USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1137 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 113 SER OG : rot -87:sc= -0.24 USER MOD Set 1.2: A 117 GLN : amide:sc= -2.45! K(o=-2.7!,f=-2.1) USER MOD Set 2.1: A 3 ASN : amide:sc= -2.57 K(o=-6.5,f=-4.3!) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 63 ASN : amide:sc= -3.91 K(o=-6.5,f=-4.3) USER MOD Set 3.1: A 21 MET CE :methyl -143:sc= -4.89! (180deg=-8.45!) USER MOD Set 3.2: A 28 CYS SG : rot 66:sc= -0.308 USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.247 (180deg=-0.608) USER MOD Single : A 6 HIS : no HD1:sc= -0.871 X(o=-0.87,f=-0.5) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -5.58! C(o=-5.6!,f=-2.4!) USER MOD Single : A 15 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-5.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -27:sc= -2.85! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -150:sc= -1.28! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -110:sc= 0.318 (180deg=-0.0124) USER MOD Single : A 27 GLN : amide:sc= -4.1 K(o=-4.1,f=-8.1!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0976 X(o=-0.098,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -107:sc= -0.24 (180deg=-2.23!) USER MOD Single : A 46 GLN : amide:sc= -9.33! C(o=-9.3!,f=-12!) USER MOD Single : A 55 SER OG : rot 149:sc= 0.543 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 158:sc= -5.48! (180deg=-8.91!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.81! C(o=-2.8!,f=-5.3!) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0382) USER MOD Single : A 80 SER OG : rot 99:sc= 0.857 USER MOD Single : A 81 ASN : amide:sc= -0.0228 K(o=-0.023,f=-3.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.42) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 160:sc= -0.204 USER MOD Single : A 93 GLN : amide:sc= -0.0669 K(o=-0.067,f=-1.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -5.29! C(o=-5.3!,f=-15!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 70:sc= 0.971! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -8.87! C(o=-8.9!,f=-16!) USER MOD Single : A 122 MET CE :methyl 138:sc= -6.21! (180deg=-11.6!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -9.46! C(o=-9.5!,f=-6.2!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.071) USER MOD Single : A 138 GLN : amide:sc= -0.921 K(o=-0.92,f=-0.068) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -17.938 -0.198 -6.301 1.00 0.00 N ATOM 21 CA GLU A 2 -17.355 -1.177 -7.211 1.00 0.00 C ATOM 22 C GLU A 2 -15.838 -1.236 -7.053 1.00 0.00 C ATOM 23 O GLU A 2 -15.211 -2.246 -7.372 1.00 0.00 O ATOM 24 CB GLU A 2 -17.713 -0.835 -8.658 1.00 0.00 C ATOM 25 CG GLU A 2 -19.207 -0.695 -8.899 1.00 0.00 C ATOM 26 CD GLU A 2 -19.590 -0.937 -10.347 1.00 0.00 C ATOM 27 OE1 GLU A 2 -19.724 -2.116 -10.737 1.00 0.00 O ATOM 28 OE2 GLU A 2 -19.753 0.053 -11.089 1.00 0.00 O ATOM 0 HA GLU A 2 -17.766 -2.155 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.220 0.097 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.319 -1.611 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.741 -1.401 -8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.527 0.305 -8.605 1.00 0.00 H new ATOM 35 N ASN A 3 -15.253 -0.147 -6.564 1.00 0.00 N ATOM 36 CA ASN A 3 -13.813 -0.073 -6.369 1.00 0.00 C ATOM 37 C ASN A 3 -13.404 -0.717 -5.050 1.00 0.00 C ATOM 38 O ASN A 3 -12.339 -1.326 -4.948 1.00 0.00 O ATOM 39 CB ASN A 3 -13.363 1.384 -6.378 1.00 0.00 C ATOM 40 CG ASN A 3 -13.959 2.178 -7.521 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.582 1.621 -8.424 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.765 3.489 -7.481 1.00 0.00 N ATOM 0 H ASN A 3 -15.758 0.698 -6.295 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.334 -0.615 -7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.642 1.851 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.276 1.423 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.140 4.083 -8.221 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.241 3.904 -6.710 1.00 0.00 H new ATOM 49 N LEU A 4 -14.255 -0.570 -4.039 1.00 0.00 N ATOM 50 CA LEU A 4 -13.982 -1.126 -2.721 1.00 0.00 C ATOM 51 C LEU A 4 -13.658 -2.608 -2.814 1.00 0.00 C ATOM 52 O LEU A 4 -12.667 -3.074 -2.258 1.00 0.00 O ATOM 53 CB LEU A 4 -15.180 -0.905 -1.794 1.00 0.00 C ATOM 54 CG LEU A 4 -15.106 0.355 -0.931 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.501 0.898 -0.659 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.382 0.063 0.376 1.00 0.00 C ATOM 0 H LEU A 4 -15.141 -0.069 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.115 -0.611 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.085 -0.860 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.278 -1.771 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.543 1.113 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.429 1.795 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.986 1.144 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.089 0.145 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.338 0.970 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.919 -0.711 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.370 -0.280 0.162 1.00 0.00 H new ATOM 68 N LYS A 5 -14.496 -3.345 -3.524 1.00 0.00 N ATOM 69 CA LYS A 5 -14.286 -4.779 -3.685 1.00 0.00 C ATOM 70 C LYS A 5 -12.990 -5.058 -4.439 1.00 0.00 C ATOM 71 O LYS A 5 -12.409 -6.136 -4.312 1.00 0.00 O ATOM 72 CB LYS A 5 -15.468 -5.420 -4.417 1.00 0.00 C ATOM 73 CG LYS A 5 -16.826 -4.995 -3.881 1.00 0.00 C ATOM 74 CD LYS A 5 -16.987 -5.362 -2.414 1.00 0.00 C ATOM 75 CE LYS A 5 -18.388 -5.050 -1.911 1.00 0.00 C ATOM 76 NZ LYS A 5 -19.435 -5.452 -2.890 1.00 0.00 N ATOM 0 H LYS A 5 -15.323 -2.980 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.210 -5.219 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.409 -5.165 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.383 -6.504 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.946 -3.918 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.614 -5.471 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.779 -6.423 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.256 -4.815 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.557 -5.567 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.471 -3.982 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.358 -5.495 -2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.476 -4.755 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.204 -6.387 -3.281 1.00 0.00 H new ATOM 90 N HIS A 6 -12.533 -4.077 -5.207 1.00 0.00 N ATOM 91 CA HIS A 6 -11.295 -4.219 -5.961 1.00 0.00 C ATOM 92 C HIS A 6 -10.113 -3.797 -5.099 1.00 0.00 C ATOM 93 O HIS A 6 -9.003 -4.306 -5.250 1.00 0.00 O ATOM 94 CB HIS A 6 -11.341 -3.384 -7.241 1.00 0.00 C ATOM 95 CG HIS A 6 -10.693 -4.053 -8.415 1.00 0.00 C ATOM 96 ND1 HIS A 6 -10.722 -5.418 -8.613 1.00 0.00 N ATOM 97 CD2 HIS A 6 -9.995 -3.540 -9.455 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.069 -5.714 -9.722 1.00 0.00 C ATOM 99 NE2 HIS A 6 -9.618 -4.592 -10.253 1.00 0.00 N ATOM 0 H HIS A 6 -13.000 -3.177 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.177 -5.266 -6.241 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.380 -3.166 -7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.849 -2.429 -7.060 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.775 -2.496 -9.626 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.928 -6.705 -10.126 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.078 -4.519 -11.115 1.00 0.00 H new ATOM 108 N ILE A 7 -10.371 -2.869 -4.183 1.00 0.00 N ATOM 109 CA ILE A 7 -9.347 -2.377 -3.277 1.00 0.00 C ATOM 110 C ILE A 7 -9.170 -3.334 -2.104 1.00 0.00 C ATOM 111 O ILE A 7 -8.049 -3.656 -1.720 1.00 0.00 O ATOM 112 CB ILE A 7 -9.703 -0.974 -2.750 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.517 0.059 -3.865 1.00 0.00 C ATOM 114 CG2 ILE A 7 -8.850 -0.607 -1.537 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.782 0.789 -4.255 1.00 0.00 C ATOM 0 H ILE A 7 -11.288 -2.442 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.412 -2.314 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.746 -0.979 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.773 0.790 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.115 -0.442 -4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.124 0.388 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.020 -1.331 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.797 -0.616 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.561 1.501 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.523 0.071 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.176 1.322 -3.390 1.00 0.00 H new ATOM 127 N ILE A 8 -10.286 -3.787 -1.540 1.00 0.00 N ATOM 128 CA ILE A 8 -10.246 -4.709 -0.418 1.00 0.00 C ATOM 129 C ILE A 8 -9.619 -6.020 -0.851 1.00 0.00 C ATOM 130 O ILE A 8 -8.703 -6.532 -0.209 1.00 0.00 O ATOM 131 CB ILE A 8 -11.654 -4.989 0.123 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.354 -3.680 0.486 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.597 -5.920 1.324 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.857 -3.812 0.593 1.00 0.00 C ATOM 0 H ILE A 8 -11.225 -3.529 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.651 -4.248 0.371 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.230 -5.484 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.960 -3.317 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.115 -2.928 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.607 -6.104 1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.140 -6.865 1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.003 -5.459 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.289 -2.846 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.262 -4.145 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.104 -4.540 1.366 1.00 0.00 H new ATOM 146 N THR A 9 -10.117 -6.547 -1.961 1.00 0.00 N ATOM 147 CA THR A 9 -9.601 -7.796 -2.505 1.00 0.00 C ATOM 148 C THR A 9 -8.127 -7.630 -2.838 1.00 0.00 C ATOM 149 O THR A 9 -7.296 -8.463 -2.477 1.00 0.00 O ATOM 150 CB THR A 9 -10.391 -8.210 -3.750 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.233 -9.594 -4.005 1.00 0.00 O ATOM 152 CG2 THR A 9 -9.977 -7.464 -5.000 1.00 0.00 C ATOM 0 H THR A 9 -10.875 -6.131 -2.501 1.00 0.00 H new ATOM 0 HA THR A 9 -9.714 -8.584 -1.760 1.00 0.00 H new ATOM 0 HB THR A 9 -11.429 -7.963 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.746 -9.840 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.577 -7.806 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.133 -6.395 -4.854 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.923 -7.652 -5.204 1.00 0.00 H new ATOM 160 N LEU A 10 -7.808 -6.529 -3.513 1.00 0.00 N ATOM 161 CA LEU A 10 -6.434 -6.235 -3.870 1.00 0.00 C ATOM 162 C LEU A 10 -5.632 -5.978 -2.611 1.00 0.00 C ATOM 163 O LEU A 10 -4.449 -6.311 -2.535 1.00 0.00 O ATOM 164 CB LEU A 10 -6.350 -5.029 -4.806 1.00 0.00 C ATOM 165 CG LEU A 10 -4.946 -4.717 -5.332 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.169 -6.002 -5.593 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.025 -3.875 -6.596 1.00 0.00 C ATOM 0 H LEU A 10 -8.485 -5.831 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.021 -7.094 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.011 -5.200 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.728 -4.152 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.415 -4.147 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.175 -5.757 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.079 -6.568 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.697 -6.602 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.018 -3.663 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.577 -4.420 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.537 -2.938 -6.378 1.00 0.00 H new ATOM 179 N GLY A 11 -6.294 -5.418 -1.602 1.00 0.00 N ATOM 180 CA GLY A 11 -5.625 -5.172 -0.349 1.00 0.00 C ATOM 181 C GLY A 11 -5.169 -6.475 0.259 1.00 0.00 C ATOM 182 O GLY A 11 -4.155 -6.530 0.952 1.00 0.00 O ATOM 0 H GLY A 11 -7.273 -5.134 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.769 -4.516 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.298 -4.657 0.337 1.00 0.00 H new ATOM 186 N GLN A 12 -5.920 -7.539 -0.032 1.00 0.00 N ATOM 187 CA GLN A 12 -5.595 -8.867 0.461 1.00 0.00 C ATOM 188 C GLN A 12 -4.474 -9.476 -0.368 1.00 0.00 C ATOM 189 O GLN A 12 -3.603 -10.166 0.161 1.00 0.00 O ATOM 190 CB GLN A 12 -6.827 -9.774 0.420 1.00 0.00 C ATOM 191 CG GLN A 12 -7.927 -9.354 1.379 1.00 0.00 C ATOM 192 CD GLN A 12 -7.421 -9.158 2.795 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.541 -9.881 3.259 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.980 -8.174 3.487 1.00 0.00 N ATOM 0 H GLN A 12 -6.760 -7.500 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.264 -8.777 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.226 -9.784 -0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.524 -10.795 0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.377 -8.426 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.712 -10.110 1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.707 -7.600 3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.683 -7.992 4.446 1.00 0.00 H new ATOM 203 N VAL A 13 -4.488 -9.202 -1.668 1.00 0.00 N ATOM 204 CA VAL A 13 -3.455 -9.709 -2.555 1.00 0.00 C ATOM 205 C VAL A 13 -2.152 -8.999 -2.257 1.00 0.00 C ATOM 206 O VAL A 13 -1.166 -9.619 -1.870 1.00 0.00 O ATOM 207 CB VAL A 13 -3.831 -9.507 -4.029 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.624 -9.708 -4.935 1.00 0.00 C ATOM 209 CG2 VAL A 13 -4.957 -10.449 -4.406 1.00 0.00 C ATOM 0 H VAL A 13 -5.201 -8.634 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.348 -10.780 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.173 -8.481 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.920 -9.559 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.848 -8.989 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.239 -10.720 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.220 -10.301 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.635 -11.479 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.827 -10.245 -3.781 1.00 0.00 H new ATOM 219 N ILE A 14 -2.172 -7.681 -2.402 1.00 0.00 N ATOM 220 CA ILE A 14 -1.006 -6.867 -2.107 1.00 0.00 C ATOM 221 C ILE A 14 -0.405 -7.311 -0.773 1.00 0.00 C ATOM 222 O ILE A 14 0.806 -7.241 -0.563 1.00 0.00 O ATOM 223 CB ILE A 14 -1.394 -5.370 -2.041 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.873 -4.622 -3.268 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.890 -4.718 -0.762 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.693 -3.404 -3.604 1.00 0.00 C ATOM 0 H ILE A 14 -2.985 -7.155 -2.723 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.270 -6.997 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.482 -5.312 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.160 -4.321 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.867 -5.297 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.181 -3.668 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.324 -5.224 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.196 -4.794 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.275 -2.915 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.721 -3.703 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.678 -2.712 -2.762 1.00 0.00 H new ATOM 238 N HIS A 15 -1.280 -7.776 0.117 1.00 0.00 N ATOM 239 CA HIS A 15 -0.871 -8.247 1.426 1.00 0.00 C ATOM 240 C HIS A 15 -0.402 -9.701 1.356 1.00 0.00 C ATOM 241 O HIS A 15 0.556 -10.082 2.028 1.00 0.00 O ATOM 242 CB HIS A 15 -2.035 -8.088 2.411 1.00 0.00 C ATOM 243 CG HIS A 15 -2.190 -9.215 3.382 1.00 0.00 C ATOM 244 ND1 HIS A 15 -3.163 -10.179 3.250 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.496 -9.530 4.501 1.00 0.00 C ATOM 246 CE1 HIS A 15 -3.064 -11.038 4.243 1.00 0.00 C ATOM 247 NE2 HIS A 15 -2.061 -10.670 5.018 1.00 0.00 N ATOM 0 H HIS A 15 -2.284 -7.834 -0.053 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.030 -7.649 1.776 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.897 -7.162 2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.961 -7.984 1.845 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -3.853 -10.222 2.500 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.657 -8.987 4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.697 -11.899 4.397 1.00 0.00 H new ATOM 256 N LYS A 16 -1.080 -10.512 0.541 1.00 0.00 N ATOM 257 CA LYS A 16 -0.710 -11.917 0.405 1.00 0.00 C ATOM 258 C LYS A 16 0.583 -12.059 -0.395 1.00 0.00 C ATOM 259 O LYS A 16 1.467 -12.834 -0.028 1.00 0.00 O ATOM 260 CB LYS A 16 -1.849 -12.717 -0.243 1.00 0.00 C ATOM 261 CG LYS A 16 -1.850 -12.701 -1.764 1.00 0.00 C ATOM 262 CD LYS A 16 -3.186 -13.166 -2.316 1.00 0.00 C ATOM 263 CE LYS A 16 -3.254 -14.681 -2.416 1.00 0.00 C ATOM 264 NZ LYS A 16 -3.822 -15.126 -3.718 1.00 0.00 N ATOM 0 H LYS A 16 -1.877 -10.223 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.536 -12.324 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.787 -13.751 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.801 -12.321 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.637 -11.693 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.055 -13.346 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.990 -12.807 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.345 -12.728 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.254 -15.098 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.864 -15.072 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.852 -16.165 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.786 -14.749 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.226 -14.775 -4.495 1.00 0.00 H new ATOM 278 N ARG A 17 0.697 -11.298 -1.480 1.00 0.00 N ATOM 279 CA ARG A 17 1.892 -11.334 -2.312 1.00 0.00 C ATOM 280 C ARG A 17 3.090 -10.821 -1.527 1.00 0.00 C ATOM 281 O ARG A 17 4.197 -11.346 -1.647 1.00 0.00 O ATOM 282 CB ARG A 17 1.694 -10.493 -3.573 1.00 0.00 C ATOM 283 CG ARG A 17 0.529 -10.952 -4.435 1.00 0.00 C ATOM 284 CD ARG A 17 0.962 -11.206 -5.870 1.00 0.00 C ATOM 285 NE ARG A 17 0.058 -12.124 -6.559 1.00 0.00 N ATOM 286 CZ ARG A 17 0.378 -12.791 -7.666 1.00 0.00 C ATOM 287 NH1 ARG A 17 1.580 -12.650 -8.211 1.00 0.00 N ATOM 288 NH2 ARG A 17 -0.505 -13.605 -8.228 1.00 0.00 N ATOM 0 H ARG A 17 -0.023 -10.651 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 17 2.076 -12.367 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.535 -9.454 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.608 -10.523 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.102 -11.863 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.256 -10.196 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.000 -10.260 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.971 -11.617 -5.877 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.874 -12.262 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.265 -12.028 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.819 -13.164 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.429 -13.720 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.260 -14.116 -9.076 1.00 0.00 H new ATOM 302 N CYS A 18 2.856 -9.800 -0.713 1.00 0.00 N ATOM 303 CA CYS A 18 3.912 -9.228 0.106 1.00 0.00 C ATOM 304 C CYS A 18 4.191 -10.136 1.299 1.00 0.00 C ATOM 305 O CYS A 18 5.321 -10.229 1.776 1.00 0.00 O ATOM 306 CB CYS A 18 3.531 -7.820 0.572 1.00 0.00 C ATOM 307 SG CYS A 18 2.495 -7.764 2.054 1.00 0.00 S ATOM 0 H CYS A 18 1.946 -9.353 -0.604 1.00 0.00 H new ATOM 0 HA CYS A 18 4.819 -9.149 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.444 -7.257 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.008 -7.314 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 18 1.796 -8.857 2.137 1.00 0.00 H new ATOM 313 N GLU A 19 3.150 -10.818 1.763 1.00 0.00 N ATOM 314 CA GLU A 19 3.286 -11.737 2.882 1.00 0.00 C ATOM 315 C GLU A 19 4.188 -12.897 2.484 1.00 0.00 C ATOM 316 O GLU A 19 4.887 -13.471 3.318 1.00 0.00 O ATOM 317 CB GLU A 19 1.914 -12.260 3.319 1.00 0.00 C ATOM 318 CG GLU A 19 1.334 -11.520 4.514 1.00 0.00 C ATOM 319 CD GLU A 19 1.286 -12.377 5.763 1.00 0.00 C ATOM 320 OE1 GLU A 19 0.993 -13.586 5.644 1.00 0.00 O ATOM 321 OE2 GLU A 19 1.541 -11.840 6.862 1.00 0.00 O ATOM 0 H GLU A 19 2.206 -10.751 1.382 1.00 0.00 H new ATOM 0 HA GLU A 19 3.733 -11.206 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.221 -12.181 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.999 -13.319 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.932 -10.630 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.327 -11.180 4.272 1.00 0.00 H new ATOM 328 N GLU A 20 4.166 -13.232 1.195 1.00 0.00 N ATOM 329 CA GLU A 20 4.988 -14.321 0.678 1.00 0.00 C ATOM 330 C GLU A 20 6.282 -13.798 0.047 1.00 0.00 C ATOM 331 O GLU A 20 7.086 -14.574 -0.467 1.00 0.00 O ATOM 332 CB GLU A 20 4.199 -15.142 -0.347 1.00 0.00 C ATOM 333 CG GLU A 20 3.794 -14.356 -1.584 1.00 0.00 C ATOM 334 CD GLU A 20 4.927 -14.209 -2.580 1.00 0.00 C ATOM 335 OE1 GLU A 20 5.120 -15.130 -3.400 1.00 0.00 O ATOM 336 OE2 GLU A 20 5.622 -13.172 -2.540 1.00 0.00 O ATOM 0 H GLU A 20 3.590 -12.766 0.493 1.00 0.00 H new ATOM 0 HA GLU A 20 5.258 -14.960 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.800 -15.998 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.302 -15.537 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.953 -14.854 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.449 -13.367 -1.284 1.00 0.00 H new ATOM 343 N MET A 21 6.481 -12.479 0.089 1.00 0.00 N ATOM 344 CA MET A 21 7.681 -11.868 -0.478 1.00 0.00 C ATOM 345 C MET A 21 8.937 -12.394 0.202 1.00 0.00 C ATOM 346 O MET A 21 9.007 -12.477 1.428 1.00 0.00 O ATOM 347 CB MET A 21 7.622 -10.344 -0.349 1.00 0.00 C ATOM 348 CG MET A 21 7.029 -9.655 -1.566 1.00 0.00 C ATOM 349 SD MET A 21 8.039 -9.870 -3.042 1.00 0.00 S ATOM 350 CE MET A 21 8.287 -8.168 -3.543 1.00 0.00 C ATOM 0 H MET A 21 5.828 -11.817 0.509 1.00 0.00 H new ATOM 0 HA MET A 21 7.721 -12.135 -1.534 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.031 -10.084 0.529 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.629 -9.962 -0.180 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.030 -10.050 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.917 -8.591 -1.358 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.272 -8.103 -4.631 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.491 -7.548 -3.132 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.249 -7.816 -3.172 1.00 0.00 H new ATOM 360 N LYS A 22 9.930 -12.741 -0.607 1.00 0.00 N ATOM 361 CA LYS A 22 11.193 -13.252 -0.092 1.00 0.00 C ATOM 362 C LYS A 22 12.277 -12.176 -0.140 1.00 0.00 C ATOM 363 O LYS A 22 13.405 -12.404 0.297 1.00 0.00 O ATOM 364 CB LYS A 22 11.637 -14.478 -0.893 1.00 0.00 C ATOM 365 CG LYS A 22 11.473 -14.317 -2.396 1.00 0.00 C ATOM 366 CD LYS A 22 12.034 -15.512 -3.149 1.00 0.00 C ATOM 367 CE LYS A 22 11.283 -15.751 -4.448 1.00 0.00 C ATOM 368 NZ LYS A 22 12.046 -16.627 -5.379 1.00 0.00 N ATOM 0 H LYS A 22 9.885 -12.678 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 22 11.041 -13.542 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.683 -14.687 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.062 -15.344 -0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.417 -14.197 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.980 -13.409 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.090 -15.346 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.971 -16.401 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.317 -16.207 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.082 -14.795 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.499 -16.765 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.957 -16.180 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.216 -17.548 -4.928 1.00 0.00 H new ATOM 382 N TYR A 23 11.933 -11.003 -0.673 1.00 0.00 N ATOM 383 CA TYR A 23 12.888 -9.905 -0.769 1.00 0.00 C ATOM 384 C TYR A 23 12.276 -8.596 -0.281 1.00 0.00 C ATOM 385 O TYR A 23 11.092 -8.337 -0.487 1.00 0.00 O ATOM 386 CB TYR A 23 13.376 -9.750 -2.208 1.00 0.00 C ATOM 387 CG TYR A 23 14.654 -10.505 -2.492 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.629 -11.858 -2.804 1.00 0.00 C ATOM 389 CD2 TYR A 23 15.887 -9.866 -2.443 1.00 0.00 C ATOM 390 CE1 TYR A 23 15.795 -12.552 -3.061 1.00 0.00 C ATOM 391 CE2 TYR A 23 17.058 -10.554 -2.697 1.00 0.00 C ATOM 392 CZ TYR A 23 17.006 -11.897 -3.006 1.00 0.00 C ATOM 393 OH TYR A 23 18.170 -12.586 -3.259 1.00 0.00 O ATOM 0 H TYR A 23 11.006 -10.792 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 23 13.737 -10.143 -0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.598 -10.098 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.533 -8.692 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.682 -12.376 -2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.931 -8.814 -2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.758 -13.604 -3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 23 18.008 -10.043 -2.654 1.00 0.00 H new ATOM 0 HH TYR A 23 18.934 -11.977 -3.180 1.00 0.00 H new ATOM 403 N CYS A 24 13.102 -7.776 0.368 1.00 0.00 N ATOM 404 CA CYS A 24 12.664 -6.487 0.896 1.00 0.00 C ATOM 405 C CYS A 24 11.290 -6.595 1.555 1.00 0.00 C ATOM 406 O CYS A 24 10.424 -5.743 1.355 1.00 0.00 O ATOM 407 CB CYS A 24 12.638 -5.440 -0.219 1.00 0.00 C ATOM 408 SG CYS A 24 14.279 -4.894 -0.747 1.00 0.00 S ATOM 0 H CYS A 24 14.085 -7.985 0.541 1.00 0.00 H new ATOM 0 HA CYS A 24 13.378 -6.176 1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 24 12.108 -5.851 -1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.070 -4.574 0.121 1.00 0.00 H new ATOM 0 HG CYS A 24 14.214 -3.665 -1.165 1.00 0.00 H new ATOM 414 N LYS A 25 11.101 -7.653 2.338 1.00 0.00 N ATOM 415 CA LYS A 25 9.837 -7.883 3.028 1.00 0.00 C ATOM 416 C LYS A 25 9.441 -6.670 3.863 1.00 0.00 C ATOM 417 O LYS A 25 8.264 -6.335 3.968 1.00 0.00 O ATOM 418 CB LYS A 25 9.938 -9.118 3.925 1.00 0.00 C ATOM 419 CG LYS A 25 10.171 -10.409 3.158 1.00 0.00 C ATOM 420 CD LYS A 25 10.143 -11.616 4.081 1.00 0.00 C ATOM 421 CE LYS A 25 11.047 -12.727 3.574 1.00 0.00 C ATOM 422 NZ LYS A 25 11.556 -13.579 4.683 1.00 0.00 N ATOM 0 H LYS A 25 11.810 -8.366 2.510 1.00 0.00 H new ATOM 0 HA LYS A 25 9.068 -8.050 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.752 -8.975 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.020 -9.211 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.407 -10.520 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.133 -10.362 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.458 -11.318 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.122 -11.987 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.498 -13.346 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.889 -12.292 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.169 -14.325 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.101 -12.994 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.754 -14.015 5.182 1.00 0.00 H new ATOM 436 N LYS A 26 10.432 -6.015 4.459 1.00 0.00 N ATOM 437 CA LYS A 26 10.184 -4.839 5.289 1.00 0.00 C ATOM 438 C LYS A 26 9.232 -3.865 4.597 1.00 0.00 C ATOM 439 O LYS A 26 8.261 -3.398 5.198 1.00 0.00 O ATOM 440 CB LYS A 26 11.502 -4.132 5.624 1.00 0.00 C ATOM 441 CG LYS A 26 12.515 -4.149 4.489 1.00 0.00 C ATOM 442 CD LYS A 26 13.709 -5.033 4.818 1.00 0.00 C ATOM 443 CE LYS A 26 14.783 -4.264 5.571 1.00 0.00 C ATOM 444 NZ LYS A 26 14.764 -4.568 7.029 1.00 0.00 N ATOM 0 H LYS A 26 11.415 -6.278 4.383 1.00 0.00 H new ATOM 0 HA LYS A 26 9.716 -5.177 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.290 -3.097 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.945 -4.605 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.036 -4.508 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.857 -3.133 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.380 -5.882 5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.128 -5.437 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.762 -4.512 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.636 -3.194 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.425 -3.736 7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.129 -5.372 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.725 -4.808 7.346 1.00 0.00 H new ATOM 458 N GLN A 27 9.510 -3.565 3.332 1.00 0.00 N ATOM 459 CA GLN A 27 8.679 -2.649 2.565 1.00 0.00 C ATOM 460 C GLN A 27 7.413 -3.342 2.074 1.00 0.00 C ATOM 461 O GLN A 27 6.312 -2.803 2.193 1.00 0.00 O ATOM 462 CB GLN A 27 9.465 -2.098 1.377 1.00 0.00 C ATOM 463 CG GLN A 27 10.202 -0.806 1.683 1.00 0.00 C ATOM 464 CD GLN A 27 11.666 -1.035 2.004 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.024 -1.325 3.145 1.00 0.00 O ATOM 466 NE2 GLN A 27 12.520 -0.904 0.997 1.00 0.00 N ATOM 0 H GLN A 27 10.305 -3.944 2.818 1.00 0.00 H new ATOM 0 HA GLN A 27 8.388 -1.825 3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.185 -2.848 1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.780 -1.928 0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.121 -0.134 0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.722 -0.308 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.178 -0.662 0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.518 -1.045 1.153 1.00 0.00 H new ATOM 475 N CYS A 28 7.578 -4.537 1.519 1.00 0.00 N ATOM 476 CA CYS A 28 6.449 -5.303 1.008 1.00 0.00 C ATOM 477 C CYS A 28 5.440 -5.591 2.115 1.00 0.00 C ATOM 478 O CYS A 28 4.283 -5.181 2.034 1.00 0.00 O ATOM 479 CB CYS A 28 6.936 -6.614 0.385 1.00 0.00 C ATOM 480 SG CYS A 28 8.341 -6.420 -0.738 1.00 0.00 S ATOM 0 H CYS A 28 8.483 -4.996 1.412 1.00 0.00 H new ATOM 0 HA CYS A 28 5.954 -4.708 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.215 -7.302 1.183 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.111 -7.074 -0.159 1.00 0.00 H new ATOM 0 HG CYS A 28 9.383 -6.030 -0.066 1.00 0.00 H new ATOM 486 N ARG A 29 5.885 -6.300 3.149 1.00 0.00 N ATOM 487 CA ARG A 29 5.022 -6.645 4.273 1.00 0.00 C ATOM 488 C ARG A 29 4.251 -5.429 4.771 1.00 0.00 C ATOM 489 O ARG A 29 3.026 -5.465 4.889 1.00 0.00 O ATOM 490 CB ARG A 29 5.849 -7.238 5.413 1.00 0.00 C ATOM 491 CG ARG A 29 5.187 -8.430 6.075 1.00 0.00 C ATOM 492 CD ARG A 29 5.759 -8.697 7.459 1.00 0.00 C ATOM 493 NE ARG A 29 7.147 -9.153 7.401 1.00 0.00 N ATOM 494 CZ ARG A 29 8.203 -8.350 7.529 1.00 0.00 C ATOM 495 NH1 ARG A 29 8.043 -7.045 7.716 1.00 0.00 N ATOM 496 NH2 ARG A 29 9.428 -8.857 7.470 1.00 0.00 N ATOM 0 H ARG A 29 6.841 -6.647 3.231 1.00 0.00 H new ATOM 0 HA ARG A 29 4.303 -7.387 3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.823 -7.539 5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.027 -6.467 6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.114 -8.253 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.320 -9.313 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.701 -7.787 8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.152 -9.449 7.963 1.00 0.00 H new ATOM 0 HE ARG A 29 7.318 -10.148 7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.105 -6.648 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.858 -6.440 7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.559 -9.858 7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.238 -8.245 7.568 1.00 0.00 H new ATOM 510 N ARG A 30 4.974 -4.352 5.057 1.00 0.00 N ATOM 511 CA ARG A 30 4.351 -3.127 5.539 1.00 0.00 C ATOM 512 C ARG A 30 3.351 -2.599 4.525 1.00 0.00 C ATOM 513 O ARG A 30 2.229 -2.246 4.874 1.00 0.00 O ATOM 514 CB ARG A 30 5.404 -2.057 5.815 1.00 0.00 C ATOM 515 CG ARG A 30 5.996 -2.128 7.212 1.00 0.00 C ATOM 516 CD ARG A 30 7.256 -1.285 7.326 1.00 0.00 C ATOM 517 NE ARG A 30 8.157 -1.784 8.362 1.00 0.00 N ATOM 518 CZ ARG A 30 9.444 -1.456 8.446 1.00 0.00 C ATOM 519 NH1 ARG A 30 9.985 -0.634 7.555 1.00 0.00 N ATOM 520 NH2 ARG A 30 10.192 -1.950 9.423 1.00 0.00 N ATOM 0 H ARG A 30 5.989 -4.303 4.964 1.00 0.00 H new ATOM 0 HA ARG A 30 3.830 -3.362 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.207 -2.153 5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.957 -1.074 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.260 -1.784 7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.227 -3.164 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.775 -1.277 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.983 -0.254 7.549 1.00 0.00 H new ATOM 0 HE ARG A 30 7.777 -2.421 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.414 -0.251 6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.972 -0.386 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.781 -2.582 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.178 -1.698 9.487 1.00 0.00 H new ATOM 534 N LEU A 31 3.766 -2.550 3.265 1.00 0.00 N ATOM 535 CA LEU A 31 2.898 -2.064 2.201 1.00 0.00 C ATOM 536 C LEU A 31 1.548 -2.767 2.249 1.00 0.00 C ATOM 537 O LEU A 31 0.500 -2.126 2.225 1.00 0.00 O ATOM 538 CB LEU A 31 3.553 -2.278 0.833 1.00 0.00 C ATOM 539 CG LEU A 31 2.642 -2.036 -0.375 1.00 0.00 C ATOM 540 CD1 LEU A 31 1.857 -0.741 -0.211 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.460 -2.005 -1.658 1.00 0.00 C ATOM 0 H LEU A 31 4.694 -2.840 2.956 1.00 0.00 H new ATOM 0 HA LEU A 31 2.741 -0.996 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.416 -1.617 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.929 -3.300 0.785 1.00 0.00 H new ATOM 0 HG LEU A 31 1.930 -2.859 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.217 -0.591 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.241 -0.800 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.550 0.096 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.799 -1.832 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.195 -1.202 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.973 -2.958 -1.786 1.00 0.00 H new ATOM 553 N GLY A 32 1.586 -4.091 2.322 1.00 0.00 N ATOM 554 CA GLY A 32 0.363 -4.863 2.377 1.00 0.00 C ATOM 555 C GLY A 32 -0.329 -4.759 3.719 1.00 0.00 C ATOM 556 O GLY A 32 -1.538 -4.539 3.784 1.00 0.00 O ATOM 0 H GLY A 32 2.443 -4.643 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.315 -4.520 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.588 -5.909 2.168 1.00 0.00 H new ATOM 560 N HIS A 33 0.436 -4.919 4.793 1.00 0.00 N ATOM 561 CA HIS A 33 -0.123 -4.841 6.135 1.00 0.00 C ATOM 562 C HIS A 33 -0.705 -3.457 6.398 1.00 0.00 C ATOM 563 O HIS A 33 -1.701 -3.321 7.107 1.00 0.00 O ATOM 564 CB HIS A 33 0.942 -5.175 7.183 1.00 0.00 C ATOM 565 CG HIS