USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 962 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 49 SER OG : rot -76:sc= 1.28 USER MOD Set 1.2: A 70 SER OG : rot 49:sc= 0.397 USER MOD Set 1.3: A 72 HIS : no HD1:sc= -2.97! C(o=-0.26!,f=-1!) USER MOD Set 1.4: A 80 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.625 USER MOD Set 2.2: A 102 GLN : amide:sc= -1.22! C(o=-0.6!,f=-2!) USER MOD Set 3.1: A 28 GLN : amide:sc= -0.0122 X(o=-0.11,f=-0.4) USER MOD Set 3.2: A 38 MET CE :methyl -142:sc= -0.0937 (180deg=-0.221) USER MOD Set 4.1: A 19 SER OG : rot 107:sc= 0.726 USER MOD Set 4.2: A 21 HIS : no HE2:sc= -0.44 K(o=0.29,f=-0.49) USER MOD Set 5.1: A 9 TYR OH : rot 180:sc= 0.951 USER MOD Set 5.2: A 13 LYS NZ :NH3+ 163:sc= 2.21 (180deg=1.18) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0918 (180deg=-0.585) USER MOD Single : A 1 MET N :NH3+ 135:sc= 1.23 (180deg=0.599) USER MOD Single : A 2 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 10 CYS SG : rot 73:sc= 1.22 USER MOD Single : A 11 MET CE :methyl 150:sc= -1.71 (180deg=-3.67!) USER MOD Single : A 18 GLN : amide:sc= -0.627 K(o=-0.63,f=-4.8!) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 1.33 (180deg=1.18) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= 0.621 (180deg=0.484) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 1.51 (180deg=0.871) USER MOD Single : A 44 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= 1.13 (180deg=0.576) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.11) USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00705 X(o=-0.0071,f=-0.033) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.013) USER MOD Single : A 79 SER OG : rot -130:sc= -0.0974 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc=-0.00634 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.295 K(o=-0.3,f=-5.2!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 79:sc= 0.962 USER MOD Single : A 100 TYR OH : rot 40:sc= 1.24 USER MOD Single : A 101 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.076) USER MOD Single : A 105 ASN : amide:sc=-0.00158 K(o=-0.0016,f=-0.81) USER MOD Single : A 111 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.18) USER MOD Single : A 113 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.941) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.764 -10.959 9.866 1.00 0.00 N ATOM 2 CA MET A 1 -3.156 -10.454 9.815 1.00 0.00 C ATOM 3 C MET A 1 -3.834 -10.905 8.536 1.00 0.00 C ATOM 4 O MET A 1 -3.177 -11.378 7.607 1.00 0.00 O ATOM 5 CB MET A 1 -3.193 -8.927 9.894 1.00 0.00 C ATOM 6 CG MET A 1 -2.519 -8.238 8.717 1.00 0.00 C ATOM 7 SD MET A 1 -2.593 -6.442 8.819 1.00 0.00 S ATOM 8 CE MET A 1 -1.614 -6.151 10.289 1.00 0.00 C ATOM 0 H1 MET A 1 -1.129 -10.195 10.173 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.706 -11.750 10.539 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.479 -11.287 8.921 1.00 0.00 H new ATOM 0 HA MET A 1 -3.687 -10.863 10.675 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.231 -8.600 9.949 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.709 -8.608 10.817 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.476 -8.551 8.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.994 -8.564 7.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.281 -5.113 10.305 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.218 -6.351 11.