USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 ASN : amide:sc= -1.95! C(o=-1.9!,f=-2.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 134:sc= -1.6! USER MOD Single : A 20 HIS : no HE2:sc= -8.1! C(o=-8.1!,f=-11!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 170:sc= -2.07! USER MOD Single : A 45 ASN : amide:sc= 0.5 K(o=0.5,f=-0.016) USER MOD Single : A 48 MET CE :methyl 153:sc= -1.17 (180deg=-2.25) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -4.29! C(o=-4.3!,f=-3.1!) USER MOD Single : A 54 GLN : amide:sc= -0.175 K(o=-0.17,f=-1) USER MOD Single : A 59 MET CE :methyl -178:sc= -0.215 (180deg=-0.224) USER MOD Single : A 60 ASN : amide:sc= -18.8! C(o=-19!,f=-12!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.08! K(o=-1.1!,f=-2.2) USER MOD Single : A 67 THR OG1 : rot 101:sc= 0.844 USER MOD Single : A 68 MET CE :methyl -141:sc= -1.52 (180deg=-5.61!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 50:sc= -6.94! USER MOD Single : A 73 THR OG1 : rot 107:sc= 0.768 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -112:sc= 0.331 USER MOD Single : A 82 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.92) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 91 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.013) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 28:sc= 0.0896 USER MOD Single : A 98 SER OG : rot 66:sc= 0.0459 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0968 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -13.180 13.553 -8.101 1.00 0.00 N ATOM 2 CA SER A 12 -13.903 12.556 -7.270 1.00 0.00 C ATOM 3 C SER A 12 -12.989 11.962 -6.203 1.00 0.00 C ATOM 4 O SER A 12 -11.765 11.994 -6.330 1.00 0.00 O ATOM 5 CB SER A 12 -14.432 11.451 -8.186 1.00 0.00 C ATOM 6 OG SER A 12 -13.408 10.527 -8.517 1.00 0.00 O ATOM 0 HA SER A 12 -14.730 13.048 -6.758 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.252 10.928 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.836 11.892 -9.097 1.00 0.00 H new ATOM 0 HG SER A 12 -13.773 9.830 -9.102 1.00 0.00 H new ATOM 11 N GLY A 13 -13.592 11.419 -5.150 1.00 0.00 N ATOM 12 CA GLY A 13 -12.818 10.827 -4.075 1.00 0.00 C ATOM 13 C GLY A 13 -13.601 9.784 -3.303 1.00 0.00 C ATOM 14 O GLY A 13 -14.807 9.633 -3.499 1.00 0.00 O ATOM 0 H GLY A 13 -14.603 11.379 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.919 10.370 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.492 11.611 -3.392 1.00 0.00 H new ATOM 18 N VAL A 14 -12.915 9.062 -2.423 1.00 0.00 N ATOM 19 CA VAL A 14 -13.554 8.028 -1.619 1.00 0.00 C ATOM 20 C VAL A 14 -12.790 7.790 -0.321 1.00 0.00 C ATOM 21 O VAL A 14 -11.624 8.162 -0.198 1.00 0.00 O ATOM 22 CB VAL A 14 -13.657 6.699 -2.391 1.00 0.00 C ATOM 23 CG1 VAL A 14 -14.921 6.667 -3.236 1.00 0.00 C ATOM 24 CG2 VAL A 14 -12.423 6.488 -3.256 1.00 0.00 C ATOM 0 H VAL A 14 -11.916 9.174 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 14 -14.558 8.384 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.711 5.884 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.975 5.720 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.793 6.768 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.902 7.490 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.513 5.544 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.335 7.306 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.536 6.462 -2.624 1.00 0.00 H new ATOM 34 N PRO A 15 -13.445 7.160 0.665 1.00 0.00 N ATOM 35 CA PRO A 15 -12.831 6.866 1.963 1.00 0.00 C ATOM 36 C PRO A 15 -11.504 6.129 1.822 1.00 0.00 C ATOM 37 O PRO A 15 -10.455 6.635 2.220 1.00 0.00 O ATOM 38 CB PRO A 15 -13.865 5.975 2.655 1.00 0.00 C ATOM 39 CG PRO A 15 -15.163 6.330 2.014 1.00 0.00 C ATOM 40 CD PRO A 15 -14.838 6.685 0.588 1.00 0.00 C ATOM 0 HA PRO A 15 -12.595 7.775 2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.632 4.919 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.891 6.159 3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -15.862 5.494 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -15.635 7.168 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.933 5.823 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -15.505 7.456 0.204 1.00 0.00 H new ATOM 48 N SER A 16 -11.558 4.929 1.253 1.00 0.00 N ATOM 49 CA SER A 16 -10.361 4.119 1.059 1.00 0.00 C ATOM 50 C SER A 16 -9.808 3.635 2.395 1.00 0.00 C ATOM 51 O SER A 16 -10.096 4.214 3.443 1.00 0.00 O ATOM 52 CB SER A 16 -9.292 4.920 0.313 1.00 0.00 C ATOM 53 OG SER A 16 -8.103 4.165 0.163 1.00 0.00 O ATOM 0 H SER A 16 -12.419 4.496 0.918 1.00 0.00 H new ATOM 0 HA SER A 16 -10.636 3.249 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.669 5.210 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.077 5.840 0.857 1.00 0.00 H new ATOM 0 HG SER A 16 -7.776 4.248 -0.757 1.00 0.00 H new ATOM 59 N ARG A 17 -9.013 2.571 2.351 1.00 0.00 N ATOM 60 CA ARG A 17 -8.421 2.010 3.558 1.00 0.00 C ATOM 61 C ARG A 17 -7.308 1.026 3.212 1.00 0.00 C ATOM 62 O ARG A 17 -6.249 1.024 3.839 1.00 0.00 O ATOM 63 CB ARG A 17 -9.491 1.311 4.399 1.00 0.00 C ATOM 64 CG ARG A 17 -9.524 1.772 5.846 1.00 0.00 C ATOM 65 CD ARG A 17 -10.905 2.269 6.240 1.00 0.00 C ATOM 66 NE ARG A 17 -11.362 1.679 7.495 1.00 0.00 N ATOM 67 CZ ARG A 17 -12.579 1.866 7.995 1.00 0.00 C ATOM 68 NH1 ARG A 17 -13.455 2.622 7.350 1.00 0.00 N ATOM 69 NH2 ARG A 17 -12.921 1.294 9.143 1.00 0.00 N ATOM 0 H ARG A 17 -8.764 2.080 1.492 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.992 2.829 4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.468 1.487 3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.317 0.235 4.373 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.233 0.949 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.794 2.568 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.886 3.355 6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.615 2.031 5.448 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.712 1.091 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.196 3.062 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.388 2.764 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.250 0.710 9.642 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.855 1.438 9.526 1.00 0.00 H new ATOM 83 N VAL A 18 -7.557 0.189 2.209 1.00 0.00 N ATOM 84 CA VAL A 18 -6.576 -0.801 1.780 1.00 0.00 C ATOM 85 C VAL A 18 -5.859 -0.350 0.512 1.00 0.00 C ATOM 86 O VAL A 18 -6.441 -0.345 -0.573 1.00 0.00 O ATOM 87 CB VAL A 18 -7.235 -2.169 1.526 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.178 -3.232 1.273 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.125 -2.558 2.695 1.00 0.00 C ATOM 0 H VAL A 18 -8.429 0.177 1.679 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.851 -0.900 2.588 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.859 -2.092 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.663 -4.192 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.587 -2.957 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.525 -3.310 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.582 -3.528 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.526 -2.618 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.906 -1.808 2.823 1.00 0.00 H new ATOM 99 N ILE A 19 -4.593 0.026 0.657 1.00 0.00 N ATOM 100 CA ILE A 19 -3.796 0.478 -0.478 1.00 0.00 C ATOM 101 C ILE A 19 -3.004 -0.680 -1.083 1.00 0.00 C ATOM 102 O ILE A 19 -2.091 -1.219 -0.457 1.00 0.00 O ATOM 103 CB ILE A 19 -2.839 1.629 -0.064 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.523 2.979 -0.268 1.00 0.00 C ATOM 105 CG2 ILE A 19 -1.532 1.585 -0.847 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.597 3.272 0.752 1.00 0.00 C ATOM 0 H ILE A 19 -4.097 0.027 1.548 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.482 0.859 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.600 1.497 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.771 3.767 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.963 3.007 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.889 2.406 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.028 0.637 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.743 1.681 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.039 4.247 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.369 2.505 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.159 3.277 1.750 1.00 0.00 H new ATOM 118 N HIS A 20 -3.356 -1.045 -2.311 1.00 0.00 N ATOM 119 CA HIS A 20 -2.678 -2.127 -3.014 1.00 0.00 C ATOM 120 C HIS A 20 -1.418 -1.607 -3.700 1.00 0.00 C ATOM 121 O HIS A 20 -1.489 -0.751 -4.581 1.00 0.00 O ATOM 122 CB HIS A 20 -3.618 -2.755 -4.045 1.00 0.00 C ATOM 123 CG HIS A 20 -2.908 -3.494 -5.138 1.00 0.00 C ATOM 124 ND1 HIS A 20 -3.027 -3.163 -6.471 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.067 -4.554 -5.088 1.00 0.00 C ATOM 126 CE1 HIS A 20 -2.292 -3.989 -7.194 1.00 0.00 C ATOM 127 NE2 HIS A 20 -1.699 -4.841 -6.380 1.00 0.00 N ATOM 0 H HIS A 20 -4.109 -0.606 -2.841 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.391 -2.888 -2.289 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.295 -3.441 -3.536 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.232 -1.971 -4.488 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -3.594 -2.400 -6.841 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.746 -5.076 -4.199 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.193 -3.970 -8.269 1.00 0.00 H new ATOM 136 N ILE A 21 -0.267 -2.125 -3.286 1.00 0.00 N ATOM 137 CA ILE A 21 1.006 -1.705 -3.860 1.00 0.00 C ATOM 138 C ILE A 21 1.361 -2.527 -5.093 1.00 0.00 C ATOM 139 O ILE A 21 1.886 -3.635 -4.982 1.00 0.00 O ATOM 140 CB ILE A 21 2.150 -1.820 -2.835 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.747 -1.166 -1.513 1.00 0.00 C ATOM 142 CG2 ILE A 21 3.418 -1.183 -3.384 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.889 -1.040 -0.528 1.00 0.00 C ATOM 0 H ILE A 21 -0.189 -2.834 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 21 0.887 -0.661 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 21 2.348 -2.876 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.342 -0.175 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.947 -1.750 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.218 -1.272 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.712 -1.691 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.234 -0.129 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.530 -0.568 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.280 -2.031 