.00 O ATOM 803 CB VAL A 59 -6.686 -3.400 14.818 1.00 0.00 C ATOM 804 CG1 VAL A 59 -5.854 -4.601 15.275 1.00 0.00 C ATOM 805 CG2 VAL A 59 -6.102 -2.117 15.423 1.00 0.00 C ATOM 0 H VAL A 59 -5.243 -2.032 12.962 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.081 -4.361 12.964 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.711 -3.486 15.178 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.800 -4.613 16.364 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.321 -5.521 14.924 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.848 -4.524 14.863 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.071 -2.208 16.509 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.092 -1.962 15.043 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.727 -1.268 15.148 1.00 0.00 H new ATOM 815 N GLY A 60 -9.062 -2.566 13.098 1.00 0.00 N ATOM 816 CA GLY A 60 -10.147 -1.744 12.611 1.00 0.00 C ATOM 817 C GLY A 60 -10.625 -2.298 11.283 1.00 0.00 C ATOM 818 O GLY A 60 -10.563 -3.505 11.035 1.00 0.00 O ATOM 0 H GLY A 60 -9.364 -3.324 13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.965 -1.734 13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.814 -0.713 12.492 1.00 0.00 H new ATOM 822 N ARG A 61 -11.178 -1.440 10.440 1.00 0.00 N ATOM 823 CA ARG A 61 -11.670 -1.828 9.144 1.00 0.00 C ATOM 824 C ARG A 61 -10.497 -2.058 8.235 1.00 0.00 C ATOM 825 O ARG A 61 -9.397 -1.598 8.526 1.00 0.00 O ATOM 826 CB ARG A 61 -12.592 -0.712 8.686 1.00 0.00 C ATOM 827 CG ARG A 61 -13.175 -0.955 7.304 1.00 0.00 C ATOM 828 CD ARG A 61 -14.384 -0.039 7.187 1.00 0.00 C ATOM 829 NE ARG A 61 -15.596 -0.713 7.681 1.00 0.00 N ATOM 830 CZ ARG A 61 -16.426 -1.456 6.931 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.216 -1.563 5.619 1.00 0.00 N ATOM 832 NH2 ARG A 61 -17.441 -2.111 7.491 1.00 0.00 N ATOM 0 H ARG A 61 -11.295 -0.448 10.646 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.235 -2.760 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.405 -0.602 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.041 0.229 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.442 -0.734 6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.464 -1.999 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.211 0.874 7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.524 0.256 6.147 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.823 -0.607 8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.427 -1.081 5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.844 -2.126 5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.593 -2.051 8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.066 -2.673 6.913 1.00 0.00 H new ATOM 846 N SER A 62 -10.717 -2.806 7.163 1.00 0.00 N ATOM 847 CA SER A 62 -9.661 -3.065 6.230 1.00 0.00 C ATOM 848 C SER A 62 -10.190 -3.153 4.813 1.00 0.00 C ATOM 849 O SER A 62 -11.401 -3.232 4.586 1.00 0.00 O ATOM 850 CB SER A 62 -8.888 -4.312 6.659 1.00 0.00 C ATOM 851 OG SER A 62 -9.776 -5.340 7.059 1.00 0.00 O ATOM 0 H SER A 62 -11.613 -3.235 6.930 1.00 0.00 H new ATOM 0 HA SER A 62 -8.961 -2.229 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.267 -4.662 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.217 -4.065 7.481 1.00 0.00 H new ATOM 0 HG SER A 62 -9.262 -6.130 7.328 1.00 0.00 H new ATOM 857 N THR A 63 -9.279 -3.142 3.852 1.00 0.00 N ATOM 858 CA THR A 63 -9.588 -3.410 2.462 1.00 0.00 C ATOM 859 C THR A 63 -8.297 -3.925 1.826 1.00 0.00 C ATOM 860 O THR A 63 -7.222 -3.396 2.122 1.00 0.00 O ATOM 861 CB THR A 63 -10.171 -2.128 1.840 1.00 0.00 C ATOM 862 OG1 THR A 63 -10.814 -2.341 0.600 1.00 0.00 O ATOM 863 CG2 THR A 63 -9.152 -0.997 1.713 1.00 0.00 C ATOM 0 H THR A 63 -8.293 -2.944 4.021 1.00 0.00 H new ATOM 0 HA THR A 63 -10.350 -4.174 2.306 1.00 0.00 H new ATOM 0 HB THR A 63 -10.931 -1.815 2.556 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.162 -1.490 0.262 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.630 -0.125 