A 33 0.452 -6.098 8.256 1.00 0.00 C ATOM 566 ND1 HIS A 33 0.636 -5.854 9.601 1.00 0.00 N ATOM 567 CD2 HIS A 33 -0.219 -7.271 8.176 1.00 0.00 C ATOM 568 CE1 HIS A 33 0.099 -6.837 10.302 1.00 0.00 C ATOM 569 NE2 HIS A 33 -0.427 -7.709 9.461 1.00 0.00 N ATOM 0 H HIS A 33 1.439 -5.102 4.760 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.927 -5.574 6.210 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.799 -5.630 6.687 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.292 -4.250 7.642 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.532 -7.769 7.271 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.091 -6.914 11.379 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.910 -8.569 9.723 1.00 0.00 H new ATOM 578 N ARG A 34 -0.095 -2.431 5.806 1.00 0.00 N ATOM 579 CA ARG A 34 -0.588 -1.073 5.972 1.00 0.00 C ATOM 580 C ARG A 34 -1.790 -0.872 5.069 1.00 0.00 C ATOM 581 O ARG A 34 -2.807 -0.314 5.480 1.00 0.00 O ATOM 582 CB ARG A 34 0.503 -0.048 5.655 1.00 0.00 C ATOM 583 CG ARG A 34 1.436 0.219 6.827 1.00 0.00 C ATOM 584 CD ARG A 34 2.894 0.016 6.445 1.00 0.00 C ATOM 585 NE ARG A 34 3.801 0.735 7.335 1.00 0.00 N ATOM 586 CZ ARG A 34 4.009 0.404 8.608 1.00 0.00 C ATOM 587 NH1 ARG A 34 3.385 -0.639 9.141 1.00 0.00 N ATOM 588 NH2 ARG A 34 4.848 1.117 9.348 1.00 0.00 N ATOM 0 H ARG A 34 0.732 -2.516 5.215 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.882 -0.924 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.089 -0.402 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.035 0.888 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.292 1.240 7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.181 -0.444 7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.130 -1.048 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.050 0.353 5.420 1.00 0.00 H new ATOM 0 HE ARG A 34 4.305 1.538 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.742 -1.192 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.549 -0.887 10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.333 1.917 8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.008 0.865 10.323 1.00 0.00 H new ATOM 602 N VAL A 35 -1.676 -1.374 3.843 1.00 0.00 N ATOM 603 CA VAL A 35 -2.771 -1.291 2.884 1.00 0.00 C ATOM 604 C VAL A 35 -4.023 -1.914 3.493 1.00 0.00 C ATOM 605 O VAL A 35 -5.099 -1.318 3.481 1.00 0.00 O ATOM 606 CB VAL A 35 -2.421 -2.017 1.566 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.678 -2.377 0.783 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.492 -1.163 0.717 1.00 0.00 C ATOM 0 H VAL A 35 -0.840 -1.841 3.492 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.947 -0.240 2.655 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.907 -2.944 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.399 -2.887 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.306 -3.034 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.230 -1.468 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.256 -1.690 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.981 -0.218 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.572 -0.968 1.268 1.00 0.00 H new ATOM 618 N LEU A 36 -3.859 -3.116 4.044 1.00 0.00 N ATOM 619 CA LEU A 36 -4.963 -3.826 4.683 1.00 0.00 C ATOM 620 C LEU A 36 -5.662 -2.917 5.684 1.00 0.00 C ATOM 621 O LEU A 36 -6.888 -2.845 5.727 1.00 0.00 O ATOM 622 CB LEU A 36 -4.449 -5.076 5.408 1.00 0.00 C ATOM 623 CG LEU A 36 -4.091 -6.267 4.516 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.931 -7.526 5.352 1.00 0.00 C ATOM 625 CD2 LEU A 36 -5.148 -6.476 3.447 1.00 0.00 C ATOM 0 H LEU A 36 -2.971 -3.618 4.060 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.669 -4.126 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.566 -4.800 5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.208 -5.397 6.121 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.143 -6.051 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.677 -8.364 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.136 -7.379 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.866 -7.740 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.873 -7.328 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.111 -6.668 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.220 -5.582 2.827 1.00 0.00 H new ATOM 637 N GLY A 37 -4.860 -2.223 6.486 1.00 0.00 N ATOM 638 CA GLY A 37 -5.401 -1.320 7.484 1.00 0.00 C ATOM 639 C GLY A 37 -6.303 -0.263 6.877 1.00 0.00 C ATOM 640 O GLY A 37 -7.225 0.227 7.529 1.00 0.00 O ATOM 0 H GLY A 37 -3.841 -2.271 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.962 -1.893 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.581 -0.834 8.013 1.00 0.00 H new ATOM 644 N LEU A 38 -6.038 0.083 5.623 1.00 0.00 N ATOM 645 CA LEU A 38 -6.834 1.079 4.916 1.00 0.00 C ATOM 646 C LEU A 38 -8.160 0.468 4.487 1.00 0.00 C ATOM 647 O LEU A 38 -9.189 1.144 4.439 1.00 0.00 O ATOM 648 CB LEU A 38 -6.072 1.598 3.697 1.00 0.00 C ATOM 649 CG LEU A 38 -4.608 1.962 3.952 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.865 2.104 2.636 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.501 3.244 4.765 1.00 0.00 C ATOM 0 H LEU A 38 -5.275 -0.313 5.073 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.029 1.917 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.111 0.840 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.588 2.479 3.314 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.150 1.157 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.825 2.363 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.908 1.161 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.329 2.890 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.451 3.482 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.975 4.061 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.000 3.109 5.724 1.00 0.00 H new ATOM 663 N ILE A 39 -8.125 -0.827 4.196 1.00 0.00 N ATOM 664 CA ILE A 39 -9.310 -1.562 3.792 1.00 0.00 C ATOM 665 C ILE A 39 -10.019 -2.125 5.023 1.00 0.00 C ATOM 666 O ILE A 39 -11.168 -2.561 4.951 1.00 0.00 O ATOM 667 CB ILE A 39 -8.954 -2.707 2.801 1.00 0.00 C ATOM 668 CG1 ILE A 39 -9.062 -4.086 3.464 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.553 -2.511 2.243 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.577 -5.223 2.583 1.00 0.00 C ATOM 0 H ILE A 39 -7.277 -1.392 4.234 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.979 -0.873 3.277 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.676 -2.667 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.484 -4.082 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.101 -4.268 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.320 -3.321 1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.501 -1.558 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.832 -2.513 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.683 -6.167 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.171 -5.254 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.529 -5.065 2.329 1.00 0.00 H new ATOM 682 N LYS A 40 -9.311 -2.114 6.151 1.00 0.00 N ATOM 683 CA LYS A 40 -9.852 -2.624 7.409 1.00 0.00 C ATOM 684 C LYS A 40 -11.169 -1.937 7.780 1.00 0.00 C ATOM 685 O LYS A 40 -12.208 -2.590 7.868 1.00 0.00 O ATOM 686 CB LYS A 40 -8.836 -2.442 8.542 1.00 0.00 C ATOM 687 CG LYS A 40 -7.818 -3.570 8.645 1.00 0.00 C ATOM 688 CD LYS A 40 -8.489 -4.932 8.702 1.00 0.00 C ATOM 689 CE LYS A 40 -7.603 -5.963 9.382 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.846 -6.024 10.850 1.00 0.00 N ATOM 0 H LYS A 40 -8.358 -1.756 6.219 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.052 -3.686 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.307 -1.501 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.372 -2.362 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.145 -3.532 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.207 -3.428 9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.433 -4.851 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.726 -5.264 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.785 -6.944 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.557 -5.720 9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.222 -6.739 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.648 -5.095 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.838 -6.281 11.027 1.00 0.00 H new ATOM 704 N PRO A 41 -11.149 -0.609 8.010 1.00 0.00 N ATOM 705 CA PRO A 41 -12.355 0.140 8.378 1.00 0.00 C ATOM 706 C PRO A 41 -13.473 -0.038 7.357 1.00 0.00 C ATOM 707 O PRO A 41 -14.648 -0.134 7.718 1.00 0.00 O ATOM 708 CB PRO A 41 -11.890 1.605 8.431 1.00 0.00 C ATOM 709 CG PRO A 41 -10.561 1.628 7.751 1.00 0.00 C ATOM 710 CD PRO A 41 -9.967 0.260 7.933 1.00 0.00 C ATOM 0 HA PRO A 41 -12.772 -0.207 9.323 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.600 2.260 7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.810 1.954 9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.670 1.866 6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.916 2.392 8.185 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.320 -0.013 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.363 0.200 8.838 1.00 0.00 H new ATOM 718 N LEU A 42 -13.105 -0.099 6.084 1.00 0.00 N ATOM 719 CA LEU A 42 -14.089 -0.285 5.028 1.00 0.00 C ATOM 720 C LEU A 42 -14.804 -1.613 5.211 1.00 0.00 C ATOM 721 O LEU A 42 -16.002 -1.724 4.955 1.00 0.00 O ATOM 722 CB LEU A 42 -13.432 -0.248 3.654 1.00 0.00 C ATOM 723 CG LEU A 42 -12.462 0.906 3.422 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.601 0.614 2.208 1.00 0.00 C ATOM 725 CD2 LEU A 42 -13.218 2.216 3.249 1.00 0.00 C ATOM 0 H LEU A 42 -12.141 -0.023 5.760 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.809 0.531 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.898 -1.186 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.215 -0.200 2.897 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.816 1.007 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.909 1.441 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.037 -0.304 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.237 0.495 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.508 3.027 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.887 2.140 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.801 2.421 4.147 1.00 0.00 H new ATOM 737 N GLU A 43 -14.062 -2.618 5.666 1.00 0.00 N ATOM 738 CA GLU A 43 -14.635 -3.936 5.892 1.00 0.00 C ATOM 739 C GLU A 43 -15.868 -3.823 6.781 1.00 0.00 C ATOM 740 O GLU A 43 -16.818 -4.591 6.651 1.00 0.00 O ATOM 741 CB GLU A 43 -13.607 -4.872 6.530 1.00 0.00 C ATOM 742 CG GLU A 43 -12.366 -5.081 5.678 1.00 0.00 C ATOM 743 CD GLU A 43 -11.935 -6.534 5.621 1.00 0.00 C ATOM 744 OE1 GLU A 43 -12.099 -7.242 6.637 1.00 0.00 O ATOM 745 OE2 GLU A 43 -11.434 -6.963 4.560 1.00 0.00 O ATOM 0 H GLU A 43 -13.068 -2.544 5.884 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.928 -4.355 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.310 -4.467 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.075 -5.838 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.560 -4.724 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.550 -4.479 6.078 1.00 0.00 H new ATOM 752 N MET A 44 -15.851 -2.843 7.678 1.00 0.00 N ATOM 753 CA MET A 44 -16.975 -2.612 8.574 1.00 0.00 C ATOM 754 C MET A 44 -18.059 -1.803 7.866 1.00 0.00 C ATOM 755 O MET A 44 -19.227 -1.837 8.254 1.00 0.00 O ATOM 756 CB MET A 44 -16.508 -1.876 9.830 1.00 0.00 C ATOM 757 CG MET A 44 -15.438 -2.622 10.610 1.00 0.00 C ATOM 758 SD MET A 44 -14.808 -1.674 12.008 1.00 0.00 S ATOM 759 CE MET A 44 -13.043 -1.759 11.708 1.00 0.00 C ATOM 0 H MET A 44 -15.071 -2.197 7.803 1.00 0.00 H new ATOM 0 HA MET A 44 -17.391 -3.577 8.865 1.00 0.00 H new ATOM 0 HB2 MET A 44 -16.122 -0.897 9.545 1.00 0.00 H new ATOM 0 HB3 MET A 44 -17.366 -1.704 10.480 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.848 -3.565 10.971 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.613 -2.869 9.942 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.584 -2.435 12.429 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.863 -2.128 10.698 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.608 -0.765 11.814 1.00 0.00 H new ATOM 769 N LEU A 45 -17.660 -1.069 6.830 1.00 0.00 N ATOM 770 CA LEU A 45 -18.590 -0.242 6.070 1.00 0.00 C ATOM 771 C LEU A 45 -19.205 -1.001 4.894 1.00 0.00 C ATOM 772 O LEU A 45 -20.425 -1.136 4.805 1.00 0.00 O ATOM 773 CB LEU A 45 -17.872 0.999 5.540 1.00 0.00 C ATOM 774 CG LEU A 45 -17.814 2.182 6.504 1.00 0.00 C ATOM 775 CD1 LEU A 45 -17.198 1.762 7.830 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.025 3.323 5.883 1.00 0.00 C ATOM 0 H LEU A 45 -16.696 -1.031 6.498 1.00 0.00 H new ATOM 0 HA LEU A 45 -19.394 0.045 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.853 0.721 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.368 1.322 4.624 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.830 2.526 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.165 2.618 8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -17.801 0.972 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.186 1.395 7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.990 4.162 6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.011 2.988 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.508 3.639 4.958 1.00 0.00 H new ATOM 788 N GLN A 46 -18.361 -1.468 3.975 1.00 0.00 N ATOM 789 CA GLN A 46 -18.840 -2.177 2.792 1.00 0.00 C ATOM 790 C GLN A 46 -19.235 -3.626 3.089 1.00 0.00 C ATOM 791 O GLN A 46 -20.304 -4.075 2.677 1.00 0.00 O ATOM 792 CB GLN A 46 -17.776 -2.138 1.693 1.00 0.00 C ATOM 793 CG GLN A 46 -16.517 -2.921 2.026 1.00 0.00 C ATOM 794 CD GLN A 46 -16.604 -4.373 1.598 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.281 -4.707 0.626 1.00 0.00 O ATOM 796 NE2 GLN A 46 -15.917 -5.247 2.325 1.00 0.00 N ATOM 0 H GLN A 46 -17.347 -1.368 4.027 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.741 -1.664 2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.205 -2.533 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.506 -1.100 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.662 -2.453 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.337 -2.873 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.368 -4.927 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.938 -6.238 2.085 1.00 0.00 H new ATOM 805 N ASP A 47 -18.373 -4.359 3.786 1.00 0.00 N ATOM 806 CA ASP A 47 -18.653 -5.757 4.104 1.00 0.00 C ATOM 807 C ASP A 47 -19.923 -5.893 4.939 1.00 0.00 C ATOM 808 O ASP A 47 -20.906 -6.488 4.496 1.00 0.00 O ATOM 809 CB ASP A 47 -17.470 -6.390 4.838 1.00 0.00 C ATOM 810 CG ASP A 47 -17.113 -7.757 4.288 1.00 0.00 C ATOM 811 OD1 ASP A 47 -18.042 -8.544 4.008 1.00 0.00 O ATOM 812 OD2 ASP A 47 -15.907 -8.041 4.137 1.00 0.00 O ATOM 0 H ASP A 47 -17.481 -4.013 4.140 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.808 -6.285 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.604 -5.733 4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.709 -6.479 5.898 1.00 0.00 H new ATOM 928 N SER A 55 -20.387 8.160 -4.102 1.00 0.00 N ATOM 929 CA SER A 55 -20.338 9.555 -4.526 1.00 0.00 C ATOM 930 C SER A 55 -19.266 9.766 -5.591 1.00 0.00 C ATOM 931 O SER A 55 -18.339 8.965 -5.719 1.00 0.00 O ATOM 932 CB SER A 55 -20.067 10.465 -3.326 1.00 0.00 C ATOM 933 OG SER A 55 -20.797 11.675 -3.427 1.00 0.00 O ATOM 0 HA SER A 55 -21.306 9.810 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.339 9.949 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.001 10.684 -3.265 1.00 0.00 H new ATOM 0 HG SER A 55 -21.018 12.000 -2.529 1.00 0.00 H new ATOM 939 N GLU A 56 -19.398 10.848 -6.351 1.00 0.00 N ATOM 940 CA GLU A 56 -18.439 11.164 -7.404 1.00 0.00 C ATOM 941 C GLU A 56 -17.042 11.360 -6.824 1.00 0.00 C ATOM 942 O GLU A 56 -16.048 10.956 -7.426 1.00 0.00 O ATOM 943 CB GLU A 56 -18.872 12.422 -8.158 1.00 0.00 C ATOM 944 CG GLU A 56 -18.356 12.481 -9.586 1.00 0.00 C ATOM 945 CD GLU A 56 -18.696 13.789 -10.276 1.00 0.00 C ATOM 946 OE1 GLU A 56 -17.939 14.766 -10.103 1.00 0.00 O ATOM 947 OE2 GLU A 56 -19.722 13.834 -10.989 1.00 0.00 O ATOM 0 H GLU A 56 -20.159 11.521 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.411 10.325 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.961 12.471 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.520 13.300 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.274 12.346 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.779 11.653 -10.156 1.00 0.00 H new ATOM 954 N LYS A 57 -16.975 11.982 -5.652 1.00 0.00 N ATOM 955 CA LYS A 57 -15.700 12.228 -4.990 1.00 0.00 C ATOM 956 C LYS A 57 -15.182 10.959 -4.325 1.00 0.00 C ATOM 957 O LYS A 57 -13.999 10.634 -4.422 1.00 0.00 O ATOM 958 CB LYS A 57 -15.845 13.341 -3.951 1.00 0.00 C ATOM 959 CG LYS A 57 -16.534 14.586 -4.486 1.00 0.00 C ATOM 960 CD LYS A 57 -16.681 15.647 -3.408 1.00 0.00 C ATOM 961 CE LYS A 57 -15.509 16.615 -3.415 1.00 0.00 C ATOM 962 NZ LYS A 57 -15.582 17.583 -2.285 1.00 0.00 N ATOM 0 H LYS A 57 -17.789 12.325 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.980 12.541 -5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.410 12.961 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.856 13.613 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.961 14.990 