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.681 -0.431 -0.965 1.00 0.00 H new ATOM 155 N ARG A 22 1.079 -1.974 -6.268 1.00 0.00 N ATOM 156 CA ARG A 22 1.378 -2.654 -7.523 1.00 0.00 C ATOM 157 C ARG A 22 2.863 -2.545 -7.847 1.00 0.00 C ATOM 158 O ARG A 22 3.619 -1.905 -7.117 1.00 0.00 O ATOM 159 CB ARG A 22 0.548 -2.057 -8.662 1.00 0.00 C ATOM 160 CG ARG A 22 -0.333 -3.074 -9.369 1.00 0.00 C ATOM 161 CD ARG A 22 0.160 -3.353 -10.780 1.00 0.00 C ATOM 162 NE ARG A 22 -0.432 -4.567 -11.336 1.00 0.00 N ATOM 163 CZ ARG A 22 -0.359 -4.899 -12.620 1.00 0.00 C ATOM 164 NH1 ARG A 22 0.278 -4.112 -13.477 1.00 0.00 N ATOM 165 NH2 ARG A 22 -0.923 -6.020 -13.050 1.00 0.00 N ATOM 0 H ARG A 22 0.644 -1.058 -6.377 1.00 0.00 H new ATOM 0 HA ARG A 22 1.120 -3.707 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.079 -1.259 -8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.219 -1.602 -9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.349 -4.002 -8.798 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.358 -2.705 -9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.080 -2.506 -11.422 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.246 -3.450 -10.772 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.929 -5.194 -10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.713 -3.249 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.332 -4.370 -14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.414 -6.628 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.866 -6.274 -14.036 1.00 0.00 H new ATOM 179 N LYS A 23 3.278 -3.174 -8.943 1.00 0.00 N ATOM 180 CA LYS A 23 4.678 -3.141 -9.352 1.00 0.00 C ATOM 181 C LYS A 23 5.592 -3.194 -8.135 1.00 0.00 C ATOM 182 O LYS A 23 6.619 -2.518 -8.087 1.00 0.00 O ATOM 183 CB LYS A 23 4.967 -1.874 -10.157 1.00 0.00 C ATOM 184 CG LYS A 23 5.862 -2.109 -11.364 1.00 0.00 C ATOM 185 CD LYS A 23 5.196 -3.021 -12.380 1.00 0.00 C ATOM 186 CE LYS A 23 6.100 -3.280 -13.575 1.00 0.00 C ATOM 187 NZ LYS A 23 5.656 -2.528 -14.781 1.00 0.00 N ATOM 0 H LYS A 23 2.668 -3.710 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 23 4.871 -4.013 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.023 -1.444 -10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.437 -1.139 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.102 -1.154 -11.832 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.804 -2.550 -11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.938 -3.968 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.264 -2.570 -12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.122 -2.995 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.112 -4.347 -13.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.298 -2.732 -15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.690 -2.818 -15.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.669 -1.508 -14.578 1.00 0.00 H new ATOM 201 N LEU A 24 5.207 -3.998 -7.150 1.00 0.00 N ATOM 202 CA LEU A 24 5.991 -4.133 -5.929 1.00 0.00 C ATOM 203 C LEU A 24 6.365 -5.587 -5.681 1.00 0.00 C ATOM 204 O LEU A 24 5.560 -6.369 -5.175 1.00 0.00 O ATOM 205 CB LEU A 24 5.206 -3.587 -4.733 1.00 0.00 C ATOM 206 CG LEU A 24 6.021 -3.353 -3.453 1.00 0.00 C ATOM 207 CD1 LEU A 24 5.212 -3.743 -2.225 1.00 0.00 C ATOM 208 CD2 LEU A 24 7.331 -4.127 -3.491 1.00 0.00 C ATOM 0 H LEU A 24 4.359 -4.564 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 24 6.908 -3.556 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.744 -2.644 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.397 -4.281 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 24 6.255 -2.290 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.806 -3.570 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.305 -3.141 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.945 -4.798 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.889 -3.944 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.121 -5.193 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.922 -3.800 -4.346 1.00 0.00 H new ATOM 220 N PRO A 25 7.603 -5.966 -6.028 1.00 0.00 N ATOM 221 CA PRO A 25 8.092 -7.332 -5.835 1.00 0.00 C ATOM 222 C PRO A 25 8.001 -7.764 -4.377 1.00 0.00 C ATOM 223 O PRO A 25 9.012 -7.832 -3.678 1.00 0.00 O ATOM 224 CB PRO A 25 9.557 -7.260 -6.280 1.00 0.00 C ATOM 225 CG PRO A 25 9.632 -6.063 -7.165 1.00 0.00 C ATOM 226 CD PRO A 25 8.621 -5.090 -6.630 1.00 0.00 C ATOM 0 HA PRO A 25 7.505 -8.060 -6.394 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.225 -7.161 -5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.853 -8.164 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.633 -5.632 -7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.410 -6.327 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.060 -4.416 -5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.202 -4.468 -7.421 1.00 0.00 H new ATOM 234 N ILE A 26 6.781 -8.048 -3.924 1.00 0.00 N ATOM 235 CA ILE A 26 6.553 -8.467 -2.546 1.00 0.00 C ATOM 236 C ILE A 26 7.730 -9.281 -2.024 1.00 0.00 C ATOM 237 O ILE A 26 8.065 -10.333 -2.569 1.00 0.00 O ATOM 238 CB ILE A 26 5.252 -9.282 -2.413 1.00 0.00 C ATOM 239 CG1 ILE A 26 4.040 -8.354 -2.506 1.00 0.00 C ATOM 240 CG2 ILE A 26 5.227 -10.055 -1.102 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.935 -7.381 -1.351 1.00 0.00 C ATOM 0 H ILE A 26 5.936 -7.995 -4.493 1.00 0.00 H new ATOM 0 HA ILE A 26 6.454 -7.563 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 26 5.212 -10.001 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.092 -7.794 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.133 -8.957 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.299 -10.622 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.074 -10.740 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.290 -9.357 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.053 -6.754 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.851 -7.934 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.825 -6.753 -1.322 1.00 0.00 H new ATOM 253 N ASP A 27 8.351 -8.768 -0.968 1.00 0.00 N ATOM 254 CA ASP A 27 9.500 -9.405 -0.344 1.00 0.00 C ATOM 255 C ASP A 27 10.396 -8.350 0.296 1.00 0.00 C ATOM 256 O ASP A 27 11.209 -8.658 1.169 1.00 0.00 O ATOM 257 CB ASP A 27 10.296 -10.220 -1.365 1.00 0.00 C ATOM 258 CG ASP A 27 11.671 -10.602 -0.854 1.00 0.00 C ATOM 259 OD1 ASP A 27 11.781 -10.973 0.334 1.00 0.00 O ATOM 260 OD2 ASP A 27 12.637 -10.533 -1.642 1.00 0.00 O ATOM 0 H ASP A 27 8.069 -7.896 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 27 9.138 -10.085 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.741 -11.124 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.400 -9.644 -2.284 1.00 0.00 H new ATOM 265 N VAL A 28 10.232 -7.104 -0.144 1.00 0.00 N ATOM 266 CA VAL A 28 11.011 -5.991 0.383 1.00 0.00 C ATOM 267 C VAL A 28 10.879 -5.908 1.899 1.00 0.00 C ATOM 268 O VAL A 28 10.624 -6.910 2.565 1.00 0.00 O ATOM 269 CB VAL A 28 10.570 -4.654 -0.248 1.00 0.00 C ATOM 270 CG1 VAL A 28 10.529 -4.770 -1.763 1.00 0.00 C ATOM 271 CG2 VAL A 28 9.216 -4.219 0.297 1.00 0.00 C ATOM 0 H VAL A 28 9.563 -6.842 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 28 12.055 -6.172 0.125 1.00 0.00 H new ATOM 0 HB VAL A 28 11.301 -3.891 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.216 -3.818 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.521 -5.027 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.821 -5.548 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.926 -3.274 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.470 -4.979 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.282 -4.092 1.378 1.00 0.00 H new ATOM 281 N THR A 29 11.057 -4.714 2.441 1.00 0.00 N ATOM 282 CA THR A 29 10.961 -4.522 3.883 1.00 0.00 C ATOM 283 C THR A 29 9.746 -3.686 4.263 1.00 0.00 C ATOM 284 O THR A 29 9.352 -2.771 3.538 1.00 0.00 O ATOM 285 CB THR A 29 12.227 -3.850 4.446 1.00 0.00 C ATOM 286 OG1 THR A 29 12.318 -2.500 3.975 1.00 0.00 O ATOM 287 CG2 THR A 29 13.475 -4.619 4.040 1.00 0.00 C ATOM 0 H THR A 29 11.267 -3.868 1.911 1.00 0.00 H new ATOM 0 HA THR A 29 10.856 -5.516 4.318 1.00 0.00 H new ATOM 0 HB THR A 29 12.157 -3.850 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.125 -2.080 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.356 -4.125 4.449 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.417 -5.637 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.547 -4.647 2.953 1.00 0.00 H new ATOM 295 N GLU A 30 9.160 -4.007 5.412 1.00 0.00 N ATOM 296 CA GLU A 30 7.992 -3.288 5.904 1.00 0.00 C ATOM 297 C GLU A 30 8.351 -1.844 6.229 1.00 0.00 C ATOM 298 O GLU A 30 7.747 -0.910 5.703 1.00 0.00 O ATOM 299 CB GLU A 30 7.427 -3.978 7.147 1.00 0.00 C ATOM 300 CG GLU A 30 5.940 -4.276 7.054 1.00 0.00 C ATOM 301 CD GLU A 30 5.657 -5.718 6.678 1.00 0.00 C ATOM 302 OE1 GLU A 30 6.048 -6.128 5.564 1.00 0.00 O ATOM 303 OE2 GLU A 30 5.047 -6.436 7.497 1.00 0.00 O ATOM 0 H GLU A 30 9.476 -4.762 6.020 1.00 0.00 H new ATOM 0 HA GLU A 30 7.233 -3.292 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.966 -4.911 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.609 -3.347 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.468 -4.055 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.486 -3.616 6.315 1.00 0.00 H new ATOM 310 N GLY A 31 9.344 -1.666 7.095 1.00 0.00 N ATOM 311 CA GLY A 31 9.769 -0.331 7.467 1.00 0.00 C ATOM 312 C GLY A 31 9.779 0.612 6.282 1.00 0.00 C ATOM 313 O GLY A 31 9.506 1.804 6.424 1.00 0.00 O ATOM 0 H GLY A 31 9.861 -2.422 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.103 0.060 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.767 -0.376 7.903 1.00 0.00 H new ATOM 317 N GLU A 32 10.089 0.073 5.108 1.00 0.00 N ATOM 318 CA GLU A 32 10.127 0.869 3.888 1.00 0.00 C ATOM 319 C GLU A 32 8.723 1.314 3.498 1.00 0.00 C ATOM 320 O GLU A 32 8.446 2.508 3.390 1.00 0.00 O ATOM 321 CB GLU A 32 10.758 0.067 2.750 1.00 0.00 C ATOM 322 CG GLU A 32 11.965 0.746 2.126 1.00 0.00 C ATOM 323 CD GLU A 32 13.068 1.015 3.131 1.00 0.00 C ATOM 324 OE1 GLU A 32 12.991 0.475 4.255 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.007 1.766 2.796 1.00 0.00 O ATOM 0 H GLU A 32 10.318 -0.912 4.976 1.00 0.00 H new ATOM 0 HA GLU A 32 10.735 1.754 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.056 -0.911 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.008 -0.104 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.355 0.120 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.654 1.687 1.673 1.00 0.00 H new ATOM 332 N VAL A 33 7.836 