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.772 -0.737 2.701 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.326 -1.321 1.080 1.00 0.00 H new ATOM 871 N THR A 64 -8.374 -4.979 1.019 1.00 0.00 N ATOM 872 CA THR A 64 -7.237 -5.451 0.255 1.00 0.00 C ATOM 873 C THR A 64 -7.193 -4.641 -1.029 1.00 0.00 C ATOM 874 O THR A 64 -8.045 -4.783 -1.906 1.00 0.00 O ATOM 875 CB THR A 64 -7.272 -6.972 0.079 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.327 -7.574 1.362 1.00 0.00 O ATOM 877 CG2 THR A 64 -6.016 -7.479 -0.636 1.00 0.00 C ATOM 0 H THR A 64 -9.225 -5.524 0.880 1.00 0.00 H new ATOM 0 HA THR A 64 -6.295 -5.289 0.779 1.00 0.00 H new ATOM 0 HB THR A 64 -8.145 -7.230 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.351 -8.549 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.072 -8.562 -0.745 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.947 -7.018 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.134 -7.218 -0.051 1.00 0.00 H new ATOM 885 N MET A 65 -6.245 -3.716 -1.100 1.00 0.00 N ATOM 886 CA MET A 65 -5.965 -2.937 -2.282 1.00 0.00 C ATOM 887 C MET A 65 -5.052 -3.795 -3.147 1.00 0.00 C ATOM 888 O MET A 65 -4.226 -4.540 -2.621 1.00 0.00 O ATOM 889 CB MET A 65 -5.279 -1.635 -1.840 1.00 0.00 C ATOM 890 CG MET A 65 -5.240 -0.578 -2.950 1.00 0.00 C ATOM 891 SD MET A 65 -6.843 0.140 -3.393 1.00 0.00 S ATOM 892 CE MET A 65 -7.189 1.154 -1.941 1.00 0.00 C ATOM 0 H MET A 65 -5.638 -3.487 -0.313 1.00 0.00 H new ATOM 0 HA MET A 65 -6.858 -2.669 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.804 -1.228 -0.976 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.261 -1.857 -1.520 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.574 0.227 -2.639 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.803 -1.027 -3.842 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.071 1.766 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.369 0.509 -1.081 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.335 1.800 -1.737 1.00 0.00 H new ATOM 902 N CYS A 66 -5.215 -3.698 -4.460 1.00 0.00 N ATOM 903 CA CYS A 66 -4.186 -4.091 -5.403 1.00 0.00 C ATOM 904 C CYS A 66 -3.947 -2.866 -6.259 1.00 0.00 C ATOM 905 O CYS A 66 -4.883 -2.105 -6.511 1.00 0.00 O ATOM 906 CB CYS A 66 -4.617 -5.247 -6.301 1.00 0.00 C ATOM 907 SG CYS A 66 -4.555 -6.899 -5.581 1.00 0.00 S ATOM 0 H CYS A 66 -6.066 -3.344 -4.897 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.300 -4.434 -4.868 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.638 -5.058 -6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.987 -5.240 -7.191 1.00 0.00 H new ATOM 912 N CYS A 67 -2.711 -2.648 -6.685 1.00 0.00 N ATOM 913 CA CYS A 67 -2.322 -1.542 -7.541 1.00 0.00 C ATOM 914 C CYS A 67 -1.477 -2.097 -8.685 1.00 0.00 C ATOM 915 O CYS A 67 -0.380 -2.595 -8.421 1.00 0.00 O ATOM 916 CB CYS A 67 -1.514 -0.529 -6.738 1.00 0.00 C ATOM 917 SG CYS A 67 -1.138 0.927 -7.730 1.00 0.00 S ATOM 0 H CYS A 67 -1.930 -3.255 -6.436 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.206 -1.043 -7.939 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.073 -0.234 -5.850 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.587 -0.988 -6.394 1.00 0.00 H new ATOM 922 N PRO A 68 -1.988 -2.118 -9.924 1.00 0.00 N ATOM 923 CA PRO A 68 -1.248 -2.604 -11.077 1.00 0.00 C ATOM 924 C PRO A 68 0.136 -1.982 -11.176 1.00 0.00 C ATOM 925 O PRO A 68 0.326 -0.828 -10.796 1.00 0.00 O ATOM 926 CB PRO A 68 -2.104 -2.220 -12.278 1.00 0.00 C ATOM 927 CG PRO A 68 -3.522 -2.276 -11.727 1.00 0.00 C ATOM 928 CD PRO A 68 -3.329 -1.712 -10.320 1.00 0.00 C ATOM 0 HA PRO A 68 -1.075 -3.678 -11.012 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.855 -1.226 -12.648 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.967 -2.913 -13.108 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.215 -1.676 -12.317 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.915 -3.293 -11.710 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.429 -0.627 -10.314 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.078 -2.105 -9.633 1.00 0.00 H new ATOM 936 N ALA A 69 1.105 -2.738 -11.681 1.00 0.00 N ATOM 937 CA ALA A 69 2.466 -2.261 -11.751 1.00 0.00 C ATOM 938 C ALA A 69 2.614 -1.229 -12.857 1.00 0.00 C ATOM 939 O ALA A 69 1.804 -1.167 -13.792 1.00 0.00 O ATOM 940 CB ALA A 69 3.454 -3.404 -11.965 1.00 0.00 C ATOM 0 H ALA A 69 0.966 -3.681 -12.045 1.00 0.00 H new ATOM 0 HA ALA A 69 2.697 -1.793 -10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.467 -3.005 -12.012 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.380 -4.109 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.222 -3.916 -12.899 1.00 0.00 H new ATOM 946 N ASN A 70 3.683 -0.441 -12.762 1.00 0.00 N ATOM 947 CA ASN A 70 3.937 0.669 -13.668 1.00 0.00 C ATOM 948 C ASN A 70 2.804 1.686 -13.492 1.00 0.00 C ATOM 949 O ASN A 70 2.280 2.232 -14.463 1.00 0.00 O ATOM 950 CB ASN A 70 4.132 0.155 -15.117 1.00 0.00 C ATOM 951 CG ASN A 70 5.544 0.388 -15.631 1.00 0.00 C ATOM 952 OD1 ASN A 70 5.915 1.517 -15.938 1.00 0.00 O ATOM 953 ND2 ASN A 70 6.360 -0.657 -15.729 1.00 0.00 N ATOM 0 H ASN A 70 4.401 -0.559 -12.047 1.00 0.00 H new ATOM 0 HA ASN A 70 4.871 1.180 -13.434 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.906 -0.911 -15.155 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.422 0.655 -15.775 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.315 -0.529 -16.065 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.031 -1.587 -15.469 1.00 0.00 H new ATOM 960 N THR A 71 2.373 1.901 -12.244 1.00 0.00 N ATOM 961 CA THR A 71 1.301 2.825 -11.932 1.00 0.00 C ATOM 962 C THR A 71 1.396 3.316 -10.480 1.00 0.00 C ATOM 963 O THR A 71 2.040 2.703 -9.625 1.00 0.00 O ATOM 964 CB THR A 71 -0.053 2.200 -12.340 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.613 2.942 -13.412 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.094 2.085 -11.226 1.00 0.00 C ATOM 0 H THR A 71 2.765 1.433 -11.427 1.00 0.00 H new ATOM 0 HA THR A 71 1.395 3.737 -12.521 1.00 0.00 H new ATOM 0 HB THR A 71 0.187 1.176 -12.625 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.470 2.545 -13.672 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.003 1.634 -11.623 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.700 1.462 -10.423 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.321 3.077 -10.837 1.00 0.00 H new ATOM 974 N CYS A 72 0.736 4.444 -10.228 1.00 0.00 N ATOM 975 CA CYS A 72 0.547 5.121 -8.954 1.00 0.00 C ATOM 976 C CYS A 72 -0.925 4.992 -8.562 1.00 0.00 C ATOM 977 O CYS A 72 -1.781 5.222 -9.412 1.00 0.00 O ATOM 978 CB CYS A 72 0.882 6.598 -9.174 1.00 0.00 C ATOM 979 SG CYS A 72 -0.132 7.748 -8.242 1.00 0.00 S ATOM 0 H CYS A 72 0.278 4.952 -10.984 1.00 0.00 H new ATOM 0 HA CYS A 72 1.176 4.695 -8.172 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.927 6.762 -8.911 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.781 6.825 -10.235 1.00 0.00 H new ATOM 984 N CYS A 73 -1.241 4.655 -7.309 1.00 0.00 N ATOM 985 CA CYS A 73 -2.604 4.505 -6.814 1.00 0.00 C ATOM 986 C CYS A 73 -2.796 5.354 -5.563 1.00 0.00 C ATOM 987 O CYS A 73 -1.933 5.352 -4.688 1.00 0.00 O ATOM 988 CB CYS A 73 -2.878 3.048 -6.449 1.00 0.00 C ATOM 989 SG CYS A 73 -2.971 1.910 -7.842 1.00 0.00 S ATOM 0 H CYS A 73 -0.535 4.475 -6.595 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.290 4.826 -7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.094 2.706 -5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.817 2.999 -5.898 1.00 0.00 H new ATOM 994 N ASN A 74 -3.924 6.061 -5.452 1.00 0.00 N ATOM 995 CA ASN A 74 -4.249 6.890 -4.290 1.00 0.00 C ATOM 996 C ASN A 74 -4.848 6.056 -3.153 1.00 0.00 C ATOM 997 O ASN A 74 -5.816 5.322 -3.355 1.00 0.00 O ATOM 998 CB ASN A 74 -5.223 8.001 -4.695 1.00 0.00 C ATOM 999 CG ASN A 74 -5.790 8.769 -3.505 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.982 9.058 -3.477 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -4.980 9.103 -2.508 1.00 0.00 N ATOM 0 H ASN A 74 -4.644 6.073 -6.174 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.322 7.334 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.712 8.698 -5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.045 7.565 -5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.346 9.608 -1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.992 8.854 -2.549 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.268 6.167 -1.959 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.667 5.515 -0.721 1.00 0.00 C ATOM 1010 C ILE A 75 -5.554 6.504 0.030 1.00 0.00 C ATOM 1011 O ILE A 75 -5.069 7.310 0.816 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.369 5.115 0.025 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -2.854 3.775 -0.493 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -3.420 4.952 1.546 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.711 3.746 -2.002 1.00 0.00 C ATOM 0 H ILE A 75 -3.448 6.759 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.246 4.601 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.735 5.978 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.888 3.561 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.536 2.984 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.434 4.671 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.723 5.894 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.139 4.175 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.341 2.769 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.681 3.931 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.007 4.517 -2.316 1.00 0.00 H new ATOM 1027 N ASN A 76 -6.858 6.486 -0.233 1.00 0.00 N ATOM 1028 CA ASN A 76 -7.823 7.303 0.494 1.00 0.00 C ATOM 1029 C ASN A 76 -9.157 6.581 0.405 1.00 0.00 C ATOM 1030 O ASN A 76 -10.097 7.032 -0.247 1.00 0.00 O ATOM 1031 CB ASN A 76 -7.901 8.733 -0.063 1.00 0.00 C ATOM 1032 CG ASN A 76 -6.958 9.718 0.618 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -6.446 10.697 -0.116 1.00 0.00 O flip ATOM 1034 ND2 ASN A 76 -6.747 9.663 1.828 1.00 0.00 N flip ATOM 0 H ASN A 76 -7.275 5.903 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.521 7.422 1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.676 8.709 -1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.924 9.096 0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.146 8.905 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.173 10.375 2.278 1.00 0.00 H new ATOM 1041 N THR A 77 -9.224 5.430 1.064 1.00 0.00 N ATOM 1042 CA THR A 77 -10.386 4.567 1.052 1.00 0.00 C ATOM 1043 C THR A 77 -11.486 5.193 1.910 1.00 0.00 C ATOM 1044 O THR A 77 -11.275 6.238 2.519 1.00 0.00 O ATOM 1045 CB THR A 77 -9.926 3.191 1.564 1.00 0.00 C ATOM 1046 OG1 THR A 77 -8.935 3.357 2.567 1.00 0.00 O ATOM 1047 CG2 THR A 77 -9.274 2.412 0.417 1.00 0.00 C ATOM 0 H THR A 77 -8.456 5.069 1.630 1.00 0.00 H new ATOM 0 HA THR A 77 -10.809 4.444 0.055 1.00 0.00 H new ATOM 0 HB THR A 77 -10.794 2.662 1.958 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.647 2.478 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.948 1.437 0.779 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.996 2.277 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.413 2.967 0.043 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.666 4.578 1.960 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.811 5.123 2.676 1.00 0.00 C ATOM 1057 C GLY A 78 -13.415 5.596 4.074 1.00 0.00 C ATOM 1058 O GLY A 78 -13.678 6.738 4.450 1.00 0.00 O ATOM 0 H GLY A 78 -12.852 3.685 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.232 5.956 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.590 4.364 2.753 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.732 4.714 4.799 1.00 0.00 N ATOM 1063 CA PHE A 79 -12.205 4.958 6.131 1.00 0.00 C ATOM 1064 C PHE A 79 -10.793 5.501 6.062 1.00 0.00 C ATOM 1065 O PHE A 79 -10.111 5.389 5.038 1.00 0.00 O ATOM 1066 CB PHE A 79 -12.249 