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.518 14.321 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.609 16.197 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.752 15.168 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.576 16.055 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.493 17.159 -4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.765 18.226 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.461 18.135 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.571 17.065 -1.383 1.00 0.00 H new ATOM 976 N LEU A 58 -16.077 10.243 -3.652 1.00 0.00 N ATOM 977 CA LEU A 58 -15.708 9.007 -2.974 1.00 0.00 C ATOM 978 C LEU A 58 -15.179 7.984 -3.971 1.00 0.00 C ATOM 979 O LEU A 58 -14.126 7.381 -3.758 1.00 0.00 O ATOM 980 CB LEU A 58 -16.911 8.431 -2.222 1.00 0.00 C ATOM 981 CG LEU A 58 -16.656 7.100 -1.512 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.404 7.183 -0.651 1.00 0.00 C ATOM 983 CD2 LEU A 58 -17.860 6.705 -0.670 1.00 0.00 C ATOM 0 H LEU A 58 -17.061 10.497 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.919 9.235 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.242 9.161 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.731 8.297 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.500 6.332 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.240 6.227 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.545 7.418 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.529 7.964 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -17.660 5.756 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.049 7.474 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -18.735 6.601 -1.312 1.00 0.00 H new ATOM 995 N THR A 59 -15.911 7.794 -5.065 1.00 0.00 N ATOM 996 CA THR A 59 -15.506 6.848 -6.097 1.00 0.00 C ATOM 997 C THR A 59 -14.146 7.233 -6.670 1.00 0.00 C ATOM 998 O THR A 59 -13.311 6.372 -6.940 1.00 0.00 O ATOM 999 CB THR A 59 -16.554 6.793 -7.213 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.353 5.655 -8.032 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.546 8.011 -8.112 1.00 0.00 C ATOM 0 H THR A 59 -16.786 8.282 -5.258 1.00 0.00 H new ATOM 0 HA THR A 59 -15.426 5.860 -5.645 1.00 0.00 H new ATOM 0 HB THR A 59 -17.515 6.750 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.032 5.636 -8.738 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.313 7.903 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 59 -16.749 8.903 -7.519 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.570 8.106 -8.587 1.00 0.00 H new ATOM 1009 N THR A 60 -13.929 8.534 -6.846 1.00 0.00 N ATOM 1010 CA THR A 60 -12.665 9.031 -7.375 1.00 0.00 C ATOM 1011 C THR A 60 -11.522 8.661 -6.435 1.00 0.00 C ATOM 1012 O THR A 60 -10.415 8.348 -6.875 1.00 0.00 O ATOM 1013 CB THR A 60 -12.737 10.550 -7.593 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.309 10.887 -8.900 1.00 0.00 O ATOM 1015 CG2 THR A 60 -11.901 11.356 -6.620 1.00 0.00 C ATOM 0 H THR A 60 -14.612 9.261 -6.630 1.00 0.00 H new ATOM 0 HA THR A 60 -12.475 8.563 -8.341 1.00 0.00 H new ATOM 0 HB THR A 60 -13.785 10.804 -7.432 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.363 11.858 -9.022 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.007 12.418 -6.842 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.240 11.162 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.854 11.068 -6.715 1.00 0.00 H new ATOM 1023 N ALA A 61 -11.809 8.679 -5.138 1.00 0.00 N ATOM 1024 CA ALA A 61 -10.818 8.322 -4.134 1.00 0.00 C ATOM 1025 C ALA A 61 -10.557 6.831 -4.199 1.00 0.00 C ATOM 1026 O ALA A 61 -9.421 6.392 -4.377 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.291 8.718 -2.744 1.00 0.00 C ATOM 0 H ALA A 61 -12.720 8.937 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.893 8.862 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.534 8.442 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.455 9.795 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.223 8.202 -2.516 1.00 0.00 H new ATOM 1033 N MET A 62 -11.631 6.055 -4.090 1.00 0.00 N ATOM 1034 CA MET A 62 -11.534 4.612 -4.174 1.00 0.00 C ATOM 1035 C MET A 62 -10.927 4.232 -5.516 1.00 0.00 C ATOM 1036 O MET A 62 -10.207 3.241 -5.629 1.00 0.00 O ATOM 1037 CB MET A 62 -12.914 3.980 -4.009 1.00 0.00 C ATOM 1038 CG MET A 62 -13.612 4.379 -2.718 1.00 0.00 C ATOM 1039 SD MET A 62 -15.363 3.949 -2.711 1.00 0.00 S ATOM 1040 CE MET A 62 -15.321 2.369 -3.550 1.00 0.00 C ATOM 0 H MET A 62 -12.577 6.407 -3.943 1.00 0.00 H new ATOM 0 HA MET A 62 -10.895 4.240 -3.373 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.540 4.266 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 62 -12.814 2.895 -4.039 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.119 3.891 -1.877 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.506 5.454 -2.569 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.213 1.797 -3.294 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.290 2.530 -4.628 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.434 1.816 -3.240 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.195 5.054 -6.532 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.639 4.822 -7.855 1.00 0.00 C ATOM 1052 C ASN A 63 -9.133 4.973 -7.777 1.00 0.00 C ATOM 1053 O ASN A 63 -8.380 4.093 -8.198 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.215 5.810 -8.872 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.510 5.322 -9.491 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.604 4.183 -9.945 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.519 6.188 -9.511 1.00 0.00 N ATOM 0 H ASN A 63 -11.790 5.879 -6.460 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.900 3.817 -8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.389 6.769 -8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.482 5.983 -9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.416 5.917 -9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.396 7.123 -9.123 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.702 6.082 -7.187 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.287 6.339 -6.992 1.00 0.00 C ATOM 1066 C ARG A 64 -6.713 5.241 -6.110 1.00 0.00 C ATOM 1067 O ARG A 64 -5.584 4.800 -6.293 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.083 7.703 -6.328 1.00 0.00 C ATOM 1069 CG ARG A 64 -6.394 8.722 -7.218 1.00 0.00 C ATOM 1070 CD ARG A 64 -7.167 10.032 -7.267 1.00 0.00 C ATOM 1071 NE ARG A 64 -7.041 10.692 -8.565 1.00 0.00 N ATOM 1072 CZ ARG A 64 -7.254 11.992 -8.760 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -7.605 12.774 -7.746 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -7.116 12.511 -9.972 1.00 0.00 N ATOM 0 H ARG A 64 -9.316 6.817 -6.836 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.778 6.348 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.053 8.097 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.494 7.570 -5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.385 8.907 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.295 8.319 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.219 9.840 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.803 10.698 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.774 10.123 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.713 12.380 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.767 13.769 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.847 11.915 -10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.279 13.507 -10.122 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.531 4.805 -5.156 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.164 3.748 -4.224 1.00 0.00 C ATOM 1090 C PHE A 65 -6.909 2.450 -4.973 1.00 0.00 C ATOM 1091 O PHE A 65 -5.796 1.922 -4.972 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.307 3.560 -3.230 1.00 0.00 C ATOM 1093 CG PHE A 65 -7.938 2.912 -1.926 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.620 2.813 -1.492 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -8.943 2.415 -1.120 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.326 2.222 -0.278 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.655 1.831 0.093 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.346 1.731 0.516 1.00 0.00 C ATOM 0 H PHE A 65 -8.469 5.177 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.251 4.023 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.744 4.536 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.083 2.960 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.822 3.200 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.970 2.485 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.300 2.144 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.454 1.451 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.118 1.270 1.466 1.00 0.00 H new ATOM 1108 N LYS A 66 -7.952 1.951 -5.624 1.00 0.00 N ATOM 1109 CA LYS A 66 -7.863 0.726 -6.398 1.00 0.00 C ATOM 1110 C LYS A 66 -6.713 0.814 -7.398 1.00 0.00 C ATOM 1111 O LYS A 66 -6.045 -0.179 -7.685 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.210 0.483 -7.094 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.122 -0.152 -8.466 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.250 0.885 -9.574 1.00 0.00 C ATOM 1115 CE LYS A 66 -7.980 0.981 -10.403 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.264 0.919 -11.863 1.00 0.00 N ATOM 0 H LYS A 66 -8.876 2.383 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.652 -0.120 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.821 -0.154 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.731 1.436 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.171 -0.675 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.909 -0.898 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.088 0.625 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.474 1.858 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.466 1.914 -10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.306 0.169 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.372 0.988 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.732 0.018 -12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.887 1.708 -12.129 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.484 2.014 -7.911 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.409 2.247 -8.864 1.00 0.00 C ATOM 1132 C ALA A 67 -4.055 2.274 -8.160 1.00 0.00 C ATOM 1133 O ALA A 67 -3.122 1.573 -8.561 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.642 3.547 -9.620 1.00 0.00 C ATOM 0 H ALA A 67 -7.031 2.844 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.404 1.425 -9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.829 3.707 -10.329 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.588 3.490 -10.159 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.676 4.377 -8.914 1.00 0.00 H new ATOM 1140 N ALA A 68 -3.950 3.078 -7.103 1.00 0.00 N ATOM 1141 CA ALA A 68 -2.705 3.178 -6.349 1.00 0.00 C ATOM 1142 C ALA A 68 -2.276 1.802 -5.851 1.00 0.00 C ATOM 1143 O ALA A 68 -1.090 1.543 -5.660 1.00 0.00 O ATOM 1144 CB ALA A 68 -2.842 4.162 -5.189 1.00 0.00 C ATOM 0 H ALA A 68 -4.707 3.665 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.931 3.560 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.899 4.216 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.094 5.149 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.630 3.824 -4.516 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.252 0.917 -5.662 1.00 0.00 N ATOM 1151 CA LEU A 69 -2.972 -0.438 -5.211 1.00 0.00 C ATOM 1152 C LEU A 69 -2.204 -1.193 -6.282 1.00 0.00 C ATOM 1153 O LEU A 69 -1.123 -1.723 -6.027 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.271 -1.167 -4.886 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.821 -0.875 -3.497 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.335 -1.026 -3.475 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.167 -1.788 -2.473 1.00 0.00 C ATOM 0 H LEU A 69 -4.241 1.116 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.365 -0.388 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.023 -0.894 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.105 -2.240 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.586 0.157 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.707 -0.813 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.781 -0.328 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.603 -2.045 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.568 -1.570 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.374 -2.827 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.090 -1.622 -2.473 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.764 -1.221 -7.490 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.123 -1.891 -8.616 1.00 0.00 C ATOM 1171 C GLU A 70 -0.642 -1.541 -8.647 1.00 0.00 C ATOM 1172 O GLU A 70 0.196 -2.359 -9.021 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.791 -1.486 -9.932 1.00 0.00 C ATOM 1174 CG GLU A 70 -3.908 -2.421 -10.360 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.176 -2.366 -11.852 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -3.523 -3.123 -12.600 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -5.038 -1.566 -12.270 1.00 0.00 O ATOM 0 H GLU A 70 -3.660 -0.787 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.233 -2.969 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.192 -0.477 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.036 -1.452 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.650 -3.442 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.820 -2.162 -9.821 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.329 -0.320 -8.219 1.00 0.00 N ATOM 1185 CA GLU A 71 1.051 0.131 -8.162 1.00 0.00 C ATOM 1186 C GLU A 71 1.804 -0.687 -7.119 1.00 0.00 C ATOM 1187 O GLU A 71 2.866 -1.243 -7.398 1.00 0.00 O ATOM 1188 CB GLU A 71 1.118 1.619 -7.821 1.00 0.00 C ATOM 1189 CG GLU A 71 2.518 2.196 -7.913 1.00 0.00 C ATOM 1190 CD GLU A 71 2.919 2.535 -9.335 1.00 0.00 C ATOM 1191 OE1 GLU A 71 2.147 3.240 -10.018 1.00 0.00 O ATOM 1192 OE2 GLU A 71 4.005 2.095 -9.767 1.00 0.00 O ATOM 0 H GLU A 71 -1.013 0.370 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 71 1.514 -0.012 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.462 2.169 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.736 1.770 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.577 3.095 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.229 1.481 -7.500 1.00 0.00 H new ATOM 1199 N ALA A 72 1.226 -0.780 -5.920 1.00 0.00 N ATOM 1200 CA ALA A 72 1.825 -1.560 -4.847 1.00 0.00 C ATOM 1201 C ALA A 72 1.890 -3.025 -5.251 1.00 0.00 C ATOM 1202 O ALA A 72 2.947 -3.652 -5.193 1.00 0.00 O ATOM 1203 CB ALA A 72 1.031 -1.395 -3.559 1.00 0.00 C ATOM 0 H ALA A 72 0.347 -0.325 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 72 2.837 -1.197 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.494 -1.985 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.022 -0.344 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.008 -1.737 -3.716 1.00 0.00 H new ATOM 1209 N ASN A 73 0.748 -3.563 -5.681 1.00 0.00 N ATOM 1210 CA ASN A 73 0.678 -4.951 -6.119 1.00 0.00 C ATOM 1211 C ASN A 73 1.663 -5.191 -7.256 1.00 0.00 C ATOM 1212 O ASN A 73 2.357 -6.206 -7.291 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.739 -5.299 -6.579 1.00 0.00 C ATOM 1214 CG ASN A 73 -1.014 -6.789 -6.524 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.358 -7.526 -5.787 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.989 -7.240 -7.305 1.00 0.00 N ATOM 0 H ASN A 73 -0.137 -3.058 -5.734 1.00 0.00 H new ATOM 0 HA ASN A 73 0.939 -5.591 -5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.461 -4.776 -5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.885 -4.943 -7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.220 -8.233 -7.310 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.507 -6.593 -7.900 1.00 0.00 H new ATOM 1223 N GLY A 74 1.726 -4.235 -8.178 1.00 0.00 N ATOM 1224 CA GLY A 74 2.640 -4.345 -9.296 1.00 0.00 C ATOM 1225 C GLY A 74 4.079 -4.233 -8.846 1.00 0.00 C ATOM 1226 O GLY A 74 4.962 -4.908 -9.376 1.00 0.00 O ATOM 0 H GLY A 74 1.160 -3.387 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.488 -5.300 -9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.423 -3.563 -10.024 1.00 0.00 H new ATOM 1230 N GLU A 75 4.309 -3.384 -7.849 1.00 0.00 N ATOM 1231 CA GLU A 75 5.644 -3.191 -7.303 1.00 0.00 C ATOM 1232 C GLU A 75 6.070 -4.430 -6.525 1.00 0.00 C ATOM 1233 O GLU A 75 7.204 -4.892 -6.641 1.00 0.00 O ATOM 1234 CB GLU A 75 5.679 -1.955 -6.397 1.00 0.00 C ATOM 1235 CG GLU A 75 5.700 -0.639 -7.158 1.00 0.00 C ATOM 1236 CD GLU A 75 7.099 -0.232 -7.579 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.689 -0.929 -8.431 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.604 0.785 -7.058 1.00 0.00 O ATOM 0 H GLU A 75 3.586 -2.819 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 75 6.341 -3.033 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.808 -1.971 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.560 -2.009 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.069 -0.725 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.270 0.144 -6.534 1.00 0.00 H new ATOM 1245 N ILE A 76 5.141 -4.970 -5.743 1.00 0.00 N ATOM 1246 CA ILE A 76 5.401 -6.164 -4.953 1.00 0.00 C ATOM 