0.344 3.294 1.00 0.00 N ATOM 333 CA VAL A 33 6.459 0.638 2.925 1.00 0.00 C ATOM 334 C VAL A 33 5.790 1.500 3.990 1.00 0.00 C ATOM 335 O VAL A 33 5.165 2.516 3.683 1.00 0.00 O ATOM 336 CB VAL A 33 5.639 -0.651 2.732 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.166 -0.324 2.537 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.175 -1.453 1.556 1.00 0.00 C ATOM 0 H VAL A 33 8.048 -0.650 3.378 1.00 0.00 H new ATOM 0 HA VAL A 33 6.488 1.180 1.980 1.00 0.00 H new ATOM 0 HB VAL A 33 5.736 -1.259 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.603 -1.248 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.792 0.205 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.047 0.306 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.583 -2.360 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.111 -0.854 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.215 -1.720 1.742 1.00 0.00 H new ATOM 348 N ILE A 34 5.932 1.088 5.246 1.00 0.00 N ATOM 349 CA ILE A 34 5.358 1.818 6.359 1.00 0.00 C ATOM 350 C ILE A 34 6.011 3.190 6.492 1.00 0.00 C ATOM 351 O ILE A 34 5.344 4.180 6.791 1.00 0.00 O ATOM 352 CB ILE A 34 5.525 1.028 7.673 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.530 -0.133 7.724 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.344 1.938 8.873 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.188 -1.495 7.691 1.00 0.00 C ATOM 0 H ILE A 34 6.443 0.247 5.514 1.00 0.00 H new ATOM 0 HA ILE A 34 4.294 1.951 6.163 1.00 0.00 H new ATOM 0 HB ILE A 34 6.536 0.621 7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.932 -0.049 8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.843 -0.050 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.466 1.360 9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.090 2.732 8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.346 2.376 8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.422 -2.270 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.763 -1.599 6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.853 -1.599 8.548 1.00 0.00 H new ATOM 367 N SER A 35 7.319 3.241 6.255 1.00 0.00 N ATOM 368 CA SER A 35 8.057 4.495 6.338 1.00 0.00 C ATOM 369 C SER A 35 7.316 5.590 5.582 1.00 0.00 C ATOM 370 O SER A 35 7.217 6.726 6.046 1.00 0.00 O ATOM 371 CB SER A 35 9.466 4.324 5.768 1.00 0.00 C ATOM 372 OG SER A 35 9.879 5.486 5.070 1.00 0.00 O ATOM 0 H SER A 35 7.887 2.431 6.005 1.00 0.00 H new ATOM 0 HA SER A 35 8.138 4.782 7.386 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.166 4.114 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.488 3.466 5.097 1.00 0.00 H new ATOM 0 HG SER A 35 10.783 5.351 4.717 1.00 0.00 H new ATOM 378 N LEU A 36 6.785 5.232 4.416 1.00 0.00 N ATOM 379 CA LEU A 36 6.038 6.175 3.596 1.00 0.00 C ATOM 380 C LEU A 36 4.692 6.482 4.241 1.00 0.00 C ATOM 381 O LEU A 36 4.180 7.597 4.139 1.00 0.00 O ATOM 382 CB LEU A 36 5.828 5.607 2.190 1.00 0.00 C ATOM 383 CG LEU A 36 6.942 5.923 1.190 1.00 0.00 C ATOM 384 CD1 LEU A 36 8.296 5.529 1.759 1.00 0.00 C ATOM 385 CD2 LEU A 36 6.689 5.210 -0.131 1.00 0.00 C ATOM 0 H LEU A 36 6.859 4.295 4.020 1.00 0.00 H new ATOM 0 HA LEU A 36 6.612 7.099 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.724 4.525 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.887 5.992 1.796 1.00 0.00 H new ATOM 0 HG LEU A 36 6.946 6.997 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.077 5.761 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.479 6.083 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.304 4.460 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.491 5.446 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.658 4.133 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.737 5.540 -0.546 1.00 0.00 H new ATOM 397 N GLY A 37 4.128 5.482 4.910 1.00 0.00 N ATOM 398 CA GLY A 37 2.849 5.658 5.571 1.00 0.00 C ATOM 399 C GLY A 37 2.945 6.569 6.779 1.00 0.00 C ATOM 400 O GLY A 37 1.960 7.194 7.174 1.00 0.00 O ATOM 0 H GLY A 37 4.535 4.552 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.131 6.072 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.466 4.686 5.882 1.00 0.00 H new ATOM 404 N LEU A 38 4.135 6.646 7.366 1.00 0.00 N ATOM 405 CA LEU A 38 4.357 7.489 8.536 1.00 0.00 C ATOM 406 C LEU A 38 3.655 8.832 8.378 1.00 0.00 C ATOM 407 O LEU A 38 2.789 9.189 9.176 1.00 0.00 O ATOM 408 CB LEU A 38 5.856 7.705 8.758 1.00 0.00 C ATOM 409 CG LEU A 38 6.482 6.830 9.845 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.884 5.432 9.815 1.00 0.00 C ATOM 411 CD2 LEU A 38 7.993 6.771 9.674 1.00 0.00 C ATOM 0 H LEU A 38 4.960 6.135 7.051 1.00 0.00 H new ATOM 0 HA LEU A 38 3.938 6.981 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.377 7.520 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.023 8.751 9.014 1.00 0.00 H new ATOM 0 HG LEU A 38 6.263 7.274 10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.341 4.824 10.595 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.809 5.492 9.985 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.072 4.977 8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.423 6.145 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.233 6.349 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.407 7.777 9.746 1.00 0.00 H new ATOM 423 N PRO A 39 4.016 9.592 7.333 1.00 0.00 N ATOM 424 CA PRO A 39 3.414 10.902 7.061 1.00 0.00 C ATOM 425 C PRO A 39 1.922 10.792 6.769 1.00 0.00 C ATOM 426 O PRO A 39 1.172 11.753 6.937 1.00 0.00 O ATOM 427 CB PRO A 39 4.169 11.399 5.822 1.00 0.00 C ATOM 428 CG PRO A 39 4.741 10.172 5.200 1.00 0.00 C ATOM 429 CD PRO A 39 5.033 9.232 6.334 1.00 0.00 C ATOM 0 HA PRO A 39 3.494 11.575 7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.500 11.915 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.953 12.105 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.038 9.727 4.496 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.648 10.404 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.946 8.190 6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.043 9.367 6.720 1.00 0.00 H new ATOM 437 N PHE A 40 1.501 9.608 6.337 1.00 0.00 N ATOM 438 CA PHE A 40 0.100 9.359 6.024 1.00 0.00 C ATOM 439 C PHE A 40 -0.709 9.179 7.303 1.00 0.00 C ATOM 440 O PHE A 40 -1.845 9.640 7.404 1.00 0.00 O ATOM 441 CB PHE A 40 -0.027 8.116 5.142 1.00 0.00 C ATOM 442 CG PHE A 40 0.748 8.214 3.859 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.221 9.438 3.415 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.006 7.084 3.101 1.00 0.00 C ATOM 445 CE1 PHE A 40 1.937 9.533 2.237 1.00 0.00 C ATOM 446 CE2 PHE A 40 1.723 7.172 1.924 1.00 0.00 C ATOM 447 CZ PHE A 40 2.189 8.399 1.491 1.00 0.00 C ATOM 0 H PHE A 40 2.113 8.804 6.196 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.294 10.220 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.318 7.246 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.079 7.949 4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.028 10.328 3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.642 6.123 3.434 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.299 10.493 1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.919 6.283 1.343 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.749 8.471 0.571 1.00 0.00 H new ATOM 457 N GLY A 41 -0.110 8.505 8.278 1.00 0.00 N ATOM 458 CA GLY A 41 -0.779 8.272 9.542 1.00 0.00 C ATOM 459 C GLY A 41 -0.150 7.136 10.320 1.00 0.00 C ATOM 460 O GLY A 41 0.906 7.302 10.930 1.00 0.00 O ATOM 0 H GLY A 41 0.830 8.115 8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.747 9.182 10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.830 8.047 9.359 1.00 0.00 H new ATOM 464 N LYS A 42 -0.797 5.976 10.298 1.00 0.00 N ATOM 465 CA LYS A 42 -0.289 4.809 11.006 1.00 0.00 C ATOM 466 C LYS A 42 -0.711 3.520 10.308 1.00 0.00 C ATOM 467 O LYS A 42 -1.797 3.441 9.734 1.00 0.00 O ATOM 468 CB LYS A 42 -0.790 4.804 12.451 1.00 0.00 C ATOM 469 CG LYS A 42 0.097 5.586 13.405 1.00 0.00 C ATOM 470 CD LYS A 42 -0.464 5.582 14.818 1.00 0.00 C ATOM 471 CE LYS A 42 -1.831 6.244 14.875 1.00 0.00 C ATOM 472 NZ LYS A 42 -1.828 7.449 15.750 1.00 0.00 N ATOM 0 H LYS A 42 -1.672 5.820 9.798 1.00 0.00 H new ATOM 0 HA LYS A 42 0.800 4.863 11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.796 5.221 12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.863 3.773 12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.098 5.155 13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.194 6.613 13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.540 4.556 15.178 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.222 6.104 15.485 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.140 6.527 13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.566 5.529 15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.778 7.871 15.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.558 7.176 16.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.145 8.143 15.383 1.00 0.00 H new ATOM 486 N VAL A 43 0.151 2.512 10.369 1.00 0.00 N ATOM 487 CA VAL A 43 -0.138 1.224 9.752 1.00 0.00 C ATOM 488 C VAL A 43 -0.919 0.334 10.713 1.00 0.00 C ATOM 489 O VAL A 43 -0.396 -0.089 11.744 1.00 0.00 O ATOM 490 CB VAL A 43 1.153 0.501 9.326 1.00 0.00 C ATOM 491 CG1 VAL A 43 0.855 -0.935 8.923 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.835 1.252 8.193 1.00 0.00 C ATOM 0 H VAL A 43 1.055 2.562 10.839 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.738 1.418 8.863 1.00 0.00 H new ATOM 0 HB VAL A 43 1.833 0.479 10.177 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.780 -1.429 8.625 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.416 -1.466 9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.155 -0.941 8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.746 0.727 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.162 1.309 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.087 2.260 8.524 1.00 0.00 H new ATOM 502 N THR A 44 -2.173 0.061 10.374 1.00 0.00 N ATOM 503 CA THR A 44 -3.025 -0.771 11.217 1.00 0.00 C ATOM 504 C THR A 44 -2.873 -2.247 10.868 1.00 0.00 C ATOM 505 O THR A 44 -3.309 -3.121 11.617 1.00 0.00 O ATOM 506 CB THR A 44 -4.505 -0.370 11.093 1.00 0.00 C ATOM 507 OG1 THR A 44 -5.176 -1.228 10.163 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.624 1.071 10.642 1.00 0.00 C ATOM 0 H THR A 44 -2.622 0.402 9.524 1.00 0.00 H new ATOM 0 HA THR A 44 -2.702 -0.612 12.246 1.00 0.00 H new ATOM 0 HB THR A 44 -4.974 -0.474 12.072 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.142 -1.071 