3.672 6.966 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.528 2.475 6.361 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -12.065 1.765 5.269 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.261 2.122 6.858 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -11.287 0.791 4.616 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -9.511 1.111 6.239 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.013 0.461 5.104 1.00 0.00 C ATOM 0 H PHE A 79 -12.525 3.775 4.458 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.831 5.708 6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.815 3.879 7.944 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.292 3.401 7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.071 1.968 4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.863 2.633 7.722 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.671 0.296 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.546 0.834 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.421 -0.292 4.606 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.380 6.109 7.170 1.00 0.00 N ATOM 1083 CA TYR A 80 -9.040 6.627 7.330 1.00 0.00 C ATOM 1084 C TYR A 80 -8.088 5.459 7.561 1.00 0.00 C ATOM 1085 O TYR A 80 -8.442 4.537 8.287 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.974 7.607 8.504 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.560 8.077 8.806 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.824 8.757 7.818 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.910 7.642 9.978 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -5.449 8.982 7.991 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.536 7.880 10.154 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.800 8.522 9.146 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.466 8.754 9.307 1.00 0.00 O ATOM 0 H TYR A 80 -10.977 6.253 7.985 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.751 7.167 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.599 8.472 8.284 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.390 7.131 9.392 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.318 9.107 6.924 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.469 7.124 10.743 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.890 9.510 7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.046 7.569 11.065 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.168 8.373 10.159 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.904 5.486 6.952 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.980 4.373 6.921 1.00 0.00 C ATOM 1105 C ILE A 81 -4.713 4.734 7.692 1.00 0.00 C ATOM 1106 O ILE A 81 -4.191 5.836 7.527 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.656 3.977 5.483 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.489 5.237 4.628 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.730 3.010 4.958 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.800 5.680 3.992 1.00 0.00 C ATOM 0 H ILE A 81 -6.559 6.308 6.456 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.446 3.512 7.400 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.708 3.441 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.097 6.044 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.754 5.048 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.496 2.729 3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.752 2.117 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.704 3.498 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.631 6.577 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.180 4.885 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.529 5.896 4.773 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.207 3.828 8.526 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.983 4.050 9.281 1.00 0.00 C ATOM 1124 C ARG A 82 -2.037 2.845 9.294 1.00 0.00 C ATOM 1125 O ARG A 82 -0.858 3.038 9.581 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.293 4.632 