1247 C ILE A 76 5.500 -7.391 -5.856 1.00 0.00 C ATOM 1248 O ILE A 76 6.239 -8.331 -5.567 1.00 0.00 O ATOM 1249 CB ILE A 76 4.292 -6.393 -3.903 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.250 -5.225 -2.916 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.510 -7.709 -3.167 1.00 0.00 C ATOM 1252 CD1 ILE A 76 2.900 -5.039 -2.256 1.00 0.00 C ATOM 0 H ILE A 76 4.198 -4.596 -5.641 1.00 0.00 H new ATOM 0 HA ILE A 76 6.349 -6.014 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 76 3.333 -6.448 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.004 -5.384 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.519 -4.308 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.718 -7.850 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.494 -8.532 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.475 -7.687 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.944 -4.194 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.145 -4.848 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.637 -5.941 -1.704 1.00 0.00 H new ATOM 1264 N GLU A 77 4.748 -7.369 -6.951 1.00 0.00 N ATOM 1265 CA GLU A 77 4.750 -8.474 -7.899 1.00 0.00 C ATOM 1266 C GLU A 77 6.002 -8.436 -8.769 1.00 0.00 C ATOM 1267 O GLU A 77 6.603 -9.472 -9.055 1.00 0.00 O ATOM 1268 CB GLU A 77 3.498 -8.421 -8.780 1.00 0.00 C ATOM 1269 CG GLU A 77 3.465 -9.491 -9.859 1.00 0.00 C ATOM 1270 CD GLU A 77 2.383 -9.243 -10.892 1.00 0.00 C ATOM 1271 OE1 GLU A 77 2.070 -8.062 -11.152 1.00 0.00 O ATOM 1272 OE2 GLU A 77 1.849 -10.230 -11.441 1.00 0.00 O ATOM 0 H GLU A 77 4.130 -6.598 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 77 4.747 -9.407 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.616 -8.527 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.437 -7.440 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.434 -9.531 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.304 -10.464 -9.396 1.00 0.00 H new ATOM 1279 N LYS A 78 6.390 -7.236 -9.186 1.00 0.00 N ATOM 1280 CA LYS A 78 7.571 -7.064 -10.021 1.00 0.00 C ATOM 1281 C LYS A 78 8.849 -7.238 -9.207 1.00 0.00 C ATOM 1282 O LYS A 78 9.918 -7.488 -9.761 1.00 0.00 O ATOM 1283 CB LYS A 78 7.558 -5.684 -10.682 1.00 0.00 C ATOM 1284 CG LYS A 78 8.746 -5.435 -11.597 1.00 0.00 C ATOM 1285 CD LYS A 78 9.856 -4.689 -10.876 1.00 0.00 C ATOM 1286 CE LYS A 78 9.496 -3.227 -10.661 1.00 0.00 C ATOM 1287 NZ LYS A 78 9.600 -2.438 -11.920 1.00 0.00 N ATOM 0 H LYS A 78 5.904 -6.369 -8.959 1.00 0.00 H new ATOM 0 HA LYS A 78 7.550 -7.832 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.638 -5.575 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.542 -4.919 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.127 -6.387 -11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.424 -4.860 -12.465 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.049 -5.163 -9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.777 -4.757 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.480 -3.157 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.157 -2.797 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.480 -1.427 -11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.534 -2.593 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.859 -2.743 -12.583 1.00 0.00 H new ATOM 1301 N PHE A 79 8.735 -7.099 -7.888 1.00 0.00 N ATOM 1302 CA PHE A 79 9.885 -7.235 -7.007 1.00 0.00 C ATOM 1303 C PHE A 79 9.911 -8.601 -6.328 1.00 0.00 C ATOM 1304 O PHE A 79 10.573 -8.783 -5.307 1.00 0.00 O ATOM 1305 CB PHE A 79 9.867 -6.125 -5.958 1.00 0.00 C ATOM 1306 CG PHE A 79 10.367 -4.813 -6.485 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.534 -4.754 -7.226 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.668 -3.641 -6.248 1.00 0.00 C ATOM 1309 CE1 PHE A 79 11.997 -3.553 -7.719 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.127 -2.434 -6.741 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.294 -2.390 -7.477 1.00 0.00 C ATOM 0 H PHE A 79 7.858 -6.893 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 79 10.787 -7.149 -7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.849 -5.998 -5.589 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.479 -6.426 -5.108 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.089 -5.660 -7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.755 -3.671 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.910 -3.522 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.573 -1.526 -6.551 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.656 -1.448 -7.862 1.00 0.00 H new ATOM 1321 N SER A 80 9.192 -9.561 -6.902 1.00 0.00 N ATOM 1322 CA SER A 80 9.143 -10.908 -6.347 1.00 0.00 C ATOM 1323 C SER A 80 10.424 -11.671 -6.666 1.00 0.00 C ATOM 1324 O SER A 80 10.846 -12.541 -5.905 1.00 0.00 O ATOM 1325 CB SER A 80 7.932 -11.665 -6.896 1.00 0.00 C ATOM 1326 OG SER A 80 6.743 -10.910 -6.739 1.00 0.00 O ATOM 0 H SER A 80 8.637 -9.431 -7.748 1.00 0.00 H new ATOM 0 HA SER A 80 9.049 -10.827 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.087 -11.889 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.831 -12.619 -6.379 1.00 0.00 H new ATOM 0 HG SER A 80 6.526 -10.462 -7.583 1.00 0.00 H new ATOM 1332 N ASN A 81 11.041 -11.335 -7.795 1.00 0.00 N ATOM 1333 CA ASN A 81 12.276 -11.986 -8.213 1.00 0.00 C ATOM 1334 C ASN A 81 13.489 -11.156 -7.806 1.00 0.00 C ATOM 1335 O ASN A 81 13.527 -9.945 -8.024 1.00 0.00 O ATOM 1336 CB ASN A 81 12.276 -12.205 -9.726 1.00 0.00 C ATOM 1337 CG ASN A 81 12.920 -13.520 -10.120 1.00 0.00 C ATOM 1338 OD1 ASN A 81 12.800 -14.519 -9.412 1.00 0.00 O ATOM 1339 ND2 ASN A 81 13.611 -13.524 -11.255 1.00 0.00 N ATOM 0 H ASN A 81 10.705 -10.616 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 81 12.335 -12.954 -7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.250 -12.181 -10.094 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.807 -11.385 -10.209 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.068 -14.379 -11.571 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.684 -12.672 -11.811 1.00 0.00 H new ATOM 1346 N ARG A 82 14.479 -11.816 -7.213 1.00 0.00 N ATOM 1347 CA ARG A 82 15.696 -11.141 -6.771 1.00 0.00 C ATOM 1348 C ARG A 82 16.335 -10.356 -7.913 1.00 0.00 C ATOM 1349 O ARG A 82 16.981 -9.332 -7.691 1.00 0.00 O ATOM 1350 CB ARG A 82 16.693 -12.159 -6.209 1.00 0.00 C ATOM 1351 CG ARG A 82 17.305 -13.070 -7.264 1.00 0.00 C ATOM 1352 CD ARG A 82 16.344 -14.174 -7.675 1.00 0.00 C ATOM 1353 NE ARG A 82 17.046 -15.399 -8.054 1.00 0.00 N ATOM 1354 CZ ARG A 82 16.501 -16.373 -8.777 1.00 0.00 C ATOM 1355 NH1 ARG A 82 15.246 -16.272 -9.200 1.00 0.00 N ATOM 1356 NH2 ARG A 82 17.210 -17.452 -9.079 1.00 0.00 N ATOM 0 H ARG A 82 14.463 -12.819 -7.027 1.00 0.00 H new ATOM 0 HA ARG A 82 15.424 -10.437 -5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.493 -11.625 -5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.189 -12.772 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.579 -12.481 -8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.223 -13.512 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.663 -14.387 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.735 -13.832 -8.512 1.00 0.00 H new ATOM 0 HE ARG A 82 18.011 -15.513 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.696 -15.445 -8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.833 -17.022 -9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.174 -17.535 -8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.791 -18.199 -9.634 1.00 0.00 H new ATOM 1370 N SER A 83 16.151 -10.844 -9.137 1.00 0.00 N ATOM 1371 CA SER A 83 16.710 -10.187 -10.315 1.00 0.00 C ATOM 1372 C SER A 83 16.266 -8.730 -10.390 1.00 0.00 C ATOM 1373 O SER A 83 17.002 -7.869 -10.870 1.00 0.00 O ATOM 1374 CB SER A 83 16.288 -10.928 -11.585 1.00 0.00 C ATOM 1375 OG SER A 83 17.359 -11.006 -12.510 1.00 0.00 O ATOM 0 H SER A 83 15.620 -11.691 -9.339 1.00 0.00 H new ATOM 0 HA SER A 83 17.797 -10.211 -10.232 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.951 -11.932 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.443 -10.416 -12.045 1.00 0.00 H new ATOM 0 HG SER A 83 17.064 -11.486 -13.312 1.00 0.00 H new ATOM 1381 N ASN A 84 15.056 -8.463 -9.909 1.00 0.00 N ATOM 1382 CA ASN A 84 14.512 -7.110 -9.918 1.00 0.00 C ATOM 1383 C ASN A 84 14.926 -6.353 -8.660 1.00 0.00 C ATOM 1384 O ASN A 84 15.288 -5.179 -8.721 1.00 0.00 O ATOM 1385 CB ASN A 84 12.987 -7.152 -10.024 1.00 0.00 C ATOM 1386 CG ASN A 84 12.511 -7.248 -11.460 1.00 0.00 C ATOM 1387 OD1 ASN A 84 12.957 -6.495 -12.326 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.598 -8.177 -11.720 1.00 0.00 N ATOM 0 H ASN A 84 14.434 -9.165 -9.508 1.00 0.00 H new ATOM 0 HA ASN A 84 14.914 -6.587 -10.786 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.610 -8.006 -9.461 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.569 -6.257 -9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.239 -8.288 -12.668 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.256 -8.780 -10.971 1.00 0.00 H new ATOM 1395 N ILE A 85 14.870 -7.037 -7.522 1.00 0.00 N ATOM 1396 CA ILE A 85 15.237 -6.432 -6.248 1.00 0.00 C ATOM 1397 C ILE A 85 16.702 -6.005 -6.250 1.00 0.00 C ATOM 1398 O ILE A 85 17.011 -4.816 -6.194 1.00 0.00 O ATOM 1399 CB ILE A 85 14.990 -7.411 -5.082 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.487 -7.665 -4.921 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.597 -6.887 -3.784 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.737 -6.526 -4.258 1.00 0.00 C ATOM 0 H ILE A 85 14.574 -8.011 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 85 14.610 -5.551 -6.111 1.00 0.00 H new ATOM 0 HB ILE A 85 15.481 -8.356 -5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.053 -7.849 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.343 -8.572 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.407 -7.598 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.672 -6.761 -3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.146 -5.927 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.680 -6.782 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.143 -6.355 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.848 -5.621 -4.855 1.00 0.00 H new ATOM 1414 N CYS A 86 17.599 -6.984 -6.324 1.00 0.00 N ATOM 1415 CA CYS A 86 19.033 -6.711 -6.339 1.00 0.00 C ATOM 1416 C CYS A 86 19.368 -5.617 -7.348 1.00 0.00 C ATOM 1417 O CYS A 86 20.348 -4.889 -7.187 1.00 0.00 O ATOM 1418 CB CYS A 86 19.812 -7.984 -6.673 1.00 0.00 C ATOM 1419 SG CYS A 86 19.906 -9.171 -5.312 1.00 0.00 S ATOM 0 H CYS A 86 17.358 -7.974 -6.375 1.00 0.00 H new ATOM 0 HA CYS A 86 19.322 -6.366 -5.346 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.346 -8.468 -7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 86 20.824 -7.710 -6.972 1.00 0.00 H new ATOM 0 HG CYS A 86 20.582 -10.214 -5.692 1.00 0.00 H new ATOM 1425 N ARG A 87 18.547 -5.507 -8.387 1.00 0.00 N ATOM 1426 CA ARG A 87 18.754 -4.502 -9.419 1.00 0.00 C ATOM 1427 C ARG A 87 18.170 -3.157 -9.000 1.00 0.00 C ATOM 1428 O ARG A 87 18.804 -2.119 -9.173 1.00 0.00 O ATOM 1429 CB ARG A 87 18.126 -4.957 -10.737 1.00 0.00 C ATOM 1430 CG ARG A 87 19.098 -5.678 -11.654 1.00 0.00 C ATOM 1431 CD ARG A 87 19.873 -4.703 -12.526 1.00 0.00 C ATOM 1432 NE ARG A 87 21.246 -5.144 -12.755 1.00 0.00 N ATOM 1433 CZ ARG A 87 21.573 -6.197 -13.502 1.00 0.00 C ATOM 1434 NH1 ARG A 87 20.628 -6.917 -14.095 1.00 0.00 N ATOM 1435 NH2 ARG A 87 22.847 -6.530 -13.658 1.00 0.00 N ATOM 0 H ARG A 87 17.732 -6.102 -8.535 1.00 0.00 H new ATOM 0 HA ARG A 87 19.828 -4.380 -9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.285 -5.616 -10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 87 17.724 -4.088 -11.258 1.00 0.00 H new ATOM 0 HG2 ARG A 87 19.795 -6.266 -11.057 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.552 -6.378 -12.287 1.00 0.00 H new ATOM 0 HD2 ARG A 87 19.364 -4.590 -13.483 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.882 -3.721 -12.052 1.00 0.00 H new ATOM 0 HE ARG A 87 21.999 -4.614 -12.317 1.00 0.00 H new ATOM 0 HH11 ARG A 87 19.647 -6.664 -13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.884 -7.723 -14.666 1.00 0.00 H new ATOM 0 HH21 ARG A 87 23.577 -5.980 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 87 23.097 -7.337 -14.230 1.00 0.00 H new ATOM 1449 N PHE A 88 16.959 -3.177 -8.448 1.00 0.00 N ATOM 1450 CA PHE A 88 16.306 -1.949 -8.015 1.00 0.00 C ATOM 1451 C PHE A 88 17.088 -1.291 -6.878 1.00 0.00 C ATOM 1452 O PHE A 88 17.031 -0.076 -6.700 1.00 0.00 O ATOM 1453 CB PHE A 88 14.854 -2.243 -7.596 1.00 0.00 C ATOM 1454 CG PHE A 88 14.492 -1.786 -6.208 1.00 0.00 C ATOM 1455 CD1 PHE A 88 14.457 -0.437 -5.893 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.197 -2.708 -5.220 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.137 -0.018 -4.616 1.00 0.00 C ATOM 1458 CE2 PHE A 88 13.876 -2.296 -3.944 1.00 0.00 C ATOM 1459 CZ PHE A 88 13.848 -0.951 -3.639 1.00 0.00 C ATOM 0 H PHE A 88 16.415 -4.025 -8.292 1.00 0.00 H new ATOM 0 HA PHE A 88 16.287 -1.248 -8.850 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.181 -1.764 -8.308 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.681 -3.317 -7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.682 0.295 -6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.218 -3.763 -5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.113 1.036 -4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.646 -3.027 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.601 -0.628 -2.639 1.00 0.00 H new ATOM 1469 N LEU A 89 17.814 -2.098 -6.111 1.00 0.00 N ATOM 1470 CA LEU A 89 18.596 -1.579 -4.995 1.00 0.00 C ATOM 1471 C LEU A 89 19.857 -0.874 -5.488 1.00 0.00 C ATOM 1472 O LEU A 89 20.023 0.329 -5.293 1.00 0.00 O ATOM 1473 CB LEU A 89 18.979 -2.708 -4.034 1.00 0.00 C ATOM 1474 CG LEU A 89 17.812 -3.504 -3.436 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.278 -4.292 -2.221 1.00 0.00 C ATOM 1476 CD2 LEU A 89 16.657 -2.586 -3.061 1.00 0.00 C ATOM 0 H LEU A 89 17.877 -3.108 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 89 17.976 -0.855 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.634 -3.401 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.559 -2.281 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 89 17.456 -4.202 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.439 -4.852 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.066 -4.984 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.663 -3.605 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.844 -3.177 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.996 -1.858 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.303 -2.065 -3.950 1.00 0.00 H new ATOM 1488 N THR A 90 20.744 -1.633 -6.123 1.00 0.00 N ATOM 1489 CA THR A 90 21.993 -1.081 -6.638 1.00 0.00 C ATOM 1490 C THR A 90 21.724 -0.039 -7.718 1.00 0.00 C ATOM 1491 O THR A 90 22.485 0.917 -7.877 1.00 0.00 O ATOM 1492 CB THR A 90 22.875 -2.197 -7.199 1.00 0.00 C ATOM 1493 OG1 THR A 90 24.129 -1.685 -7.615 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.256 -2.913 -8.379 1.00 0.00 C ATOM 0 H THR A 90 20.622 -2.631 -6.294 1.00 0.00 H new ATOM 0 HA THR A 90 22.514 -0.596 -5.812 1.00 0.00 H new ATOM 0 HB THR A 90 22.992 -2.910 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.679 -2.415 -7.969 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.934 -3.692 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.311 -3.363 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.077 -2.200 -9.184 1.00 0.00 H new ATOM 1502 N ALA A 91 20.639 -0.230 -8.459 1.00 0.00 N ATOM 1503 CA ALA A 91 20.269 0.692 -9.526 1.00 0.00 C ATOM 1504 C ALA A 91 19.340 1.788 -9.015 1.00 0.00 C ATOM 1505 O ALA A 91 19.222 2.849 -9.627 1.00 0.00 O ATOM 1506 CB ALA A 91 19.607 -0.066 -10.665 1.00 0.00 C ATOM 0 H ALA A 91 19.999 -1.016 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 91 21.180 1.167 -9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.335 0.632 -11.457 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.300 -0.809 -11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 91 18.711 -0.565 -10.297 1.00 0.00 H new ATOM 1512 N SER A 92 18.673 1.524 -7.894 1.00 0.00 N ATOM 1513 CA SER A 92 17.750 2.490 -7.310 1.00 0.00 C ATOM 1514 C SER A 92 16.568 2.733 -8.246 1.00 0.00 C ATOM 1515 O SER A 92 16.374 3.844 -8.743 1.00 0.00 O ATOM 1516 CB SER A 92 18.469 3.808 -7.017 1.00 0.00 C ATOM 1517 OG SER A 92 18.902 3.865 -5.669 1.00 0.00 O ATOM 0 H SER A 92 18.755 0.651 -7.374 1.00 0.00 H new ATOM 0 HA SER A 92 17.374 2.081 -6.372 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.326 3.914 -7.682 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.801 4.644 -7.223 1.00 0.00 H new ATOM 0 HG SER A 92 19.613 4.534 -5.582 1.00 0.00 H new ATOM 1523 N GLN A 93 15.782 1.686 -8.487 1.00 0.00 N ATOM 1524 CA GLN A 93 14.621 1.788 -9.368 1.00 0.00 C ATOM 1525 C GLN A 93 13.749 2.976 -8.979 1.00 0.00 C ATOM 1526 O GLN A 93 13.435 3.826 -9.813 1.00 0.00 O ATOM 1527 CB GLN A 93 13.802 0.498 -9.319 1.00 0.00 C ATOM 1528 CG GLN A 93 12.589 0.512 -10.235 1.00 0.00 C ATOM 1529 CD GLN A 93 12.921 0.076 -11.648 1.00 0.00 C ATOM 1530 OE1 GLN A 93 13.776 -0.783 -11.861 1.00 0.00 O ATOM 1531 NE2 GLN A 93 12.243 0.669 -12.625 1.00 0.00 N ATOM 0 H GLN A 93 15.927 0.760 -8.086 1.00 0.00 H new ATOM 0 HA GLN A 93 14.979 1.941 -10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.443 -0.340 -9.592 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.471 0.326 -8.295 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.822 -0.146 -9.826 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.167 1.517 -10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.542 1.376 -12.403 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.423 0.417 -13.597 1.00 0.00 H new ATOM 1540 N ASP A 94 13.368 3.038 -7.707 1.00 0.00 N ATOM 1541 CA ASP A 94 12.544 4.129 -7.213 1.00 0.00 C ATOM 1542 C ASP A 94 13.072 4.642 -5.877 1.00 0.00 C ATOM 1543 O ASP A 94 12.373 5.355 -5.159 1.00 0.00 O ATOM 1544 CB ASP A 94 11.098 3.660 -7.056 1.00 0.00 C ATOM 1545 CG ASP A 94 10.270 3.904 -8.302 1.00 0.00 C ATOM 1546 OD1 ASP A 94 10.862 4.007 -9.397 1.00 0.00 O ATOM 1547 OD2 ASP A 94 9.030 3.993 -8.182 1.00 0.00 O ATOM 0 H ASP A 94 13.618 2.345 -7.002 1.00 0.00 H new ATOM 0 HA ASP A 94 12.582 4.944 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.088 2.596 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.641 4.178 -6.213 1.00 0.00 H new ATOM 1552 N LYS A 95 14.304 4.248 -5.539 1.00 0.00 N ATOM 1553 CA LYS A 95 14.932 4.639 -4.280 1.00 0.00 C ATOM 1554 C LYS A 95 14.309 3.886 -3.108 1.00 0.00 C ATOM 1555 O LYS A 95 14.863 3.870 -2.011 1.00 0.00 O ATOM 1556 CB LYS A 95 14.828 6.151 -4.055 1.00 0.00 C ATOM 1557 CG LYS A 95 15.865 6.953 -4.823 1.00 0.00 C ATOM 1558 CD LYS A 95 15.305 7.480 -6.132 1.00 0.00 C ATOM 1559 CE LYS A 95 16.316 8.349 -6.861 1.00 0.00 C ATOM 1560 NZ LYS A 95 16.340 9.740 -6.329 1.00 0.00 N ATOM 0 H LYS A 95 14.887 3.654 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 95 15.988 4.376 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.833 6.486 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.935 6.360 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.207 7.787 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.734 6.327 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.017 6.643 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.402 8.058 -5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.308 7.908 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.076 8.371 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.042 10.300 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.400 10.171 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.594 9.722 -5.321 1.00 0.00 H new ATOM 1574 N ILE A 96 13.157 3.258 -3.351 1.00 0.00 N ATOM 1575 CA ILE A 96 12.456 2.502 -2.326 1.00 0.00 C ATOM 1576 C ILE A 96 11.510 1.485 -2.958 1.00 0.00 C ATOM 1577 O ILE A 96 10.815 1.783 -3.929 1.00 0.00 O ATOM 1578 CB ILE A 96 11.640 3.425 -1.405 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.517 4.557 -0.861 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.000 2.626 -0.278 1.00 0.00 C ATOM 1581 CD1 ILE A 96 11.844 5.399 0.196 1.00 0.00 C ATOM 0 H ILE A 96 12.691 3.262 -4.258 1.00 0.00 H new ATOM 0 HA ILE A 96 13.214 1.987 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 96 10.838 3.878 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.429 4.129 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.816 5.201 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.427 3.296 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.336 1.871 -0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.778 2.139 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 96 12.529 6.178 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.948 5.858 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.569 4.769 1.042 1.00 0.00 H new ATOM 1593 N LEU A 97 11.498 0.287 -2.391 1.00 0.00 N ATOM 1594 CA LEU A 97 10.653 -0.811 -2.865 1.00 0.00 C ATOM 1595 C LEU A 97 9.276 -0.320 -3.341 1.00 0.00 C ATOM 1596 O LEU A 97 8.850 -0.643 -4.450 1.00 0.00 O ATOM 1597 CB LEU A 97 10.489 -1.848 -1.747 1.00 0.00 C ATOM 1598 CG LEU A 97 10.243 -3.291 -2.200 1.00 0.00 C ATOM 1599 CD1 LEU A 97 9.144 -3.338 -3.238 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.516 -3.921 -2.747 1.00 0.00 C ATOM 0 H LEU A 97 12.075 0.044 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 97 11.145 -1.266 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.386 -1.830 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.658 -1.541 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 97 9.929 -3.867 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.982 -4.370 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.224 -2.938 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.434 -2.740 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.310 -4.944 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.869 -3.344 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.282 -3.926 -1.971 1.00 0.00 H new ATOM 1612 N PHE A 98 8.580 0.455 -2.505 1.00 0.00 N ATOM 1613 CA PHE A 98 7.254 0.963 -2.872 1.00 0.00 C ATOM 1614 C PHE A 98 7.055 2.421 -2.452 1.00 0.00 C ATOM 1615 O PHE A 98 6.010 2.782 -1.910 1.00 0.00 O ATOM 1616 CB PHE A 98 6.161 0.088 -2.259 1.00 0.00 C ATOM 1617 CG PHE A 98 6.041 0.218 -0.770 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.084 -0.159 0.055 1.00 0.00 C ATOM 1619 CD2 PHE A 98 4.881 0.705 -0.200 1.00 0.00 C ATOM 1620 CE1 PHE A 98 6.972 -0.053 1.428 1.00 0.00 C ATOM 1621 CE2 PHE A 98 4.760 0.815 1.172 1.00 0.00 C ATOM 1622 CZ PHE A 98 5.807 0.434 1.988 1.00 0.00 C ATOM 0 H PHE A 98 8.906 0.742 -1.582 1.00 0.00 H new ATOM 0 HA PHE A 98 7.185 0.923 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.205 0.346 -2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.362 -0.954 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.997 -0.541 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.059 1.003 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.794 -0.350 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.848 1.198 1.606 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.715 0.517 3.061 1.00 0.00 H new ATOM 1632 N LYS A 99 8.053 3.257 -2.716 1.00 0.00 N ATOM 1633 CA LYS A 99 7.978 4.674 -2.379 1.00 0.00 C ATOM 1634 C LYS A 99 6.853 5.351 -3.155 1.00 0.00 C ATOM 1635 O LYS A 99 6.034 6.069 -2.584 1.00 0.00 O ATOM 1636 CB LYS A 99 9.330 5.346 -2.675 1.00 0.00 C ATOM 1637 CG LYS A 99 9.257 6.712 -3.347 1.00 0.00 C ATOM 1638 CD LYS A 99 9.343 7.841 -2.330 1.00 0.00 C ATOM 1639 CE LYS A 99 10.711 8.502 -2.347 1.00 0.00 C ATOM 1640 NZ LYS A 99 10.736 9.753 -1.539 1.00 0.00 N ATOM 0 H LYS A 99 8.926 2.977 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 99 7.759 4.778 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.875 5.452 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.914 4.680 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.069 6.808 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.324 6.794 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.576 8.585 -2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.139 7.451 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.455 7.806 -1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.991 8.729 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.687 10.172 -1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.044 10.428 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.494 9.533 -0.552 1.00 0.00 H new ATOM 1654 N ASP A 100 6.831 5.123 -4.462 1.00 0.00 N ATOM 1655 CA ASP A 100 5.822 5.716 -5.329 1.00 0.00 C ATOM 1656 C ASP A 100 4.418 5.330 -4.881 1.00 0.00 C ATOM 1657 O ASP A 100 3.461 6.070 -5.097 1.00 0.00 O ATOM 1658 CB ASP A 100 6.049 5.276 -6.777 1.00 0.00 C ATOM 1659 CG ASP A 100 7.263 5.938 -7.398 1.00 0.00 C ATOM 1660 OD1 ASP A 100 8.339 5.919 -6.764 1.00 0.00 O ATOM 1661 OD2 ASP A 100 7.138 6.476 -8.518 1.00 0.00 O ATOM 0 H ASP A 100 7.504 4.529 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 100 5.914 6.800 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.172 4.193 -6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.166 5.515 -7.369 1.00 0.00 H new ATOM 1666 N VAL A 101 4.302 4.167 -4.262 1.00 0.00 N ATOM 1667 CA VAL A 101 3.014 3.679 -3.789 1.00 0.00 C ATOM 1668 C VAL A 101 2.686 4.251 -2.431 1.00 0.00 C ATOM 1669 O VAL A 101 1.708 4.978 -2.285 1.00 0.00 O ATOM 1670 CB VAL A 101 3.001 2.152 -3.752 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.599 1.624 -3.498 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.553 1.650 -5.066 1.00 0.00 C ATOM 0 H VAL A 101 5.085 3.541 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 101 2.246 4.012 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 101 3.621 1.791 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.619 0.534 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.237 1.999 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.934 1.959 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.555 0.560 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.931 2.012 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.572 2.015 -5.196 1.00 0.00 H new ATOM 1682 N ASN A 102 3.525 3.973 -1.437 1.00 0.00 N ATOM 1683 CA ASN A 102 3.303 4.537 -0.114 1.00 0.00 C ATOM 1684 C ASN A 102 3.092 6.042 -0.259 1.00 0.00 C ATOM 1685 O ASN A 102 2.423 6.671 0.554 1.00 0.00 O ATOM 1686 CB ASN A 102 4.482 4.235 0.823 1.00 0.00 C ATOM 1687 CG ASN A 102 5.770 4.946 0.441 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.755 6.030 -0.139 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.897 4.333 0.781 1.00 0.00 N ATOM 0 H ASN A 102 4.346 3.374 -1.520 1.00 0.00 H new ATOM 0 HA ASN A 102 2.418 4.083 0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 102 4.208 4.520 1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.661 3.160 0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.797 4.761 0.562 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.864 3.434 1.262 1.00 0.00 H new ATOM 1696 N ARG A 103 3.652 6.596 -1.340 1.00 0.00 N ATOM 1697 CA ARG A 103 3.513 8.007 -1.649 1.00 0.00 C ATOM 1698 C ARG A 103 2.118 8.281 -2.195 1.00 0.00 C ATOM 1699 O ARG A 103 1.402 9.137 -1.672 1.00 0.00 O ATOM 1700 CB ARG A 103 4.563 8.443 -2.670 1.00 0.00 C ATOM 1701 CG ARG A 103 5.903 8.806 -2.051 1.00 0.00 C ATOM 1702 CD ARG A 103 6.252 10.268 -2.287 1.00 0.00 C ATOM 1703 NE ARG A 103 7.169 10.436 -3.412 1.00 0.00 N ATOM 1704 CZ ARG A 103 7.577 11.620 -3.865 1.00 0.00 C ATOM 1705 NH1 ARG A 103 7.151 12.740 -3.294 1.00 0.00 N ATOM 1706 NH2 ARG A 103 8.413 11.683 -4.892 1.00 0.00 N ATOM 0 H ARG A 103 4.210 6.075 -2.017 1.00 0.00 H new ATOM 0 HA ARG A 103 3.663 8.578 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.712 7.639 -3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.184 9.302 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.875 8.606 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.683 8.172 -2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.339 10.833 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.703 10.683 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 103 7.517 9.598 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.508 12.697 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.467 13.644 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.743 10.825 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.726 12.589 -5.240 1.00 0.00 H new ATOM 1720 N LYS A 104 1.709 7.534 -3.230 1.00 0.00 N ATOM 1721 CA LYS A 104 0.372 7.726 -3.781 1.00 0.00 C ATOM 1722 C LYS A 104 -0.641 7.147 -2.818 1.00 0.00 C ATOM 1723 O LYS A 104 -1.481 7.857 -2.267 1.00 0.00 O ATOM 1724 CB LYS A 104 0.213 7.037 -5.134 1.00 0.00 C ATOM 1725 CG LYS A 104 1.266 7.411 -6.155 1.00 0.00 C ATOM 1726 CD LYS A 104 1.568 6.237 -7.069 1.00 0.00 C ATOM 1727 CE LYS A 104 2.907 6.405 -7.762 1.00 0.00 C ATOM 1728 NZ LYS A 104 2.780 7.157 -9.041 1.00 0.00 N ATOM 0 H LYS A 104 2.269 6.814 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 104 0.214 8.795 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.238 5.958 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.770 7.280 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.921 8.259 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.177 7.726 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.570 5.314 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.779 6.143 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.595 6.929 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.339 5.424 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.717 7.250 -9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.143 6.644 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.391 8.103 -8.851 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.527 5.841 -2.625 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.393 5.085 -1.737 1.00 0.00 C ATOM 1744 C LEU A 105 -1.678 5.839 -0.437 1.00 0.00 C ATOM 1745 O LEU A 105 -2.762 5.713 0.132 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.741 3.739 -1.440 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.681 2.674 -0.901 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.178 1.287 -1.262 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.815 2.827 0.596 1.00 0.00 C ATOM 0 H LEU A 105 0.180 5.270 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.352 4.935 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.280 3.366 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.061 3.893 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.664 2.801 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.864 0.537 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.120 1.192 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.188 1.135 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.490 2.062 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.836 2.715 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.216 3.814 0.826 1.00 0.00 H new ATOM 1761 N SER A 106 -0.715 6.636 0.022 1.00 0.00 N ATOM 1762 CA SER A 106 -0.900 7.410 1.245 1.00 0.00 C ATOM 1763 C SER A 106 -1.930 8.502 1.016 1.00 0.00 C ATOM 1764 O SER A 106 -2.951 8.569 1.700 1.00 0.00 O ATOM 1765 CB SER A 106 0.416 8.047 1.695 1.00 0.00 C ATOM 1766 OG SER A 106 1.132 7.191 2.568 1.00 0.00 O ATOM 0 H SER A 106 0.191 6.761 -0.429 1.00 0.00 H new ATOM 0 HA SER A 106 -1.246 6.731 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.029 8.275 0.823 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.211 8.993 2.197 1.00 0.00 H new ATOM 0 HG SER A 106 1.474 6.423 2.065 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.647 9.356 0.041 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.533 10.461 -0.298 1.00 0.00 C ATOM 1774 C ASP A 107 -3.923 9.973 -0.690 1.00 0.00 C ATOM 1775 O ASP A 107 -4.882 10.745 -0.684 1.00 0.00 O ATOM 1776 CB ASP A 107 -1.939 11.264 -1.448 1.00 0.00 C ATOM 1777 CG ASP A 107 -2.011 12.759 -1.213 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -3.115 13.262 -0.920 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -0.961 13.429 -1.322 1.00 0.00 O ATOM 0 H ASP A 107 -0.805 9.303 -0.532 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.631 11.088 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.899 10.972 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.468 11.019 -2.369 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.034 8.697 -1.043 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.314 8.140 -1.445 1.00 0.00 C ATOM 1786 C VAL A 108 -6.202 7.911 -0.242 1.00 0.00 C ATOM 1787 O VAL A 108 -7.398 8.196 -0.281 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.153 6.810 -2.193 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.341 6.564 -3.096 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -3.867 6.790 -2.993 1.00 0.00 C ATOM 0 H VAL A 108 -3.258 8.036 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.772 8.868 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.105 6.010 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.211 5.617 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.251 6.526 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.419 7.372 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.777 5.837 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.879 7.601 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.018 6.918 -2.321 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.616 7.408 0.835 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.391 7.171 2.044 1.00 0.00 C ATOM 1802 C TRP A 109 -6.752 8.501 2.681 1.00 0.00 C ATOM 1803 O TRP A 109 -7.827 8.659 3.258 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.654 6.288 3.056 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.470 6.057 4.295 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.071 6.207 5.590 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -7.844 5.658 4.342 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.117 5.931 6.443 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.218 5.590 5.698 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -8.792 5.353 3.366 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.508 5.233 6.094 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.067 5.000 3.759 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.415 4.945 5.112 1.00 0.00 C ATOM 0 H TRP A 109 -4.628 7.161 0.898 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.293 6.633 1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.414 5.330 2.595 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.708 6.757 3.326 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.079 6.500 5.902 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.079 5.973 7.461 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.532 5.392 2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.780 5.186 7.