10.211 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.677 1.340 10.559 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.140 1.721 11.370 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.141 1.190 9.672 1.00 0.00 H new ATOM 516 N ASN A 45 -2.252 -2.516 9.725 1.00 0.00 N ATOM 517 CA ASN A 45 -2.039 -3.886 9.271 1.00 0.00 C ATOM 518 C ASN A 45 -1.510 -3.908 7.841 1.00 0.00 C ATOM 519 O ASN A 45 -2.162 -3.417 6.920 1.00 0.00 O ATOM 520 CB ASN A 45 -3.343 -4.682 9.358 1.00 0.00 C ATOM 521 CG ASN A 45 -3.174 -5.984 10.115 1.00 0.00 C ATOM 522 OD1 ASN A 45 -3.406 -7.065 9.573 1.00 0.00 O ATOM 523 ND2 ASN A 45 -2.770 -5.889 11.376 1.00 0.00 N ATOM 0 H ASN A 45 -1.887 -1.802 9.095 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.296 -4.348 9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.104 -4.075 9.849 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.704 -4.894 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.641 -6.732 11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.589 -4.973 11.786 1.00 0.00 H new ATOM 530 N LEU A 46 -0.323 -4.479 7.662 1.00 0.00 N ATOM 531 CA LEU A 46 0.293 -4.564 6.343 1.00 0.00 C ATOM 532 C LEU A 46 0.620 -6.009 5.985 1.00 0.00 C ATOM 533 O LEU A 46 1.425 -6.658 6.654 1.00 0.00 O ATOM 534 CB LEU A 46 1.565 -3.714 6.294 1.00 0.00 C ATOM 535 CG LEU A 46 2.425 -3.909 5.045 1.00 0.00 C ATOM 536 CD1 LEU A 46 3.337 -5.114 5.209 1.00 0.00 C ATOM 537 CD2 LEU A 46 1.546 -4.066 3.813 1.00 0.00 C ATOM 0 H LEU A 46 0.231 -4.889 8.414 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.420 -4.181 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.284 -2.663 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.170 -3.941 7.172 1.00 0.00 H new ATOM 0 HG LEU A 46 3.047 -3.024 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.942 -5.238 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.990 -4.962 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.734 -6.008 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.174 -4.204 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.899 -4.934 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.935 -3.173 3.686 1.00 0.00 H new ATOM 549 N LEU A 47 -0.007 -6.507 4.926 1.00 0.00 N ATOM 550 CA LEU A 47 0.218 -7.876 4.477 1.00 0.00 C ATOM 551 C LEU A 47 0.807 -7.896 3.070 1.00 0.00 C ATOM 552 O LEU A 47 0.276 -7.265 2.155 1.00 0.00 O ATOM 553 CB LEU A 47 -1.091 -8.667 4.506 1.00 0.00 C ATOM 554 CG LEU A 47 -0.986 -10.110 4.009 1.00 0.00 C ATOM 555 CD1 LEU A 47 -2.029 -10.985 4.687 1.00 0.00 C ATOM 556 CD2 LEU A 47 -1.143 -10.165 2.497 1.00 0.00 C ATOM 0 H LEU A 47 -0.676 -5.983 4.362 1.00 0.00 H new ATOM 0 HA LEU A 47 0.931 -8.343 5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.469 -8.677 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.829 -8.142 3.899 1.00 0.00 H new ATOM 0 HG LEU A 47 0.002 -10.492 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.939 -12.008 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.871 -10.970 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.025 -10.605 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.066 -11.199 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.117 -9.764 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.359 -9.571 2.028 1.00 0.00 H new ATOM 568 N MET A 48 1.907 -8.623 2.904 1.00 0.00 N ATOM 569 CA MET A 48 2.567 -8.724 1.608 1.00 0.00 C ATOM 570 C MET A 48 2.321 -10.091 0.977 1.00 0.00 C ATOM 571 O MET A 48 2.354 -11.115 1.659 1.00 0.00 O ATOM 572 CB MET A 48 4.070 -8.484 1.760 1.00 0.00 C ATOM 573 CG MET A 48 4.440 -7.017 1.902 1.00 0.00 C ATOM 574 SD MET A 48 5.924 -6.767 2.895 1.00 0.00 S ATOM 575 CE MET A 48 7.169 -6.643 1.614 1.00 0.00 C ATOM 0 H MET A 48 2.360 -9.151 3.650 1.00 0.00 H new ATOM 0 HA MET A 48 2.147 -7.961 0.953 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.430 -9.027 2.634 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.585 -8.898 0.893 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.594 -6.588 0.912 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.608 -6.479 2.357 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.002 -6.039 1.974 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.527 -7.640 1.357 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.736 -6.174 0.730 1.00 0.00 H new ATOM 585 N LEU A 49 2.076 -10.098 -0.329 1.00 0.00 N ATOM 586 CA LEU A 49 1.825 -11.340 -1.052 1.00 0.00 C ATOM 587 C LEU A 49 2.858 -11.544 -2.156 1.00 0.00 C ATOM 588 O LEU A 49 2.794 -10.905 -3.206 1.00 0.00 O ATOM 589 CB LEU A 49 0.416 -11.331 -1.649 1.00 0.00 C ATOM 590 CG LEU A 49 -0.707 -11.641 -0.660 1.00 0.00 C ATOM 591 CD1 LEU A 49 -2.065 -11.431 -1.310 1.00 0.00 C ATOM 592 CD2 LEU A 49 -0.578 -13.065 -0.138 1.00 0.00 C ATOM 0 H LEU A 49 2.046 -9.259 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 49 1.907 -12.166 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.231 -10.352 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.377 -12.058 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.622 -10.956 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.852 -11.657 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.157 -10.394 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.162 -12.091 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.385 -13.269 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.637 -13.765 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.381 -13.182 0.367 1.00 0.00 H new ATOM 604 N LYS A 50 3.810 -12.438 -1.910 1.00 0.00 N ATOM 605 CA LYS A 50 4.858 -12.726 -2.881 1.00 0.00 C ATOM 606 C LYS A 50 4.263 -13.137 -4.225 1.00 0.00 C ATOM 607 O LYS A 50 4.943 -13.113 -5.250 1.00 0.00 O ATOM 608 CB LYS A 50 5.779 -13.830 -2.357 1.00 0.00 C ATOM 609 CG LYS A 50 6.833 -13.327 -1.384 1.00 0.00 C ATOM 610 CD LYS A 50 6.326 -13.352 0.049 1.00 0.00 C ATOM 611 CE LYS A 50 6.742 -12.102 0.809 1.00 0.00 C ATOM 612 NZ LYS A 50 7.645 -12.421 1.949 1.00 0.00 N ATOM 0 H LYS A 50 3.877 -12.976 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 50 5.440 -11.816 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.176 -14.593 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.274 -14.311 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.728 -13.944 -1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.121 -12.310 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.239 -13.435 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.714 -14.234 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.245 -11.414 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.854 -11.591 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.906 -11.543 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.157 -13.057 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.504 -12.886 1.592 1.00 0.00 H new ATOM 626 N GLY A 51 2.988 -13.513 -4.213 1.00 0.00 N ATOM 627 CA GLY A 51 2.323 -13.921 -5.437 1.00 0.00 C ATOM 628 C GLY A 51 1.789 -12.742 -6.226 1.00 0.00 C ATOM 629 O GLY A 51 0.910 -12.019 -5.755 1.00 0.00 O ATOM 0 H GLY A 51 2.404 -13.542 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.022 -14.483 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.501 -14.594 -5.193 1.00 0.00 H new ATOM 633 N LYS A 52 2.319 -12.547 -7.429 1.00 0.00 N ATOM 634 CA LYS A 52 1.890 -11.446 -8.285 1.00 0.00 C ATOM 635 C LYS A 52 2.601 -10.149 -7.908 1.00 0.00 C ATOM 636 O LYS A 52 2.490 -9.144 -8.608 1.00 0.00 O ATOM 637 CB LYS A 52 0.375 -11.258 -8.188 1.00 0.00 C ATOM 638 CG LYS A 52 -0.319 -11.197 -9.538 1.00 0.00 C ATOM 639 CD LYS A 52 -0.722 -12.580 -10.021 1.00 0.00 C ATOM 640 CE LYS A 52 -1.534 -13.321 -8.971 1.00 0.00 C ATOM 641 NZ LYS A 52 -2.331 -14.429 -9.566 1.00 0.00 N ATOM 0 H LYS A 52 3.046 -13.137 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 52 2.154 -11.696 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.048 -12.079 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.166 -10.339 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.203 -10.564 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.345 -10.735 -10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.305 -12.491 -10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.171 -13.156 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.864 -13.723 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.203 -12.622 -8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.870 -14.909 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.988 -14.043 -10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.692 -15.110 -10.023 1.00 0.00 H new ATOM 655 N ASN A 53 3.331 -10.179 -6.797 1.00 0.00 N ATOM 656 CA ASN A 53 4.060 -9.006 -6.329 1.00 0.00 C ATOM 657 C ASN A 53 3.107 -7.857 -6.026 1.00 0.00 C ATOM 658 O ASN A 53 2.978 -6.919 -6.812 1.00 0.00 O ATOM 659 CB ASN A 53 5.090 -8.566 -7.371 1.00 0.00 C ATOM 660 CG ASN A 53 6.198 -9.586 -7.553 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.563 -9.926 -8.678 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.739 -10.078 -6.444 1.00 0.00 N ATOM 0 H ASN A 53 3.433 -11.003 -6.204 1.00 0.00 H new ATOM 0 HA ASN A 53 4.578 -9.278 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.590 -8.402 -8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.523 -7.612 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.489 -10.767 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.405 -9.767 -5.532 1.00 0.00 H new ATOM 669 N GLN A 54 2.439 -7.938 -4.880 1.00 0.00 N ATOM 670 CA GLN A 54 1.496 -6.905 -4.473 1.00 0.00 C ATOM 671 C GLN A 54 1.337 -6.878 -2.957 1.00 0.00 C ATOM 672 O GLN A 54 1.119 -7.912 -2.327 1.00 0.00 O ATOM 673 CB GLN A 54 0.136 -7.140 -5.133 1.00 0.00 C ATOM 674 CG GLN A 54 0.227 -7.476 -6.613 1.00 0.00 C ATOM 675 CD GLN A 54 -1.124 -7.801 -7.220 1.00 0.00 C ATOM 676 OE1 GLN A 54 -2.021 -8.295 -6.537 1.00 0.00 O ATOM 677 NE2 GLN A 54 -1.275 -7.524 -8.509 1.00 0.00 N ATOM 0 H GLN A 54 2.534 -8.708 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 54 1.890 -5.942 -4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.374 -7.952 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.478 -6.248 -5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.668 -6.634 -7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.896 -8.326 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.504 -7.115 -9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.162 -7.720 -8.972 1.00 0.00 H new ATOM 686 N ALA A 55 1.444 -5.686 -2.378 1.00 0.00 N ATOM 687 CA ALA A 55 1.306 -5.524 -0.936 1.00 0.00 C ATOM 688 C ALA A 55 