10.670 1.00 0.00 C ATOM 1127 CG ARG A 82 -2.036 4.699 11.538 1.00 0.00 C ATOM 1128 CD ARG A 82 -2.250 5.534 12.800 1.00 0.00 C ATOM 1129 NE ARG A 82 -1.086 5.433 13.700 1.00 0.00 N ATOM 1130 CZ ARG A 82 0.183 5.705 13.354 1.00 0.00 C ATOM 1131 NH1 ARG A 82 0.446 6.471 12.297 1.00 0.00 N ATOM 1132 NH2 ARG A 82 1.202 5.191 14.042 1.00 0.00 N ATOM 0 H ARG A 82 -4.637 2.919 8.695 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.408 4.808 8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.716 5.631 10.562 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.046 4.018 11.164 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.736 3.689 11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.218 5.125 10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.415 6.576 12.528 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.147 5.194 13.318 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.258 5.133 14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.319 6.856 11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.413 6.673 12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.023 4.583 14.841 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.161 5.405 13.769 1.00 0.00 H new ATOM 1146 N SER A 83 -2.483 1.615 9.021 1.00 0.00 N ATOM 1147 CA SER A 83 -1.515 0.516 8.827 1.00 0.00 C ATOM 1148 C SER A 83 -1.815 -0.313 7.577 1.00 0.00 C ATOM 1149 O SER A 83 -2.850 -0.118 6.948 1.00 0.00 O ATOM 1150 CB SER A 83 -1.425 -0.392 10.054 1.00 0.00 C ATOM 1151 OG SER A 83 -1.228 0.311 11.272 1.00 0.00 O ATOM 0 H SER A 83 -3.465 1.355 8.931 1.00 0.00 H new ATOM 0 HA SER A 83 -0.546 0.995 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.340 -0.980 10.128 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.605 -1.096 9.914 1.00 0.00 H new ATOM 0 HG SER A 83 -0.593 -0.180 11.834 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.933 -1.257 7.238 1.00 0.00 N ATOM 1158 CA TYR A 84 -1.088 -2.181 6.121 1.00 0.00 C ATOM 1159 C TYR A 84 -0.071 -3.317 6.209 1.00 0.00 C ATOM 1160 O TYR A 84 0.825 -3.280 7.050 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.928 -1.449 4.776 1.00 0.00 C ATOM 1162 CG TYR A 84 0.492 -1.037 4.439 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.121 -0.018 5.175 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.195 -1.679 3.402 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.448 0.338 4.896 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.499 -1.272 3.080 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.146 -0.298 3.858 1.00 0.00 C ATOM 1168 OH TYR A 84 4.418 0.072 3.552 1.00 0.00 O ATOM 0 H TYR A 84 -0.064 -1.400 7.753 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.093 -2.600 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.302 -2.094 3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.557 -0.559 4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.580 0.492 5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.731 -2.485 2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.934 1.104 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.006 -1.709 2.232 1.00 0.00 H new ATOM 0 HH TYR A 84 4.785 0.614 4.281 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.213 -4.302 5.323 1.00 0.00 N ATOM 1179 CA ARG A 85 0.687 -5.434 5.157 1.00 0.00 C ATOM 1180 C ARG A 85 0.610 -5.807 3.669 1.00 0.00 C ATOM 1181 O ARG A 85 -0.498 -6.015 3.172 1.00 0.00 O ATOM 1182 CB ARG A 85 0.164 -6.550 6.084 1.00 0.00 C ATOM 1183 CG ARG A 85 1.084 -7.730 6.410 1.00 0.00 C ATOM 1184 CD ARG A 85 1.394 -8.615 5.202 1.00 0.00 C ATOM 1185 NE ARG A 85 1.790 -9.975 5.621 1.00 0.00 N ATOM 1186 CZ ARG A 85 1.851 -11.056 4.824 1.00 0.00 C ATOM 1187 NH1 ARG A 85 1.668 -10.932 3.511 1.00 0.00 N ATOM 1188 NH2 ARG A 85 2.145 -12.253 5.319 1.00 0.00 N ATOM 0 H ARG A 85 -0.998 -4.330 4.672 1.00 0.00 H new ATOM 0 HA ARG A 85 1.727 -5.239 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.125 -6.087 7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.744 -6.953 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.019 -7.349 6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.620 -8.338 7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.518 -8.672 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.195 -8.165 4.615 1.00 0.00 H new ATOM 0 HE ARG A 85 2.039 -10.105 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.481 -10.015 3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.715 -11.754 2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.328 -12.361 6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.188 -13.064 4.702 1.00 0.00 H new ATOM 1202 N ARG A 86 1.730 -5.846 2.933 1.00 0.00 N ATOM 1203 CA ARG A 86 1.728 -6.267 1.529 1.00 0.00 C ATOM 1204 C ARG A 86 1.375 -7.756 1.464 1.00 0.00 C ATOM 1205 O ARG A 86 1.855 -8.520 2.301 1.00 0.00 O ATOM 1206 CB ARG A 86 3.076 -5.982 0.840 1.00 0.00 C ATOM 1207 CG ARG A 86 2.954 -6.233 -0.670 1.00 0.00 C ATOM 1208 CD ARG A 86 4.257 -6.234 -1.475 1.00 0.00 C ATOM 1209 NE ARG A 86 3.980 -6.832 -2.794 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.501 -6.488 -3.976 1.00 0.00 C ATOM 1211 NH1 ARG A 86 5.512 -5.634 -4.071 1.00 0.00 N ATOM 1212 NH2 ARG A 86 3.983 -6.979 -5.092 1.00 0.00 N ATOM 0 H ARG A 86 2.650 -5.590 3.290 1.00 0.00 H new ATOM 0 HA ARG A 86 0.980 -5.688 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.377 -4.950 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.852 -6.620 1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.463 -7.195 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.296 -5.472 -1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.634 -5.218 -1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.026 -6.803 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 86 3.310 -7.601 -2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.912 -5.221 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.889 -5.390 -4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.189 -7.618 -5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.378 -6.718 -5.995 1.00 0.00 H new ATOM 1226 N VAL A 87 0.547 -8.183 0.510 1.00 0.00 N ATOM 1227 CA VAL A 87 0.028 -9.546 0.447 1.00 0.00 C ATOM 1228 C VAL A 87 0.385 -10.268 -0.848 1.00 0.00 C ATOM 1229 O VAL A 87 0.486 -11.493 -0.827 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.481 -9.576 0.727 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -1.759 -9.009 2.120 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.309 -8.815 -0.313 1.00 0.00 C ATOM 0 H VAL A 87 0.216 -7.585 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 87 0.527 -10.105 1.238 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.788 -10.620 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.831 -9.032 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.241 -9.610 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.403 -7.980 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.366 -8.877 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.001 -7.770 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.151 -9.256 -1.297 1.00 0.00 H new ATOM 1242 N GLU A 88 0.573 -9.551 -1.954 1.00 0.00 N ATOM 1243 CA GLU A 88 1.002 -10.125 -3.214 1.00 0.00 C ATOM 1244 C GLU A 88 1.736 -9.010 -3.958 1.00 0.00 C ATOM 1245 CB GLU A 88 -0.214 -10.636 -3.996 1.00 0.00 C ATOM 1246 CG GLU A 88 0.170 -11.592 -5.139 1.00 0.00 C ATOM 1247 CD GLU A 88 0.721 -12.911 -4.643 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -0.015 -13.594 -3.902 1.00 0.00 O ATOM 1249 OE2 GLU A 88 1.850 -13.261 -5.035 1.00 0.00 O ATOM 0 H GLU A 88 0.428 -8.542 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 88 1.661 -10.982 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.891 -11.148 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.759 -9.786 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.707 -11.780 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.912 -11.110 -5.775 1.00 0.00 H new