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -10.808 4.763 3.010 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.422 4.669 5.388 1.00 0.00 H new ATOM 1824 N LYS A 110 -5.851 9.467 2.551 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.081 10.794 3.091 1.00 0.00 C ATOM 1826 C LYS A 110 -7.270 11.434 2.387 1.00 0.00 C ATOM 1827 O LYS A 110 -8.043 12.168 2.995 1.00 0.00 O ATOM 1828 CB LYS A 110 -4.834 11.666 2.918 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.582 11.075 3.548 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.386 12.001 3.381 1.00 0.00 C ATOM 1831 CE LYS A 110 -2.438 13.161 4.362 1.00 0.00 C ATOM 1832 NZ LYS A 110 -1.958 14.430 3.747 1.00 0.00 N ATOM 0 H LYS A 110 -4.956 9.353 2.076 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.297 10.710 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.656 11.822 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.023 12.646 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.758 10.893 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.364 10.110 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.465 11.438 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.362 12.386 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.461 13.293 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.828 12.927 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.009 15.197 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.973 14.313 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.556 14.668 2.930 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.412 11.139 1.097 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.506 11.677 0.302 1.00 0.00 C ATOM 1848 C GLU A 111 -9.704 10.736 0.309 1.00 0.00 C ATOM 1849 O GLU A 111 -10.842 11.159 0.116 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.044 11.907 -1.132 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.093 13.368 -1.544 1.00 0.00 C ATOM 1852 CD GLU A 111 -7.923 13.560 -3.038 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -6.876 13.138 -3.576 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -8.835 14.131 -3.671 1.00 0.00 O ATOM 0 H GLU A 111 -6.779 10.528 0.581 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.810 12.626 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.024 11.538 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.670 11.324 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.045 13.797 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.310 13.916 -1.020 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.439 9.458 0.524 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.494 8.458 0.551 1.00 0.00 C ATOM 1863 C LEU A 112 -11.195 8.468 1.903 1.00 0.00 C ATOM 1864 O LEU A 112 -12.424 8.432 1.979 1.00 0.00 O ATOM 1865 CB LEU A 112 -9.921 7.069 0.251 1.00 0.00 C ATOM 1866 CG LEU A 112 -10.957 5.946 0.145 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.110 6.350 -0.754 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.314 4.683 -0.384 1.00 0.00 C ATOM 0 H LEU A 112 -8.502 9.088 0.683 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.226 8.701 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.364 7.117 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.208 6.811 1.034 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.348 5.757 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.830 5.534 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.597 7.236 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.733 6.571 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.064 3.895 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.896 4.874 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.519 4.369 0.292 1.00 0.00 H new ATOM 1880 N SER A 113 -10.404 8.532 2.968 1.00 0.00 N ATOM 1881 CA SER A 113 -10.942 8.565 4.320 1.00 0.00 C ATOM 1882 C SER A 113 -11.646 9.893 4.586 1.00 0.00 C ATOM 1883 O SER A 113 -12.766 9.918 5.095 1.00 0.00 O ATOM 1884 CB SER A 113 -9.822 8.351 5.343 1.00 0.00 C ATOM 1885 OG SER A 113 -9.271 9.585 5.772 1.00 0.00 O ATOM 0 H SER A 113 -9.386 8.562 2.919 1.00 0.00 H new ATOM 0 HA SER A 113 -11.670 7.760 4.419 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.212 7.806 6.203 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.038 7.734 4.903 1.00 0.00 H new ATOM 0 HG SER A 113 -8.553 9.853 5.161 1.00 0.00 H new ATOM 1891 N LEU A 114 -10.983 10.997 4.242 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.557 12.320 4.454 1.00 0.00 C ATOM 1893 C LEU A 114 -12.857 12.474 3.662 1.00 0.00 C ATOM 1894 O LEU A 114 -13.773 13.173 4.094 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.517 13.409 4.121 1.00 0.00 C ATOM 1896 CG LEU A 114 -10.784 14.309 2.905 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -10.940 13.484 1.644 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.006 15.186 3.130 1.00 0.00 C ATOM 0 H LEU A 114 -10.055 10.999 3.819 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.818 12.441 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.413 14.051 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.556 12.918 3.969 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.920 14.962 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.128 14.145 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.027 12.917 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.778 12.796 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.171 15.812 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.880 14.556 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.844 15.819 4.003 1.00 0.00 H new ATOM 1910 N LEU A 115 -12.944 11.798 2.517 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.148 11.845 1.695 1.00 0.00 C ATOM 1912 C LEU A 115 -15.224 10.952 2.294 1.00 0.00 C ATOM 1913 O LEU A 115 -16.399 11.316 2.341 1.00 0.00 O ATOM 1914 CB LEU A 115 -13.843 11.391 0.265 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.210 12.452 -0.633 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -12.965 11.898 -2.028 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.089 13.692 -0.693 1.00 0.00 C ATOM 0 H LEU A 115 -12.197 11.214 2.140 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.505 12.875 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.176 10.530 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.770 11.053 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.248 12.734 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.514 12.670 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.293 11.042 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -13.912 11.585 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.623 14.438 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.067 13.426 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.208 14.102 0.310 1.00 0.00 H new ATOM 1929 N LEU A 116 -14.808 9.777 2.756 1.00 0.00 N ATOM 1930 CA LEU A 116 -15.725 8.821 3.359 1.00 0.00 C ATOM 1931 C LEU A 116 -16.455 9.441 4.541 1.00 0.00 C ATOM 1932 O LEU A 116 -17.666 9.274 4.691 1.00 0.00 O ATOM 1933 CB LEU A 116 -14.965 7.571 3.798 1.00 0.00 C ATOM 1934 CG LEU A 116 -14.849 6.495 2.722 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -13.857 5.420 3.138 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.214 5.890 2.443 1.00 0.00 C ATOM 0 H LEU A 116 -13.837 9.465 2.723 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.468 8.539 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -13.963 7.862 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.463 7.145 4.669 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.478 6.956 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.791 4.664 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.876 5.870 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.192 4.955 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.122 5.123 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.607 5.443 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.894 6.669 2.099 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.717 10.171 5.371 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.307 10.832 6.529 1.00 0.00 C ATOM 1950 C GLN A 117 -17.463 11.729 6.092 1.00 0.00 C ATOM 1951 O GLN A 117 -18.355 12.040 6.879 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.254 11.665 7.260 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.370 10.852 8.191 1.00 0.00 C ATOM 1954 CD GLN A 117 -12.939 11.351 8.217 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.617 12.317 8.909 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.071 10.692 7.457 1.00 0.00 N ATOM 0 H GLN A 117 -14.714 10.319 5.264 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.686 10.067 7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.626 12.168 6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.755 12.443 7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.782 10.887 9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.382 9.808 7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.382 9.897 6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.093 10.981 7.431 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.430 12.148 4.827 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.465 13.013 4.276 1.00 0.00 C ATOM 1967 C VAL A 118 -19.598 12.213 3.643 1.00 0.00 C ATOM 1968 O VAL A 118 -20.761 12.355 4.018 1.00 0.00 O ATOM 1969 CB VAL A 118 -17.889 13.951 3.200 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -18.860 15.080 2.904 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.535 14.490 3.623 1.00 0.00 C ATOM 0 H VAL A 118 -16.694 11.900 4.166 1.00 0.00 H new ATOM 0 HA VAL A 118 -18.853 13.592 5.114 1.00 0.00 H new ATOM 0 HB VAL A 118 -17.747 13.378 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.437 15.733 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -19.802 14.665 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.040 15.653 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.148 15.150 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.640 15.047 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -15.844 13.661 3.772 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.247 11.398 2.653 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.231 10.597 1.928 1.00 0.00 C ATOM 1983 C GLU A 119 -20.790 9.454 2.772 1.00 0.00 C ATOM 1984 O GLU A 119 -22.003 9.252 2.823 1.00 0.00 O ATOM 1985 CB GLU A 119 -19.609 10.037 0.647 1.00 0.00 C ATOM 1986 CG GLU A 119 -18.817 11.065 -0.145 1.00 0.00 C ATOM 1987 CD GLU A 119 -19.613 12.323 -0.430 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -20.848 12.223 -0.583 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.001 13.410 -0.501 1.00 0.00 O ATOM 0 H GLU A 119 -18.287 11.274 2.333 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.063 11.257 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.953 9.205 0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.400 9.635 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -17.915 11.328 0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.495 10.622 -1.088 1.00 0.00 H new ATOM 1996 N GLN A 120 -19.912 8.699 3.422 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.347 7.572 4.242 1.00 0.00 C ATOM 1998 C GLN A 120 -20.612 7.992 5.685 1.00 0.00 C ATOM 1999 O GLN A 120 -21.267 7.270 6.436 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.303 6.455 4.202 1.00 0.00 C ATOM 2001 CG GLN A 120 -19.630 5.364 3.197 1.00 0.00 C ATOM 2002 CD GLN A 120 -19.032 4.024 3.576 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -19.418 3.420 4.575 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -18.085 3.555 2.775 1.00 0.00 N ATOM 0 H GLN A 120 -18.903 8.844 3.399 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.285 7.204 3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.331 6.884 3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.217 6.012 5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -20.712 5.264 3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -19.261 5.658 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -17.797 4.092 1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -17.645 2.657 2.977 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.107 9.157 6.068 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.300 9.661 7.422 1.00 0.00 C ATOM 2015 C ARG A 121 -19.673 8.724 8.452 1.00 0.00 C ATOM 2016 O ARG A 121 -20.037 8.750 9.627 1.00 0.00 O ATOM 2017 CB ARG A 121 -21.792 9.831 7.718 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.557 10.538 6.611 1.00 0.00 C ATOM 2019 CD ARG A 121 -24.034 10.180 6.638 1.00 0.00 C ATOM 2020 NE ARG A 121 -24.770 10.810 5.545 1.00 0.00 N ATOM 2021 CZ ARG A 121 -25.052 12.109 5.493 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -24.658 12.920 6.466 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -25.728 12.601 4.463 1.00 0.00 N ATOM 0 H ARG A 121 -19.562 9.770 5.462 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.807 10.630 7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.235 8.849 7.884 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.908 10.393 8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.441 11.616 6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.133 10.267 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.146 9.098 6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.465 10.489 7.590 1.00 0.00 H new ATOM 0 HE ARG A 121 -25.086 10.219 4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.136 12.548 7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.877 13.915 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.032 11.983 3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -25.944 13.597 4.424 1.00 0.00 H new ATOM 2037 N MET A 122 -18.729 7.899 8.008 1.00 0.00 N ATOM 2038 CA MET A 122 -18.061 6.963 8.902 1.00 0.00 C ATOM 2039 C MET A 122 -16.951 7.662 9.686 1.00 0.00 C ATOM 2040 O MET A 122 -16.145 8.393 9.111 1.00 0.00 O ATOM 2041 CB MET A 122 -17.495 5.778 8.111 1.00 0.00 C ATOM 2042 CG MET A 122 -16.262 6.110 7.277 1.00 0.00 C ATOM 2043 SD MET A 122 -14.829 5.109 7.728 1.00 0.00 S ATOM 2044 CE MET A 122 -13.647 5.605 6.473 1.00 0.00 C ATOM 0 H MET A 122 -18.412 7.861 7.039 1.00 0.00 H new ATOM 0 HA MET A 122 -18.796 6.586 9.613 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.243 4.979 8.808 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.272 5.393 7.451 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.490 5.957 6.222 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.017 7.165 7.401 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.666 5.737 6.929 1.00 0.00 H new ATOM 0 HE2 MET A 122 -13.589 4.835 5.703 1.00 0.00 H new ATOM 0 HE3 MET A 122 -13.967 6.545 6.023 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.892 7.460 11.014 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.869 8.087 11.853 1.00 0.00 C ATOM 2056 C PRO A 123 -14.479 7.546 11.559 1.00 0.00 C ATOM 2057 O PRO A 123 -14.254 6.335 11.582 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.291 7.735 13.288 1.00 0.00 C ATOM 2059 CG PRO A 123 -17.683 7.206 13.181 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.804 6.621 11.804 1.00 0.00 C ATOM 0 HA PRO A 123 -15.806 9.161 11.676 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.622 6.992 13.722 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.254 8.613 13.933 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.872 6.450 13.943 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -18.414 8.000 13.332 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.509 5.572 11.783 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.827 6.673 11.431 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.552 8.449 11.272 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.185 8.062 10.962 1.00 0.00 C ATOM 2070 C VAL A 124 -11.179 8.901 11.733 1.00 0.00 C ATOM 2071 O VAL A 124 -11.489 9.999 12.195 1.00 0.00 O ATOM 2072 CB VAL A 124 -11.897 8.212 9.461 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.568 7.565 9.100 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.029 7.612 8.644 1.00 0.00 C ATOM 0 H VAL A 124 -13.723 9.454 11.248 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.082 7.017 11.255 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.829 9.274 9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.384 7.683 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.766 8.044 9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.601 6.504 9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.811 7.726 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.129 6.553 8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.961 8.126 8.880 1.00 0.00 H new ATOM 2084 N SER A 125 -9.966 8.378 11.857 1.00 0.00 N ATOM 2085 CA SER A 125 -8.898 9.079 12.559 1.00 0.00 C ATOM 2086 C SER A 125 -7.763 9.405 11.594 1.00 0.00 C ATOM 2087 O SER A 125 -7.819 9.035 10.422 1.00 0.00 O ATOM 2088 CB SER A 125 -8.376 8.229 13.719 1.00 0.00 C ATOM 2089 OG SER A 125 -9.386 7.367 14.213 1.00 0.00 O ATOM 0 H SER A 125 -9.697 7.469 11.480 1.00 0.00 H new ATOM 0 HA