0.009 -4.801 -0.595 1.00 0.00 C ATOM 689 O ALA A 55 -0.603 -4.168 -1.456 1.00 0.00 O ATOM 690 CB ALA A 55 2.499 -4.770 -0.370 1.00 0.00 C ATOM 0 H ALA A 55 1.626 -4.820 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 55 1.274 -6.515 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.380 -4.657 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.413 -5.326 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.560 -3.785 -0.833 1.00 0.00 H new ATOM 696 N PHE A 56 -0.411 -4.904 0.660 1.00 0.00 N ATOM 697 CA PHE A 56 -1.643 -4.263 1.102 1.00 0.00 C ATOM 698 C PHE A 56 -1.525 -3.763 2.538 1.00 0.00 C ATOM 699 O PHE A 56 -1.372 -4.553 3.470 1.00 0.00 O ATOM 700 CB PHE A 56 -2.813 -5.242 0.989 1.00 0.00 C ATOM 701 CG PHE A 56 -2.724 -6.158 -0.200 1.00 0.00 C ATOM 702 CD1 PHE A 56 -1.663 -7.042 -0.337 1.00 0.00 C ATOM 703 CD2 PHE A 56 -3.703 -6.135 -1.180 1.00 0.00 C ATOM 704 CE1 PHE A 56 -1.582 -7.884 -1.429 1.00 0.00 C ATOM 705 CE2 PHE A 56 -3.626 -6.976 -2.275 1.00 0.00 C ATOM 706 CZ PHE A 56 -2.565 -7.851 -2.399 1.00 0.00 C ATOM 0 H PHE A 56 0.081 -5.423 1.387 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.823 -3.403 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.860 -5.844 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.743 -4.677 0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.892 -7.072 0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.535 -5.453 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.751 -8.567 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.395 -6.948 -3.033 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.504 -8.509 -3.253 1.00 0.00 H new ATOM 716 N ILE A 57 -1.610 -2.447 2.712 1.00 0.00 N ATOM 717 CA ILE A 57 -1.524 -1.846 4.037 1.00 0.00 C ATOM 718 C ILE A 57 -2.872 -1.280 4.463 1.00 0.00 C ATOM 719 O ILE A 57 -3.708 -0.942 3.624 1.00 0.00 O ATOM 720 CB ILE A 57 -0.463 -0.725 4.094 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.999 0.567 3.472 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.809 -1.167 3.390 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.127 1.774 3.745 1.00 0.00 C ATOM 0 H ILE A 57 -1.738 -1.778 1.952 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.226 -2.639 4.723 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.232 -0.526 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.091 0.431 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.001 0.758 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.548 -0.367 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.205 -2.057 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.588 -1.394 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.566 2.654 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.055 1.935 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.869 1.603 3.336 1.00 0.00 H new ATOM 735 N GLU A 58 -3.079 -1.180 5.771 1.00 0.00 N ATOM 736 CA GLU A 58 -4.329 -0.653 6.304 1.00 0.00 C ATOM 737 C GLU A 58 -4.073 0.557 7.194 1.00 0.00 C ATOM 738 O GLU A 58 -3.386 0.459 8.210 1.00 0.00 O ATOM 739 CB GLU A 58 -5.069 -1.736 7.091 1.00 0.00 C ATOM 740 CG GLU A 58 -6.371 -2.177 6.441 1.00 0.00 C ATOM 741 CD GLU A 58 -7.592 -1.716 7.211 1.00 0.00 C ATOM 742 OE1 GLU A 58 -7.677 -2.009 8.423 1.00 0.00 O ATOM 743 OE2 GLU A 58 -8.464 -1.059 6.604 1.00 0.00 O ATOM 0 H GLU A 58 -2.399 -1.456 6.480 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.949 -0.338 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.417 -2.602 7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.281 -1.365 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.417 -1.784 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.384 -3.264 6.363 1.00 0.00 H new ATOM 750 N MET A 59 -4.633 1.698 6.806 1.00 0.00 N ATOM 751 CA MET A 59 -4.470 2.929 7.568 1.00 0.00 C ATOM 752 C MET A 59 -5.587 3.079 8.595 1.00 0.00 C ATOM 753 O MET A 59 -6.737 2.727 8.330 1.00 0.00 O ATOM 754 CB MET A 59 -4.458 4.135 6.626 1.00 0.00 C ATOM 755 CG MET A 59 -3.605 3.929 5.385 1.00 0.00 C ATOM 756 SD MET A 59 -2.066 3.060 5.738 1.00 0.00 S ATOM 757 CE MET A 59 -1.142 4.340 6.583 1.00 0.00 C ATOM 0 H MET A 59 -5.205 1.795 5.967 1.00 0.00 H new ATOM 0 HA MET A 59 -3.518 2.882 8.097 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.481 4.357 6.321 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.091 5.006 7.169 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.175 3.365 4.646 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.377 4.898 4.940 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.150 3.966 6.835 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.048 5.210 5.933 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.665 4.624 7.496 1.00 0.00 H new ATOM 767 N ASN A 60 -5.246 3.601 9.770 1.00 0.00 N ATOM 768 CA ASN A 60 -6.232 3.789 10.830 1.00 0.00 C ATOM 769 C ASN A 60 -7.170 4.946 10.502 1.00 0.00 C ATOM 770 O ASN A 60 -8.293 5.005 11.001 1.00 0.00 O ATOM 771 CB ASN A 60 -5.550 4.045 12.177 1.00 0.00 C ATOM 772 CG ASN A 60 -4.295 3.222 12.373 1.00 0.00 C ATOM 773 OD1 ASN A 60 -4.319 2.180 13.028 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.187 3.683 11.807 1.00 0.00 N ATOM 0 H ASN A 60 -4.301 3.900 10.011 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.815 2.871 10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.299 5.103 12.255 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.252 3.823 12.981 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.312 3.169 11.907 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.211 4.551 11.272 1.00 0.00 H new ATOM 781 N THR A 61 -6.704 5.866 9.662 1.00 0.00 N ATOM 782 CA THR A 61 -7.506 7.019 9.276 1.00 0.00 C ATOM 783 C THR A 61 -7.524 7.197 7.762 1.00 0.00 C ATOM 784 O THR A 61 -6.494 7.065 7.099 1.00 0.00 O ATOM 785 CB THR A 61 -6.981 8.313 9.925 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.786 9.428 9.521 1.00 0.00 O ATOM 787 CG2 THR A 61 -5.531 8.562 9.540 1.00 0.00 C ATOM 0 H THR A 61 -5.777 5.834 9.237 1.00 0.00 H new ATOM 0 HA THR A 61 -8.519 6.828 9.629 1.00 0.00 H new ATOM 0 HB THR A 61 -7.039 8.198 11.007 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.446 10.246 9.940 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.182 9.481 10.010 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.917 7.727 9.876 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.453 8.656 8.457 1.00 0.00 H new ATOM 795 N GLU A 62 -8.699 7.500 7.221 1.00 0.00 N ATOM 796 CA GLU A 62 -8.850 7.699 5.785 1.00 0.00 C ATOM 797 C GLU A 62 -7.770 8.635 5.251 1.00 0.00 C ATOM 798 O GLU A 62 -7.189 8.389 4.194 1.00 0.00 O ATOM 799 CB GLU A 62 -10.235 8.266 5.469 1.00 0.00 C ATOM 800 CG GLU A 62 -11.348 7.234 5.548 1.00 0.00 C ATOM 801 CD GLU A 62 -12.662 7.828 6.014 1.00 0.00 C ATOM 802 OE1 GLU A 62 -13.409 8.358 5.164 1.00 0.00 O ATOM 803 OE2 GLU A 62 -12.946 7.763 7.229 1.00 0.00 O ATOM 0 H GLU A 62 -9.560 7.613 7.755 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.743 6.731 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.453 9.077 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.222 8.698 4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.487 6.779 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.052 6.437 6.230 1.00 0.00 H new ATOM 810 N GLU A 63 -7.507 9.707 5.991 1.00 0.00 N ATOM 811 CA GLU A 63 -6.495 10.679 5.595 1.00 0.00 C ATOM 812 C GLU A 63 -5.164 9.990 5.317 1.00 0.00 C ATOM 813 O GLU A 63 -4.376 10.448 4.490 1.00 0.00 O ATOM 814 CB GLU A 63 -6.318 11.736 6.685 1.00 0.00 C ATOM 815 CG GLU A 63 -7.180 12.971 6.482 1.00 0.00 C ATOM 816 CD GLU A 63 -8.637 12.728 6.822 1.00 0.00 C ATOM 817 OE1 GLU A 63 -8.941 11.669 7.411 1.00 0.00 O ATOM 818 OE2 GLU A 63 -9.474 13.596 6.499 1.00 0.00 O ATOM 0 H GLU A 63 -7.981 9.924 6.868 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.831 11.166 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.556 11.292 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.271 12.036 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.797 13.782 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.102 13.297 5.445 1.00 0.00 H new ATOM 825 N ALA A 64 -4.922 8.883 6.012 1.00 0.00 N ATOM 826 CA ALA A 64 -3.688 8.126 5.840 1.00 0.00 C ATOM 827 C ALA A 64 -3.732 7.293 4.565 1.00 0.00 C ATOM 828 O ALA A 64 -2.785 7.295 3.778 1.00 0.00 O ATOM 829 CB ALA A 64 -3.445 7.236 7.051 1.00 0.00 C ATOM 0 H ALA A 64 -5.565 8.490 6.700 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.862 8.832 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.521 6.676 6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.363 7.853 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.277 6.541 7.165 1.00 0.00 H new ATOM 835 N ALA A 65 -4.838 6.585 4.365 1.00 0.00 N ATOM 836 CA ALA A 65 -5.007 5.750 3.183 1.00 0.00 C ATOM 837 C ALA A 65 -5.068 6.598 1.918 1.00 0.00 C ATOM 838 O ALA A 65 -4.251 6.438 1.010 1.00 0.00 O ATOM 839 CB ALA A 65 -6.262 4.901 3.313 1.00 0.00 C ATOM 0 H ALA A 65 -5.631 6.573 5.007 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.142 5.091 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.376 4.282 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.179 4.261 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.131 5.550 3.417 1.00 0.00 H new ATOM 845 N ASN A 66 -6.039 7.503 1.866 1.00 0.00 N ATOM 846 CA ASN A 66 -6.208 8.380 0.713 1.00 0.00 C ATOM 847 C ASN A 66 -4.917 9.136 0.413 1.00 0.00 C ATOM 848 O ASN A 66 -4.355 9.018 -0.675 1.00 0.00 O ATOM 849 CB ASN A 66 -7.347 9.370 0.960 1.00 0.00 C ATOM 850 CG ASN A 66 -8.647 8.927 0.320 1.00 0.00 C ATOM 851 OD1 ASN A 66 -8.717 8.721 -0.892 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.686 8.777 1.133 1.00 0.00 N ATOM 0 H ASN A 66 -6.722 7.649 2.610 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.456 7.762 -0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.496 9.488 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.067 10.347 0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.587 8.480 0.759 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.583 8.959 2.131 1.00 0.00 H new ATOM 859 N THR A 67 -4.452 9.912 1.388 1.00 0.00 N ATOM 860 CA THR A 67 -3.227 10.686 1.228 1.00 0.00 C ATOM 861 C THR A 67 -2.159 9.874 0.504 1.00 0.00 C ATOM 862 O THR A 67 -1.546 10.349 -0.452 1.00 0.00 O ATOM 863 CB THR A 67 -2.673 11.147 2.589 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.520 12.158 3.146 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.258 11.689 2.444 1.00 0.00 C ATOM 0 H THR A 67 -4.905 10.021 2.295 1.00 0.00 H new ATOM 0 HA THR A 67 -3.480 11.563 0.633 1.00 0.00 H new ATOM 0 HB THR A 67 -2.648 10.285 3.256 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.096 11.761 3.832 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.889 12.008 3.419 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.608 10.909 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.262 12.539 1.762 1.00 0.00 H new ATOM 873 N MET A 68 -1.943 8.647 0.965 1.00 0.00 N ATOM 874 CA MET A 68 -0.950 7.769 0.360 1.00 0.00 C ATOM 875 C MET A 68 -1.071 7.780 -1.159 1.00 0.00 C ATOM 876 O MET A 68 -0.149 8.191 -1.863 1.00 0.00 O ATOM 877 CB MET A 68 -1.112 6.341 0.888 1.00 0.00 C ATOM 878 CG MET A 68 -0.210 5.332 0.198 1.00 0.00 C ATOM 879 SD MET A 68 0.101 3.873 1.214 1.00 0.00 S ATOM 880 CE MET A 68 1.883 3.944 1.376 1.00 0.00 C ATOM 0 H MET A 68 -2.442 8.239 1.755 1.00 0.00 H new ATOM 0 HA MET A 68 0.040 8.138 0.630 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.902 6.332 1.958 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.150 6.032 0.764 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.667 5.025 -0.743 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.739 5.808 -0.049 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.294 2.936 1.318 1.00 0.00 H new ATOM 0 HE2 MET A 68 2.298 4.552 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.144 4.388 2.337 1.00 0.00 H new ATOM 890 N VAL A 69 -2.215 7.325 -1.659 1.00 0.00 N ATOM 891 CA VAL A 69 -2.457 7.285 -3.095 1.00 0.00 C ATOM 892 C VAL A 69 -2.593 8.691 -3.669 1.00 0.00 C ATOM 893 O VAL A 69 -2.509 8.889 -4.881 1.00 0.00 O ATOM 894 CB VAL A 69 -3.730 6.486 -3.427 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.897 6.346 -4.931 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.695 5.121 -2.756 1.00 0.00 C ATOM 0 H VAL A 69 -2.988 6.979 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.597 6.791 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.590 7.032 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.802 5.778 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.974 7.335 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.035 5.824 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.603 4.571 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.827 4.564 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.630 5.248 -1.675 1.00 0.00 H new ATOM 906 N ASN A 70 -2.804 9.665 -2.789 1.00 0.00 N ATOM 907 CA ASN A 70 -2.953 11.054 -3.207 1.00 0.00 C ATOM 908 C ASN A 70 -1.614 11.640 -3.643 1.00 0.00 C ATOM 909 O ASN A 70 -1.432 12.000 -4.806 1.00 0.00 O ATOM 910 CB ASN A 70 -3.543 11.889 -2.068 1.00 0.00 C ATOM 911 CG ASN A 70 -4.578 12.883 -2.556 1.00 0.00 C ATOM 912 OD1 ASN A 70 -4.241 13.907 -3.149 1.00 0.00 O ATOM 913 ND2 ASN A 70 -5.848 12.584 -2.306 1.00 0.00 N ATOM 0 H ASN A 70 -2.876 9.518 -1.782 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.633 11.080 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.999 11.225 -1.333 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.741 12.424 -1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.590 13.215 -2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.081 11.723 -1.811 1.00 0.00 H new ATOM 920 N TYR A 71 -0.680 11.734 -2.702 1.00 0.00 N ATOM 921 CA TYR A 71 0.642 12.277 -2.988 1.00 0.00 C ATOM 922 C TYR A 71 1.357 11.441 -4.045 1.00 0.00 C ATOM 923 O TYR A 71 2.246 11.930 -4.741 1.00 0.00 O ATOM 924 CB TYR A 71 1.482 12.332 -1.711 1.00 0.00 C ATOM 925 CG TYR A 71 2.950 12.597 -1.959 1.00 0.00 C ATOM 926 CD1 TYR A 71 3.358 13.503 -2.930 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.929 11.941 -1.222 1.00 0.00 C ATOM 928 CE1 TYR A 71 4.698 13.748 -3.160 1.00 0.00 C ATOM 929 CE2 TYR A 71 5.271 12.181 -1.446 1.00 0.00 C ATOM 930 CZ TYR A 71 5.650 13.085 -2.416 1.00 0.00 C ATOM 931 OH TYR A 71 6.986 13.327 -2.641 1.00 0.00 O ATOM 0 H TYR A 71 -0.815 11.441 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 71 0.515 13.288 -3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.086 13.111 -1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.378 11.387 -1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.615 14.025 -3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.636 11.232 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.998 14.455 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.019 11.663 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 71 7.525 12.780 -2.032 1.00 0.00 H new ATOM 941 N TYR A 72 0.964 10.176 -4.156 1.00 0.00 N ATOM 942 CA TYR A 72 1.568 9.271 -5.127 1.00 0.00 C ATOM 943 C TYR A 72 0.779 9.261 -6.431 1.00 0.00 C ATOM 944 O TYR A 72 0.887 8.329 -7.227 1.00 0.00 O ATOM 945 CB TYR A 72 1.651 7.856 -4.552 1.00 0.00 C ATOM 946 CG TYR A 72 2.626 7.727 -3.404 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.908 8.254 -3.497 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.265 7.082 -2.228 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.804 8.140 -2.449 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.154 6.965 -1.177 1.00 0.00 C ATOM 951 CZ TYR A 72 4.421 7.496 -1.292 1.00 0.00 C ATOM 952 OH TYR A 72 5.310 7.381 -0.248 1.00 0.00 O ATOM 0 H TYR A 72 0.230 9.755 -3.586 1.00 0.00 H new ATOM 0 HA TYR A 72 2.575 9.628 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.661 7.552 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.942 7.167 -5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.210 8.761 -4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.273 6.665 -2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.798 8.553 -2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.858 6.460 -0.270 1.00 0.00 H new ATOM 0 HH TYR A 72 5.700 8.259 -0.052 1.00 0.00 H new ATOM 962 N THR A 73 -0.016 10.306 -6.644 1.00 0.00 N ATOM 963 CA THR A 73 -0.820 10.418 -7.854 1.00 0.00 C ATOM 964 C THR A 73 0.053 10.724 -9.065 1.00 0.00 C ATOM 965 O THR A 73 -0.255 10.321 -10.186 1.00 0.00 O ATOM 966 CB THR A 73 -1.893 11.514 -7.718 1.00 0.00 C ATOM 967 OG1 THR A 73 -2.734 11.241 -6.592 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.739 11.603 -8.979 1.00 0.00 C ATOM 0 H THR A 73 -0.120 11.086 -5.994 1.00 0.00 H new ATOM 0 HA THR A 73 -1.312 9.456 -7.997 1.00 0.00 H new ATOM 0 HB THR A 73 -1.388 12.468 -7.570 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.523 11.866 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.490 12.384 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.100 11.841 -9.830 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.234 10.648 -9.153 1.00 0.00 H new ATOM 976 N SER A 74 1.149 11.441 -8.830 1.00 0.00 N ATOM 977 CA SER A 74 2.072 11.803 -9.898 1.00 0.00 C ATOM 978 C SER A 74 3.455 11.216 -9.640 1.00 0.00 C ATOM 979 O SER A 74 4.043 10.573 -10.510 1.00 0.00 O ATOM 980 CB SER A 74 2.166 13.325 -10.026 1.00 0.00 C ATOM 981 OG SER A 74 0.891 13.896 -10.261 1.00 0.00 O ATOM 0 H SER A 74 1.418 11.782 -7.907 1.00 0.00 H new ATOM 0 HA SER A 74 1.689 11.391 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.593 13.744 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.840 13.584 -10.843 1.00 0.00 H new ATOM 0 HG SER A 74 0.977 14.869 -10.337 1.00 0.00 H new ATOM 987 N VAL A 75 3.971 11.439 -8.435 1.00 0.00 N ATOM 988 CA VAL A 75 5.283 10.932 -8.058 1.00 0.00 C ATOM 989 C VAL A 75 5.198 9.476 -7.610 1.00 0.00 C ATOM 990 O VAL A 75 4.499 9.152 -6.649 1.00 0.00 O ATOM 991 CB VAL A 75 5.907 11.769 -6.925 1.00 0.00 C ATOM 992 CG1 VAL A 75 7.141 11.079 -6.364 1.00 0.00 C ATOM 993 CG2 VAL A 75 6.247 13.167 -7.419 1.00 0.00 C ATOM 0 H VAL A 75 3.498 11.969 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 75 5.916 11.004 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 75 5.175 11.859 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.566 11.687 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.863 10.102 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.879 10.953 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.687 13.744 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.959 13.099 -8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.339 13.661 -7.765 1.00 0.00 H new ATOM 1003 N THR A 76 5.911 8.601 -8.311 1.00 0.00 N ATOM 1004 CA THR A 76 5.915 7.184 -7.987 1.00 0.00 C ATOM 1005 C THR A 76 6.985 6.866 -6.948 1.00 0.00 C ATOM 1006 O THR A 76 8.082 7.423 -6.984 1.00 0.00 O ATOM 1007 CB THR A 76 6.150 6.330 -9.251 1.00 0.00 C ATOM 1008 OG1 THR A 76 4.916 6.146 -9.955 1.00 0.00 O ATOM 1009 CG2 THR A 76 6.741 4.974 -8.895 1.00 0.00 C ATOM 0 H THR A 76 6.494 8.852 -9.109 1.00 0.00 H new ATOM 0 HA THR A 76 4.937 6.939 -7.573 1.00 0.00 H new ATOM 0 HB THR A 76 6.859 6.859 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.647 5.205 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.896 4.394 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.695 5.115 -8.388 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.056 4.440 -8.237 1.00 0.00 H new ATOM 1017 N PRO A 77 6.684 5.953 -6.008 1.00 0.00 N ATOM 1018 CA PRO A 77 7.610 5.553 -4.970 1.00 0.00 C ATOM 1019 C PRO A 77 8.374 4.285 -5.335 1.00 0.00 C ATOM 1020 O PRO A 77 7.823 3.373 -5.950 1.00 0.00 O ATOM 1021 CB PRO A 77 6.679 5.298 -3.782 1.00 0.00 C ATOM 1022 CG PRO A 77 5.319 5.033 -4.372 1.00 0.00 C ATOM 1023 CD PRO A 77 5.421 5.228 -5.864 1.00 0.00 C ATOM 0 HA PRO A 77 8.382 6.299 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.022 4.447 -3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.654 6.159 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.992 4.019 -4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.579 5.711 -3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.437 4.277 -6.396 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.579 5.799 -6.256 1.00 0.00 H new ATOM 1031 N VAL A 78 9.646 4.234 -4.952 1.00 0.00 N ATOM 1032 CA VAL A 78 10.479 3.073 -5.240 1.00 0.00 C ATOM 1033 C VAL A 78 11.182 2.574 -3.982 1.00 0.00 C ATOM 1034 O VAL A 78 11.012 3.132 -2.898 1.00 0.00 O ATOM 1035 CB VAL A 78 11.531 3.384 -6.327 1.00 0.00 C ATOM 1036 CG1 VAL A 78 10.926 4.249 -7.421 1.00 0.00 C ATOM 1037 CG2 VAL A 78 12.759 4.053 -5.726 1.00 0.00 C ATOM 0 H VAL A 78 10.120 4.980 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 78 9.815 2.292 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 78 11.849 2.440 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.681 4.458 -8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.088 3.723 -7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.574 5.187 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.483 4.260 