SER A 125 -9.297 10.010 12.962 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.521 7.640 13.387 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.024 8.878 14.520 1.00 0.00 H new ATOM 0 HG SER A 125 -9.028 6.833 14.952 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.713 10.099 12.070 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.564 10.462 11.233 1.00 0.00 C ATOM 2097 C PRO A 126 -4.824 9.224 10.738 1.00 0.00 C ATOM 2098 O PRO A 126 -3.688 8.961 11.132 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.670 11.288 12.170 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.551 11.684 13.307 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.560 10.583 13.450 1.00 0.00 C ATOM 0 HA PRO A 126 -5.861 11.008 10.337 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.818 10.703 12.518 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.269 12.164 11.660 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.974 11.806 14.224 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -6.040 12.638 13.108 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.208 9.796 14.118 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.503 10.949 13.857 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.492 8.455 9.884 1.00 0.00 N ATOM 2110 CA ILE A 127 -4.927 7.228 9.340 1.00 0.00 C ATOM 2111 C ILE A 127 -4.356 6.350 10.445 1.00 0.00 C ATOM 2112 O ILE A 127 -3.141 6.292 10.638 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.819 7.499 8.306 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -4.275 8.548 7.287 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.431 6.201 7.608 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -3.240 8.845 6.223 1.00 0.00 C ATOM 0 H ILE A 127 -6.434 8.664 9.552 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.749 6.714 8.842 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.944 7.892 8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -5.190 8.202 6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.520 9.471 7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.647 6.401 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.067 5.486 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.302 5.786 7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.630 9.596 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.332 9.221 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -3.012 7.932 5.672 1.00 0.00 H new ATOM 2128 N SER A 128 -5.234 5.653 11.161 1.00 0.00 N ATOM 2129 CA SER A 128 -4.801 4.762 12.232 1.00 0.00 C ATOM 2130 C SER A 128 -3.735 3.800 11.714 1.00 0.00 C ATOM 2131 O SER A 128 -2.923 3.276 12.478 1.00 0.00 O ATOM 2132 CB SER A 128 -5.993 3.980 12.786 1.00 0.00 C ATOM 2133 OG SER A 128 -6.071 4.098 14.197 1.00 0.00 O ATOM 0 H SER A 128 -6.244 5.688 11.020 1.00 0.00 H new ATOM 0 HA SER A 128 -4.374 5.362 13.036 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.915 4.349 12.336 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.902 2.929 12.511 1.00 0.00 H new ATOM 0 HG SER A 128 -6.842 3.590 14.526 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.746 3.587 10.401 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.792 2.708 9.746 1.00 0.00 C ATOM 2141 C GLN A 129 -1.376 3.283 9.815 1.00 0.00 C ATOM 2142 O GLN A 129 -0.400 2.581 9.546 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.197 2.507 8.284 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.520 1.777 8.107 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.727 2.634 8.449 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -6.070 2.800 9.620 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.382 3.181 7.429 1.00 0.00 N ATOM 0 H GLN A 129 -4.416 4.020 9.766 1.00 0.00 H new ATOM 0 HA GLN A 129 -2.797 1.749 10.265 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -3.262 3.480 7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -2.413 1.948 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.605 1.437 7.075 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -4.524 0.887 8.737 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -6.065 3.019 6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.202 3.763 7.602 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.271 4.564 10.163 1.00 0.00 N ATOM 2157 CA GLY A 130 0.028 5.207 10.244 1.00 0.00 C ATOM 2158 C GLY A 130 0.600 5.494 8.872 1.00 0.00 C ATOM 2159 O GLY A 130 1.247 4.639 8.277 1.00 0.00 O ATOM 0 H GLY A 130 -2.062 5.166 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -0.062 6.139 10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.716 4.568 10.798 1.00 0.00 H new ATOM 2163 N ALA A 131 0.350 6.697 8.364 1.00 0.00 N ATOM 2164 CA ALA A 131 0.829 7.094 7.041 1.00 0.00 C ATOM 2165 C ALA A 131 2.323 7.424 7.027 1.00 0.00 C ATOM 2166 O ALA A 131 2.798 8.117 6.128 1.00 0.00 O ATOM 2167 CB ALA A 131 0.023 8.279 6.529 1.00 0.00 C ATOM 0 H ALA A 131 -0.184 7.418 8.850 1.00 0.00 H new ATOM 0 HA ALA A 131 0.688 6.239 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.387 8.568 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -1.029 8.001 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.133 9.118 7.216 1.00 0.00 H new ATOM 2173 N SER A 132 3.064 6.930 8.014 1.00 0.00 N ATOM 2174 CA SER A 132 4.499 7.184 8.088 1.00 0.00 C ATOM 2175 C SER A 132 5.293 6.131 7.314 1.00 0.00 C ATOM 2176 O SER A 132 6.511 6.036 7.457 1.00 0.00 O ATOM 2177 CB SER A 132 4.957 7.198 9.543 1.00 0.00 C ATOM 2178 OG SER A 132 4.527 8.376 10.204 1.00 0.00 O ATOM 0 H SER A 132 2.696 6.354 8.771 1.00 0.00 H new ATOM 0 HA SER A 132 4.686 8.158 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.562 6.323 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.044 7.130 9.586 1.00 0.00 H new ATOM 0 HG SER A 132 4.832 8.359 11.135 1.00 0.00 H new ATOM 2184 N TRP A 133 4.599 5.339 6.497 1.00 0.00 N ATOM 2185 CA TRP A 133 5.249 4.291 5.707 1.00 0.00 C ATOM 2186 C TRP A 133 6.517 4.810 5.032 1.00 0.00 C ATOM 2187 O TRP A 133 7.574 4.184 5.104 1.00 0.00 O ATOM 2188 CB TRP A 133 4.306 3.746 4.626 1.00 0.00 C ATOM 2189 CG TRP A 133 2.864 3.670 5.031 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.365 3.278 6.238 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.731 3.989 4.213 1.00 0.00 C ATOM 2192 NE1 TRP A 133 0.989 3.334 6.219 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.579 3.767 4.988 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.581 4.441 2.900 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.705 3.981 4.494 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.307 4.653 2.410 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.822 4.424 3.205 1.00 0.00 C ATOM 0 H TRP A 133 3.590 5.402 6.364 1.00 0.00 H new ATOM 0 HA TRP A 133 5.510 3.491 6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.388 4.377 3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.642 2.749 4.339 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.961 2.969 7.084 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.375 3.092 6.997 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.446 4.622 2.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.577 3.804 5.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.180 5.002 1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.805 4.600 2.793 1.00 0.00 H new ATOM 2208 N ALA A 134 6.393 5.951 4.365 1.00 0.00 N ATOM 2209 CA ALA A 134 7.515 6.558 3.654 1.00 0.00 C ATOM 2210 C ALA A 134 8.729 6.751 4.559 1.00 0.00 C ATOM 2211 O ALA A 134 9.869 6.665 4.105 1.00 0.00 O ATOM 2212 CB ALA A 134 7.090 7.886 3.049 1.00 0.00 C ATOM 0 H ALA A 134 5.522 6.478 4.301 1.00 0.00 H new ATOM 0 HA ALA A 134 7.810 5.875 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.933 8.332 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.270 7.722 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.762 8.559 3.842 1.00 0.00 H new ATOM 2218 N GLN A 135 8.481 7.020 5.835 1.00 0.00 N ATOM 2219 CA GLN A 135 9.562 7.233 6.792 1.00 0.00 C ATOM 2220 C GLN A 135 10.367 5.955 7.010 1.00 0.00 C ATOM 2221 O GLN A 135 11.598 5.970 6.966 1.00 0.00 O ATOM 2222 CB GLN A 135 8.999 7.729 8.125 1.00 0.00 C ATOM 2223 CG GLN A 135 8.397 9.122 8.049 1.00 0.00 C ATOM 2224 CD GLN A 135 9.149 10.133 8.894 1.00 0.00 C ATOM 2225 OE1 GLN A 135 9.451 11.237 8.440 1.00 0.00 O ATOM 2226 NE2 GLN A 135 9.458 9.758 10.129 1.00 0.00 N ATOM 0 H GLN A 135 7.544 7.096 6.231 1.00 0.00 H new ATOM 0 HA GLN A 135 10.230 7.990 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.237 7.031 8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.795 7.726 8.870 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.392 9.455 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.358 9.082 8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 135 9.188 8.833 10.464 1.00 0.00 H new ATOM 0 HE22 GLN A 135 9.966 10.395 10.743 1.00 0.00 H new ATOM 2235 N GLU A 136 9.666 4.852 7.250 1.00 0.00 N ATOM 2236 CA GLU A 136 10.319 3.568 7.485 1.00 0.00 C ATOM 2237 C GLU A 136 10.698 2.886 6.173 1.00 0.00 C ATOM 2238 O GLU A 136 11.636 2.091 6.127 1.00 0.00 O ATOM 2239 CB GLU A 136 9.404 2.652 8.298 1.00 0.00 C ATOM 2240 CG GLU A 136 9.547 2.827 9.801 1.00 0.00 C ATOM 2241 CD GLU A 136 8.269 2.501 10.549 1.00 0.00 C ATOM 2242 OE1 GLU A 136 7.863 1.320 10.545 1.00 0.00 O ATOM 2243 OE2 GLU A 136 7.674 3.428 11.140 1.00 0.00 O ATOM 0 H GLU A 136 8.647 4.821 7.287 1.00 0.00 H new ATOM 0 HA GLU A 136 11.234 3.759 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.369 2.843 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.619 1.615 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.350 2.185 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.839 3.855 10.018 1.00 0.00 H new ATOM 2250 N ASP A 137 9.961 3.192 5.110 1.00 0.00 N ATOM 2251 CA ASP A 137 10.224 2.598 3.806 1.00 0.00 C ATOM 2252 C ASP A 137 11.564 3.063 3.254 1.00 0.00 C ATOM 2253 O ASP A 137 12.323 2.270 2.695 1.00 0.00 O ATOM 2254 CB ASP A 137 9.106 2.953 2.829 1.00 0.00 C ATOM 2255 CG ASP A 137 7.798 2.275 3.182 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.840 1.154 3.732 1.00 0.00 O ATOM 2257 OD2 ASP A 137 6.730 2.864 2.908 1.00 0.00 O ATOM 0 H ASP A 137 9.179 3.846 5.127 1.00 0.00 H new ATOM 0 HA ASP A 137 10.261 1.516 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.962 4.033 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.402 2.664 1.821 1.00 0.00 H new ATOM 2262 N GLN A 138 11.855 4.350 3.410 1.00 0.00 N ATOM 2263 CA GLN A 138 13.109 4.903 2.920 1.00 0.00 C ATOM 2264 C GLN A 138 14.261 4.518 3.840 1.00 0.00 C ATOM 2265 O GLN A 138 15.379 4.280 3.382 1.00 0.00 O ATOM 2266 CB GLN A 138 13.010 6.428 2.772 1.00 0.00 C ATOM 2267 CG GLN A 138 13.178 7.194 4.071 1.00 0.00 C ATOM 2268 CD GLN A 138 14.463 8.003 4.116 1.00 0.00 C ATOM 2269 OE1 GLN A 138 14.493 9.106 4.661 1.00 0.00 O ATOM 2270 NE2 GLN A 138 15.531 7.460 3.540 1.00 0.00 N ATOM 0 H GLN A 138 11.243 5.025 3.869 1.00 0.00 H new ATOM 0 HA GLN A 138 13.308 4.482 1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 138 13.770 6.763 2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.041 6.677 2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.328 7.863 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 138 13.166 6.492 4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 138 15.462 6.543 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 138 16.420 7.961 3.539 1.00 0.00 H new ATOM 2279 N GLN A 139 13.980 4.435 5.137 1.00 0.00 N ATOM 2280 CA GLN A 139 14.995 4.051 6.105 1.00 0.00 C ATOM 2281 C GLN A 139 15.445 2.628 5.820 1.00 0.00 C ATOM 2282 O GLN A 139 16.625 2.293 5.937 1.00 0.00 O ATOM 2283 CB GLN A 139 14.449 4.159 7.531 1.00 0.00 C ATOM 2284 CG GLN A 139 14.478 5.574 8.086 1.00 0.00 C ATOM 2285 CD GLN A 139 14.141 5.627 9.563 1.00 0.00 C ATOM 2286 OE1 GLN A 139 12.974 5.536 9.950 1.00 0.00 O ATOM 2287 NE2 GLN A 139 15.162 5.773 10.399 1.00 0.00 N ATOM 0 H GLN A 139 13.062 4.628 5.538 1.00 0.00 H new ATOM 0 HA GLN A 139 15.846 4.726 6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.423 3.792 7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 139 15.031 3.509 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 139 15.468 6.003 7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.770 6.192 7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 139 16.112 5.844 10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 139 14.996 5.814 11.405 1.00 0.00 H new ATOM 2296 N ASP A 140 14.487 1.799 5.416 1.00 0.00 N ATOM 2297 CA ASP A 140 14.763 0.412 5.080 1.00 0.00 C ATOM 2298 C ASP A 140 15.260 0.306 3.642 1.00 0.00 C ATOM 2299 O ASP A 140 15.921 -0.662 3.278 1.00 0.00 O ATOM 2300 CB ASP A 140 13.506 -0.438 5.265 1.00 0.00 C ATOM 2301 CG ASP A 140 13.242 -0.767 6.721 1.00 0.00 C ATOM 2302 OD1 ASP A 140 12.572 0.040 7.399 1.00 0.00 O ATOM 2303 OD2 ASP A 140 13.703 -1.832 7.183 1.00 0.00 O ATOM 0 H ASP A 140 13.509 2.069 5.314 1.00 0.00 H new ATOM 0 HA ASP A 140 15.540 0.040 5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.648 0.093 4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.610 -1.364 4.699 1.00 0.00 H new ATOM 2308 N ALA A 141 14.942 1.317 2.834 1.00 0.00 N ATOM 2309 CA ALA A 141 15.361 1.351 1.438 1.00 0.00 C ATOM 2310 C ALA A 141 16.845 1.667 1.343 1.00 0.00 C ATOM 2311 O ALA A 141 17.631 0.863 0.841 1.00 0.00 O ATOM 2312 CB ALA A 141 14.551 2.381 0.663 1.00 0.00 C ATOM 0 H ALA A 141 14.393 2.125 3.126 1.00 0.00 H new ATOM 0 HA ALA A 141 15.182 0.370 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.877 2.393 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.493 2.121 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.702 3.367 1.102 1.00 0.00 H new ATOM 2318 N ASP A 142 17.226 2.837 1.849 1.00 0.00 N ATOM 2319 CA ASP A 142 18.624 3.244 1.841 1.00 0.00 C ATOM 2320 C ASP A 142 19.459 2.207 2.577 1.00 0.00 C ATOM 2321 O ASP A 142 20.607 1.942 2.220 1.00 0.00 O ATOM 2322 CB ASP A 142 18.787 4.617 2.498 1.00 0.00 C ATOM 2323 CG ASP A 142 18.496 5.754 1.541 1.00 0.00 C ATOM 2324 OD1 ASP A 142 17.352 5.839 1.049 1.00 0.00 O ATOM 2325 OD2 ASP A 142 19.414 6.562 1.283 1.00 0.00 O ATOM 0 H ASP A 142 16.589 3.515 2.267 1.00 0.00 H new ATOM 0 HA ASP A 142 18.967 3.316 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.118 4.688 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.804 4.717 2.878 1.00 0.00 H new ATOM 2330 N GLU A 143 18.856 1.609 3.602 1.00 0.00 N ATOM 2331 CA GLU A 143 19.520 0.583 4.388 1.00 0.00 C ATOM 2332 C GLU A 143 19.520 -0.743 3.637 1.00 0.00 C ATOM 2333 O GLU A 143 20.486 -1.502 3.702 1.00 0.00 O ATOM 2334 CB GLU A 143 18.829 0.419 5.743 1.00 0.00 C ATOM 2335 CG GLU A 143 19.141 1.537 6.724 1.00 0.00 C ATOM 2336 CD GLU A 143 20.577 1.503 7.207 1.00 0.00 C ATOM 2337 OE1 GLU A 143 21.078 0.398 7.503 1.00 0.00 O ATOM 2338 OE2 GLU A 143 21.202 2.582 7.289 1.00 0.00 O ATOM 0 H GLU A 143 17.905 1.821 3.905 1.00 0.00 H new ATOM 0 HA GLU A 143 20.552 0.891 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.751 0.373 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 143 19.129 -0.533 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 143 18.944 2.498 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.471 1.461 7.581 1.00 0.00 H new ATOM 2345 N ASP A 144 18.430 -1.018 2.920 1.00 0.00 N ATOM 2346 CA ASP A 144 18.316 -2.258 2.156 1.00 0.00 C ATOM 2347 C ASP A 144 19.439 -2.374 1.132 1.00 0.00 C ATOM 2348 O ASP A 144 20.221 -3.325 1.156 1.00 0.00 O ATOM 2349 CB ASP A 144 16.962 -2.334 1.445 1.00 0.00 C ATOM 2350 CG ASP A 144 15.952 -3.164 2.215 1.00 0.00 C ATOM 2351 OD1 ASP A 144 16.317 -4.265 2.676 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.795 -2.711 2.354 1.00 0.00 O ATOM 0 H ASP A 144 17.619 -0.403 2.853 1.00 0.00 H new ATOM 0 HA ASP A 144 18.396 -3.087 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.570 -1.326 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.099 -2.762 0.452 1.00 0.00 H new ATOM 2357 N ARG A 145 19.510 -1.404 0.226 1.00 0.00 N ATOM 2358 CA ARG A 145 20.535 -1.403 -0.814 1.00 0.00 C ATOM 2359 C ARG A 145 21.934 -1.552 -0.217 1.00 0.00 C ATOM 2360 O ARG A 145 22.712 -2.402 -0.647 1.00 0.00 O ATOM 2361 CB ARG A 145 20.454 -0.119 -1.643 1.00 0.00 C ATOM 2362 CG ARG A 145 20.460 1.150 -0.809 1.00 0.00 C ATOM 2363 CD ARG A 145 19.872 2.326 -1.577 1.00 0.00 C ATOM 2364 NE ARG A 145 20.819 3.433 -1.691 1.00 0.00 N ATOM 2365 CZ ARG A 145 20.583 4.540 -2.392 1.00 0.00 C ATOM 2366 NH1 ARG A 145 19.433 4.692 -3.038 1.00 0.00 N ATOM 2367 NH2 ARG A 145 21.497 5.498 -2.445 1.00 0.00 N ATOM 0 H ARG A 145 18.871 -0.609 0.190 1.00 0.00 H new ATOM 0 HA ARG A 145 20.349 -2.259 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.295 -0.091 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.546 -0.143 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.888 0.989 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 145 21.481 1.384 -0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 145 19.577 1.997 -2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 145 18.969 2.672 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 145 21.712 3.353 -1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 145 18.725 3.959 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 145 19.257 5.542 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 145 22.381 5.387 -1.949 1.00 0.00 H new ATOM 0 HH22 ARG A 145 21.316 6.346 -2.982 1.00 0.00 H new