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.466 4.987 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.208 3.391 -4.986 1.00 0.00 H new ATOM 1047 N LEU A 79 11.974 1.519 -4.137 1.00 0.00 N ATOM 1048 CA LEU A 79 12.707 0.941 -3.018 1.00 0.00 C ATOM 1049 C LEU A 79 14.095 0.493 -3.460 1.00 0.00 C ATOM 1050 O LEU A 79 14.238 -0.490 -4.188 1.00 0.00 O ATOM 1051 CB LEU A 79 11.934 -0.243 -2.440 1.00 0.00 C ATOM 1052 CG LEU A 79 11.966 -0.355 -0.914 1.00 0.00 C ATOM 1053 CD1 LEU A 79 10.682 -0.985 -0.397 1.00 0.00 C ATOM 1054 CD2 LEU A 79 13.177 -1.159 -0.463 1.00 0.00 C ATOM 0 H LEU A 79 12.125 1.046 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 79 12.818 1.704 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.895 -0.171 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.337 -1.162 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 79 12.046 0.649 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.724 -1.056 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.831 -0.369 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.569 -1.982 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.183 -1.228 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.128 -2.161 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.088 -0.665 -0.800 1.00 0.00 H new ATOM 1066 N ARG A 80 15.116 1.223 -3.021 1.00 0.00 N ATOM 1067 CA ARG A 80 16.491 0.901 -3.381 1.00 0.00 C ATOM 1068 C ARG A 80 16.681 0.984 -4.892 1.00 0.00 C ATOM 1069 O ARG A 80 17.681 0.507 -5.431 1.00 0.00 O ATOM 1070 CB ARG A 80 16.858 -0.500 -2.884 1.00 0.00 C ATOM 1071 CG ARG A 80 16.447 -0.762 -1.445 1.00 0.00 C ATOM 1072 CD ARG A 80 17.517 -1.538 -0.694 1.00 0.00 C ATOM 1073 NE ARG A 80 17.635 -2.912 -1.171 1.00 0.00 N ATOM 1074 CZ ARG A 80 16.893 -3.916 -0.716 1.00 0.00 C ATOM 1075 NH1 ARG A 80 15.983 -3.698 0.223 1.00 0.00 N ATOM 1076 NH2 ARG A 80 17.060 -5.139 -1.200 1.00 0.00 N ATOM 0 H ARG A 80 15.017 2.039 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 80 17.149 1.628 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.385 -1.241 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 80 17.935 -0.639 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 80 16.261 0.186 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.511 -1.321 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.476 -1.032 -0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.281 -1.543 0.370 1.00 0.00 H new ATOM 0 HE ARG A 80 18.326 -3.113 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 80 15.851 -2.758 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 80 15.414 -4.470 0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 80 17.759 -5.310 -1.923 1.00 0.00 H new ATOM 0 HH22 ARG A 80 16.490 -5.908 -0.850 1.00 0.00 H new ATOM 1090 N GLY A 81 15.712 1.592 -5.569 1.00 0.00 N ATOM 1091 CA GLY A 81 15.784 1.729 -7.012 1.00 0.00 C ATOM 1092 C GLY A 81 14.715 0.922 -7.722 1.00 0.00 C ATOM 1093 O GLY A 81 14.722 0.815 -8.949 1.00 0.00 O ATOM 0 H GLY A 81 14.877 1.993 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.680 2.780 -7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.767 1.408 -7.356 1.00 0.00 H new ATOM 1097 N GLN A 82 13.793 0.355 -6.951 1.00 0.00 N ATOM 1098 CA GLN A 82 12.711 -0.444 -7.515 1.00 0.00 C ATOM 1099 C GLN A 82 11.364 0.236 -7.300 1.00 0.00 C ATOM 1100 O GLN A 82 10.817 0.224 -6.197 1.00 0.00 O ATOM 1101 CB GLN A 82 12.699 -1.840 -6.890 1.00 0.00 C ATOM 1102 CG GLN A 82 12.418 -2.951 -7.889 1.00 0.00 C ATOM 1103 CD GLN A 82 13.513 -3.091 -8.928 1.00 0.00 C ATOM 1104 OE1 GLN A 82 14.669 -2.749 -8.678 1.00 0.00 O ATOM 1105 NE2 GLN A 82 13.154 -3.597 -10.102 1.00 0.00 N ATOM 0 H GLN A 82 13.773 0.434 -5.934 1.00 0.00 H new ATOM 0 HA GLN A 82 12.883 -0.537 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.663 -2.025 -6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.945 -1.871 -6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.306 -3.895 -7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.470 -2.753 -8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.184 -3.867 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.848 -3.716 -10.840 1.00 0.00 H new ATOM 1114 N PRO A 83 10.817 0.846 -8.360 1.00 0.00 N ATOM 1115 CA PRO A 83 9.531 1.549 -8.300 1.00 0.00 C ATOM 1116 C PRO A 83 8.370 0.620 -7.961 1.00 0.00 C ATOM 1117 O PRO A 83 8.097 -0.339 -8.682 1.00 0.00 O ATOM 1118 CB PRO A 83 9.357 2.120 -9.714 1.00 0.00 C ATOM 1119 CG PRO A 83 10.716 2.077 -10.328 1.00 0.00 C ATOM 1120 CD PRO A 83 11.416 0.908 -9.701 1.00 0.00 C ATOM 0 HA PRO A 83 9.529 2.307 -7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.646 1.529 -10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.972 3.139 -9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.652 1.959 -11.410 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.259 3.003 -10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.248 -0.012 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.494 1.060 -9.655 1.00 0.00 H new ATOM 1128 N ILE A 84 7.682 0.922 -6.864 1.00 0.00 N ATOM 1129 CA ILE A 84 6.540 0.125 -6.434 1.00 0.00 C ATOM 1130 C ILE A 84 5.290 0.995 -6.328 1.00 0.00 C ATOM 1131 O ILE A 84 5.171 1.826 -5.427 1.00 0.00 O ATOM 1132 CB ILE A 84 6.812 -0.571 -5.083 1.00 0.00 C ATOM 1133 CG1 ILE A 84 6.939 0.457 -3.956 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.074 -1.416 -5.173 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.677 -0.068 -2.739 1.00 0.00 C ATOM 0 H ILE A 84 7.896 1.713 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 84 6.377 -0.647 -7.186 1.00 0.00 H new ATOM 0 HB ILE A 84 5.967 -1.221 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.459 1.337 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.942 0.780 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.256 -1.902 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.950 -2.174 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.922 -0.778 -5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.730 0.713 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.146 -0.930 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.686 -0.364 -3.025 1.00 0.00 H new ATOM 1147 N TYR A 85 4.372 0.810 -7.273 1.00 0.00 N ATOM 1148 CA TYR A 85 3.135 1.586 -7.316 1.00 0.00 C ATOM 1149 C TYR A 85 2.275 1.362 -6.075 1.00 0.00 C ATOM 1150 O TYR A 85 2.173 0.246 -5.566 1.00 0.00 O ATOM 1151 CB TYR A 85 2.336 1.229 -8.570 1.00 0.00 C ATOM 1152 CG TYR A 85 3.014 1.637 -9.858 1.00 0.00 C ATOM 1153 CD1 TYR A 85 3.828 2.762 -9.908 1.00 0.00 C ATOM 1154 CD2 TYR A 85 2.842 0.899 -11.021 1.00 0.00 C ATOM 1155 CE1 TYR A 85 4.450 3.139 -11.083 1.00 0.00 C ATOM 1156 CE2 TYR A 85 3.460 1.269 -12.200 1.00 0.00 C ATOM 1157 CZ TYR A 85 4.264 2.390 -12.226 1.00 0.00 C ATOM 1158 OH TYR A 85 4.882 2.763 -13.397 1.00 0.00 O ATOM 0 H TYR A 85 4.462 0.125 -8.024 1.00 0.00 H new ATOM 0 HA TYR A 85 3.412 2.640 -7.342 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.163 0.153 -8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.359 1.709 -8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.977 3.351 -9.015 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.214 0.020 -11.004 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.079 4.017 -11.106 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.315 0.684 -13.096 1.00 0.00 H new ATOM 0 HH TYR A 85 4.648 2.129 -14.107 1.00 0.00 H new ATOM 1168 N ILE A 86 1.651 2.439 -5.605 1.00 0.00 N ATOM 1169 CA ILE A 86 0.788 2.387 -4.436 1.00 0.00 C ATOM 1170 C ILE A 86 -0.586 2.976 -4.759 1.00 0.00 C ATOM 1171 O ILE A 86 -0.726 4.189 -4.918 1.00 0.00 O ATOM 1172 CB ILE A 86 1.420 3.156 -3.254 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.499 2.305 -2.583 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.363 3.569 -2.242 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.658 3.115 -2.045 1.00 0.00 C ATOM 0 H ILE A 86 1.731 3.366 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 86 0.669 1.342 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 86 1.881 4.062 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.050 1.741 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.877 1.578 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.836 4.108 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.371 4.214 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.135 2.681 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.385 2.447 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.132 3.658 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.293 3.824 -1.302 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.595 2.116 -4.857 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.951 2.565 -5.165 1.00 0.00 C ATOM 1189 C GLN A 87 -3.991 1.608 -4.595 1.00 0.00 C ATOM 1190 O GLN A 87 -3.659 0.517 -4.133 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.136 2.697 -6.677 1.00 0.00 C ATOM 1192 CG GLN A 87 -3.647 4.061 -7.111 1.00 0.00 C ATOM 1193 CD GLN A 87 -3.441 4.319 -8.591 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -3.488 3.398 -9.406 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -3.210 5.578 -8.946 1.00 0.00 N ATOM 0 H GLN A 87 -1.502 1.108 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.094 3.541 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.183 2.502 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.834 1.932 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.709 4.138 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.137 4.835 -6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.180 6.310 -8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.063 5.812 -9.928 1.00 0.00 H new ATOM 1204 N PHE A 88 -5.254 2.026 -4.627 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.348 1.212 -4.111 1.00 0.00 C ATOM 1206 C PHE A 88 -6.678 0.064 -5.060 1.00 0.00 C ATOM 1207 O PHE A 88 -6.727 0.243 -6.276 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.591 2.075 -3.896 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.282 3.494 -3.509 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -7.079 3.835 -2.182 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.198 4.485 -4.474 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.797 5.140 -1.824 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -6.917 5.792 -4.121 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.716 6.118 -2.794 1.00 0.00 C ATOM 0 H PHE A 88 -5.544 2.927 -5.007 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.029 0.789 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.183 2.078 -4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.207 1.622 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.142 3.073 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.354 4.234 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.640 5.394 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.855 6.556 -4.881 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.496 7.138 -2.516 1.00 0.00 H new ATOM 1224 N SER A 89 -6.913 -1.115 -4.491 1.00 0.00 N ATOM 1225 CA SER A 89 -7.248 -2.294 -5.282 1.00 0.00 C ATOM 1226 C SER A 89 -8.098 -3.269 -4.472 1.00 0.00 C ATOM 1227 O SER A 89 -7.583 -4.231 -3.903 1.00 0.00 O ATOM 1228 CB SER A 89 -5.976 -2.991 -5.767 1.00 0.00 C ATOM 1229 OG SER A 89 -6.238 -3.803 -6.898 1.00 0.00 O ATOM 0 H SER A 89 -6.877 -1.279 -3.485 1.00 0.00 H new ATOM 0 HA SER A 89 -7.825 -1.966 -6.147 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.222 -2.245 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.564 -3.603 -4.964 1.00 0.00 H new ATOM 0 HG SER A 89 -5.408 -4.236 -7.189 1.00 0.00 H new ATOM 1235 N ASN A 90 -9.401 -3.011 -4.424 1.00 0.00 N ATOM 1236 CA ASN A 90 -10.321 -3.867 -3.683 1.00 0.00 C ATOM 1237 C ASN A 90 -10.323 -3.507 -2.200 1.00 0.00 C ATOM 1238 O ASN A 90 -10.045 -2.367 -1.828 1.00 0.00 O ATOM 1239 CB ASN A 90 -9.942 -5.338 -3.863 1.00 0.00 C ATOM 1240 CG ASN A 90 -9.609 -5.676 -5.304 1.00 0.00 C ATOM 1241 OD1 ASN A 90 -10.499 -5.798 -6.146 1.00 0.00 O ATOM 1242 ND2 ASN A 90 -8.323 -5.831 -5.593 1.00 0.00 N ATOM 0 H ASN A 90 -9.843 -2.218 -4.888 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.324 -3.708 -4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.085 -5.570 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.766 -5.967 -3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -8.038 -6.061 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.619 -5.720 -4.863 1.00 0.00 H new ATOM 1249 N HIS A 91 -10.637 -4.486 -1.357 1.00 0.00 N ATOM 1250 CA HIS A 91 -10.674 -4.269 0.085 1.00 0.00 C ATOM 1251 C HIS A 91 -10.079 -5.460 0.831 1.00 0.00 C ATOM 1252 O HIS A 91 -9.111 -5.317 1.577 1.00 0.00 O ATOM 1253 CB HIS A 91 -12.111 -4.029 0.549 1.00 0.00 C ATOM 1254 CG HIS A 91 -12.355 -2.636 1.040 1.00 0.00 C ATOM 1255 ND1 HIS A 91 -13.357 -1.828 0.545 1.00 0.00 N ATOM 1256 CD2 HIS A 91 -11.724 -1.908 1.990 1.00 0.00 C ATOM 1257 CE1 HIS A 91 -13.330 -0.663 1.167 1.00 0.00 C ATOM 1258 NE2 HIS A 91 -12.348 -0.686 2.050 1.00 0.00 N ATOM 0 H HIS A 91 -10.869 -5.436 -1.647 1.00 0.00 H new ATOM 0 HA HIS A 91 -10.075 -3.387 0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.791 -4.239 -0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -12.350 -4.734 1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.885 -2.228 2.590 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -13.997 0.167 0.985 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -12.094 0.079 2.675 1.00 0.00 H new ATOM 1267 N LYS A 92 -10.666 -6.635 0.624 1.00 0.00 N ATOM 1268 CA LYS A 92 -10.194 -7.851 1.277 1.00 0.00 C ATOM 1269 C LYS A 92 -9.774 -7.567 2.716 1.00 0.00 C ATOM 1270 O LYS A 92 -8.601 -7.700 3.068 1.00 0.00 O ATOM 1271 CB LYS A 92 -9.021 -8.450 0.499 1.00 0.00 C ATOM 1272 CG LYS A 92 -9.315 -8.666 -0.976 1.00 0.00 C ATOM 1273 CD LYS A 92 -9.759 -10.093 -1.253 1.00 0.00 C ATOM 1274 CE LYS A 92 -8.602 -10.950 -1.741 1.00 0.00 C ATOM 1275 NZ LYS A 92 -9.072 -12.232 -2.335 1.00 0.00 N ATOM 0 H LYS A 92 -11.469 -6.771 0.010 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.015 -8.568 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.158 -7.792 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.747 -9.404 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.092 -7.973 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.424 -8.441 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.178 -10.528 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.552 -10.090 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.027 -10.395 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.930 -11.160 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.253 -12.787 -2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.599 -12.773 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.693 -12.032 -3.145 1.00 0.00 H new ATOM 1289 N GLU A 93 -10.737 -7.175 3.543 1.00 0.00 N ATOM 1290 CA GLU A 93 -10.467 -6.872 4.943 1.00 0.00 C ATOM 1291 C GLU A 93 -9.460 -7.857 5.528 1.00 0.00 C ATOM 1292 O GLU A 93 -9.519 -9.056 5.255 1.00 0.00 O ATOM 1293 CB GLU A 93 -11.764 -6.908 5.754 1.00 0.00 C ATOM 1294 CG GLU A 93 -11.832 -5.845 6.839 1.00 0.00 C ATOM 1295 CD GLU A 93 -13.228 -5.280 7.014 1.00 0.00 C ATOM 1296 OE1 GLU A 93 -14.193 -6.074 7.030 1.00 0.00 O ATOM 1297 OE2 GLU A 93 -13.357 -4.044 7.135 1.00 0.00 O ATOM 0 H GLU A 93 -11.712 -7.060 3.267 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.041 -5.870 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.609 -6.780 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.869 -7.891 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.496 -6.273 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.144 -5.036 6.593 1.00 0.00 H new ATOM 1304 N LEU A 94 -8.538 -7.343 6.335 1.00 0.00 N ATOM 1305 CA LEU A 94 -7.517 -8.176 6.959 1.00 0.00 C ATOM 1306 C LEU A 94 -8.014 -8.741 8.286 1.00 0.00 C ATOM 1307 O LEU A 94 -8.179 -8.008 9.262 1.00 0.00 O ATOM 1308 CB LEU A 94 -6.236 -7.370 7.183 1.00 0.00 C ATOM 1309 CG LEU A 94 -5.221 -7.437 6.040 1.00 0.00 C ATOM 1310 CD1 LEU A 94 -4.477 -8.763 6.064 1.00 0.00 C ATOM 1311 CD2 LEU A 94 -5.915 -7.237 4.700 1.00 0.00 C ATOM 0 H LEU A 94 -8.477 -6.353 6.572 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.301 -9.007 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.505 -6.327 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.757 -7.724 8.096 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.496 -6.635 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.760 -8.793 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.949 -8.867 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.188 -9.581 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.179 -7.288 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.662 -8.018 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.402 -6.262 4.684 1.00 0.00 H new ATOM 1323 N LYS A 95 -8.250 -10.049 8.317 1.00 0.00 N ATOM 1324 CA LYS A 95 -8.729 -10.711 9.526 1.00 0.00 C ATOM 1325 C LYS A 95 -7.612 -11.516 10.182 1.00 0.00 C ATOM 1326 O LYS A 95 -7.186 -12.546 9.660 1.00 0.00 O ATOM 1327 CB LYS A 95 -9.908 -11.627 9.197 1.00 0.00 C ATOM 1328 CG LYS A 95 -11.262 -10.954 9.349 1.00 0.00 C ATOM 1329 CD LYS A 95 -11.760 -11.023 10.784 1.00 0.00 C ATOM 1330 CE LYS A 95 -13.264 -11.238 10.844 1.00 0.00 C ATOM 1331 NZ LYS A 95 -13.750 -11.379 12.243 1.00 0.00 N ATOM 0 H LYS A 95 -8.118 -10.671 7.520 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.059 -9.943 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.803 -11.987 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.871 -12.501 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.189 -9.912 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.984 -11.434 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.255 -11.835 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.503 -10.100 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.770 -10.398 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.526 -12.132 10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.780 -11.524 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.287 -12.195 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.524 -10.516 12.778 1.00 0.00 H new ATOM 1345 N THR A 96 -7.142 -11.038 11.330 1.00 0.00 N ATOM 1346 CA THR A 96 -6.075 -11.713 12.059 1.00 0.00 C ATOM 1347 C THR A 96 -6.570 -12.229 13.406 1.00 0.00 C ATOM 1348 O THR A 96 -7.204 -11.498 14.166 1.00 0.00 O ATOM 1349 CB THR A 96 -4.874 -10.778 12.291 1.00 0.00 C ATOM 1350 OG1 THR A 96 -5.308 -9.574 12.937 1.00 0.00 O ATOM 1351 CG2 THR A 96 -4.194 -10.433 10.974 1.00 0.00 C ATOM 0 H THR A 96 -7.483 -10.186 11.775 1.00 0.00 H new ATOM 0 HA THR A 96 -5.757 -12.555 11.445 1.00 0.00 H new ATOM 0 HB THR A 96 -4.157 -11.296 12.928 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.103 -9.762 13.479 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.349 -9.772 11.163 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.840 -11.347 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.906 -9.933 10.317 1.00 0.00 H new ATOM 1359 N ASP A 97 -6.275 -13.492 13.694 1.00 0.00 N ATOM 1360 CA ASP A 97 -6.689 -14.106 14.950 1.00 0.00 C ATOM 1361 C ASP A 97 -5.866 -13.568 16.116 1.00 0.00 C ATOM 1362 O ASP A 97 -4.814 -14.114 16.452 1.00 0.00 O ATOM 1363 CB ASP A 97 -6.548 -15.626 14.870 1.00 0.00 C ATOM 1364 CG ASP A 97 -7.870 -16.316 14.597 1.00 0.00 C ATOM 1365 OD1 ASP A 97 -8.409 -16.145 13.484 1.00 0.00 O ATOM 1366 OD2 ASP A 97 -8.365 -17.028 15.495 1.00 0.00 O ATOM 0 H ASP A 97 -5.751 -14.110 13.075 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.736 -13.854 15.121 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.839 -15.881 14.083 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.133 -15.999 15.806 1.00 0.00 H new ATOM 1371 N SER A 98 -6.352 -12.494 16.731 1.00 0.00 N ATOM 1372 CA SER A 98 -5.660 -11.882 17.860 1.00 0.00 C ATOM 1373 C SER A 98 -6.344 -10.585 18.278 1.00 0.00 C ATOM 1374 O SER A 98 -5.704 -9.537 18.375 1.00 0.00 O ATOM 1375 CB SER A 98 -4.198 -11.610 17.503 1.00 0.00 C ATOM 1376 OG SER A 98 -4.098 -10.809 16.338 1.00 0.00 O ATOM 0 H SER A 98 -7.221 -12.030 16.467 1.00 0.00 H new ATOM 0 HA SER A 98 -5.698 -12.578 18.698 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.704 -11.109 18.336 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.677 -12.554 17.345 1.00 0.00 H new ATOM 0 HG SER A 98 -4.464 -9.918 16.521 1.00 0.00 H new ATOM 1382 N SER A 99 -7.648 -10.662 18.526 1.00 0.00 N ATOM 1383 CA SER A 99 -8.418 -9.494 18.933 1.00 0.00 C ATOM 1384 C SER A 99 -8.270 -9.239 20.429 1.00 0.00 C ATOM 1385 O SER A 99 -7.660 -10.087 21.116 1.00 0.00 O ATOM 1386 CB SER A 99 -9.895 -9.682 18.581 1.00 0.00 C ATOM 1387 OG SER A 99 -10.136 -10.982 18.070 1.00 0.00 O ATOM 0 H SER A 99 -8.192 -11.521 18.452 1.00 0.00 H new ATOM 0 HA SER A 99 -8.030 -8.629 18.394 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.507 -9.517 19.468 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.194 -8.937 17.844 1.00 0.00 H new ATOM 0 HG SER A 99 -11.087 -11.078 17.854 1.00 0.00 H new TER 1393 SER A 99