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.746 -6.811 10.285 1.00 0.00 H new ATOM 20 N THR A 2 -5.146 -10.754 8.485 1.00 0.00 N ATOM 21 CA THR A 2 -5.887 -11.058 7.280 1.00 0.00 C ATOM 22 C THR A 2 -6.267 -9.764 6.557 1.00 0.00 C ATOM 23 O THR A 2 -6.188 -8.678 7.136 1.00 0.00 O ATOM 24 CB THR A 2 -7.155 -11.867 7.600 1.00 0.00 C ATOM 25 OG1 THR A 2 -6.956 -12.627 8.799 1.00 0.00 O ATOM 26 CG2 THR A 2 -7.477 -12.812 6.461 1.00 0.00 C ATOM 0 H THR A 2 -5.716 -10.423 9.263 1.00 0.00 H new ATOM 0 HA THR A 2 -5.249 -11.661 6.633 1.00 0.00 H new ATOM 0 HB THR A 2 -7.984 -11.173 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.451 -12.211 9.536 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.377 -13.378 6.701 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.642 -12.239 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.645 -13.500 6.312 1.00 0.00 H new ATOM 34 N ILE A 3 -6.680 -9.881 5.300 1.00 0.00 N ATOM 35 CA ILE A 3 -7.032 -8.717 4.494 1.00 0.00 C ATOM 36 C ILE A 3 -8.160 -7.912 5.141 1.00 0.00 C ATOM 37 O ILE A 3 -8.149 -6.687 5.105 1.00 0.00 O ATOM 38 CB ILE A 3 -7.445 -9.138 3.065 1.00 0.00 C ATOM 39 CG1 ILE A 3 -6.280 -9.843 2.363 1.00 0.00 C ATOM 40 CG2 ILE A 3 -7.911 -7.935 2.253 1.00 0.00 C ATOM 41 CD1 ILE A 3 -5.036 -8.988 2.238 1.00 0.00 C ATOM 0 H ILE A 3 -6.780 -10.773 4.815 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.146 -8.086 4.435 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.280 -9.834 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.032 -10.751 2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.600 -10.151 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.195 -8.260 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.769 -7.476 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.102 -7.208 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.255 -9.554 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.267 -8.092 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.690 -8.702 3.231 1.00 0.00 H new ATOM 53 N SER A 4 -9.116 -8.601 5.752 1.00 0.00 N ATOM 54 CA SER A 4 -10.253 -7.940 6.382 1.00 0.00 C ATOM 55 C SER A 4 -9.797 -7.003 7.504 1.00 0.00 C ATOM 56 O SER A 4 -10.261 -5.866 7.598 1.00 0.00 O ATOM 57 CB SER A 4 -11.219 -8.986 6.928 1.00 0.00 C ATOM 58 OG SER A 4 -11.481 -9.988 5.956 1.00 0.00 O ATOM 0 H SER A 4 -9.127 -9.618 5.825 1.00 0.00 H new ATOM 0 HA SER A 4 -10.761 -7.337 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.799 -9.443 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.152 -8.507 7.223 1.00 0.00 H new ATOM 0 HG SER A 4 -12.101 -10.650 6.327 1.00 0.00 H new ATOM 64 N GLU A 5 -8.886 -7.481 8.349 1.00 0.00 N ATOM 65 CA GLU A 5 -8.353 -6.663 9.431 1.00 0.00 C ATOM 66 C GLU A 5 -7.512 -5.528 8.865 1.00 0.00 C ATOM 67 O GLU A 5 -7.534 -4.414 9.379 1.00 0.00 O ATOM 68 CB GLU A 5 -7.514 -7.497 10.406 1.00 0.00 C ATOM 69 CG GLU A 5 -8.283 -8.611 11.101 1.00 0.00 C ATOM 70 CD GLU A 5 -8.357 -9.878 10.279 1.00 0.00 C ATOM 71 OE1 GLU A 5 -9.240 -9.978 9.407 1.00 0.00 O ATOM 72 OE2 GLU A 5 -7.528 -10.783 10.505 1.00 0.00 O ATOM 0 H GLU A 5 -8.504 -8.426 8.304 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.198 -6.249 9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.676 -7.934 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.093 -6.835 11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.808 -8.832 12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.294 -8.266 11.319 1.00 0.00 H new ATOM 79 N LEU A 6 -6.781 -5.820 7.795 1.00 0.00 N ATOM 80 CA LEU A 6 -5.983 -4.809 7.113 1.00 0.00 C ATOM 81 C LEU A 6 -6.880 -3.696 6.585 1.00 0.00 C ATOM 82 O LEU A 6 -6.626 -2.516 6.818 1.00 0.00 O ATOM 83 CB LEU A 6 -5.203 -5.443 5.962 1.00 0.00 C ATOM 84 CG LEU A 6 -4.257 -4.498 5.215 1.00 0.00 C ATOM 85 CD1 LEU A 6 -3.215 -3.925 6.164 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.587 -5.224 4.060 1.00 0.00 C ATOM 0 H LEU A 6 -6.725 -6.750 7.381 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.277 -4.382 7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.622 -6.277 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.914 -5.858 5.248 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.842 -3.672 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.552 -3.256 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.713 -3.370 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.632 -4.738 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.918 -4.539 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.015 -6.069 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.347 -5.586 3.368 1.00 0.00 H new ATOM 98 N LEU A 7 -7.939 -4.089 5.890 1.00 0.00 N ATOM 99 CA LEU A 7 -8.907 -3.141 5.352 1.00 0.00 C ATOM 100 C LEU A 7 -9.543 -2.322 6.472 1.00 0.00 C ATOM 101 O LEU A 7 -9.795 -1.127 6.320 1.00 0.00 O ATOM 102 CB LEU A 7 -9.995 -3.879 4.566 1.00 0.00 C ATOM 103 CG LEU A 7 -9.510 -4.644 3.330 1.00 0.00 C ATOM 104 CD1 LEU A 7 -10.686 -5.282 2.606 1.00 0.00 C ATOM 105 CD2 LEU A 7 -8.739 -3.724 2.395 1.00 0.00 C ATOM 0 H LEU A 7 -8.151 -5.065 5.684 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.380 -2.463 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.490 -4.582 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.747 -3.155 4.252 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.836 -5.435 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.325 -5.822 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.193 -5.976 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.384 -4.506 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.404 -4.288 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.386 -2.908 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.874 -3.316 2.918 1.00 0.00 H new ATOM 117 N GLN A 8 -9.787 -2.972 7.599 1.00 0.00 N ATOM 118 CA GLN A 8 -10.376 -2.308 8.751 1.00 0.00 C ATOM 119 C GLN A 8 -9.380 -1.325 9.370 1.00 0.00 C ATOM 120 O GLN A 8 -9.755 -0.223 9.775 1.00 0.00 O ATOM 121 CB GLN A 8 -10.826 -3.352 9.775 1.00 0.00 C ATOM 122 CG GLN A 8 -11.607 -2.782 10.945 1.00 0.00 C ATOM 123 CD GLN A 8 -12.238 -3.873 11.788 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.712 -4.982 11.882 1.00 0.00 O ATOM 125 NE2 GLN A 8 -13.370 -3.574 12.403 1.00 0.00 N ATOM 0 H GLN A 8 -9.586 -3.962 7.741 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.248 -1.739 8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.441 -4.097 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.947 -3.871 10.158 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.943 -2.181 11.566 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.385 -2.115 10.572 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.775 -2.644 12.301 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.838 -4.274 12.979 1.00 0.00 H new ATOM 134 N TYR A 9 -8.110 -1.718 9.415 1.00 0.00 N ATOM 135 CA TYR A 9 -7.049 -0.849 9.922 1.00 0.00 C ATOM 136 C TYR A 9 -6.863 0.367 9.015 1.00 0.00 C ATOM 137 O TYR A 9 -6.528 1.456 9.480 1.00 0.00 O ATOM 138 CB TYR A 9 -5.726 -1.621 10.043 1.00 0.00 C ATOM 139 CG TYR A 9 -4.536 -0.739 10.350 1.00 0.00 C ATOM 140 CD1 TYR A 9 -4.369 -0.177 11.611 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.592 -0.449 9.372 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.292 0.643 11.889 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.515 0.373 9.641 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.369 0.918 10.900 1.00 0.00 C ATOM 145 OH TYR A 9 -1.303 1.752 11.160 1.00 0.00 O ATOM 0 H TYR A 9 -7.789 -2.635 9.106 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.345 -0.503 10.912 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.823 -2.371 10.827 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.541 -2.156 9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.093 -0.385 12.385 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.702 -0.874 8.385 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.173 1.067 12.875 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.791 0.588 8.869 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.750 1.837 10.355 1.00 0.00 H new ATOM 155 N CYS A 10 -7.089 0.179 7.720 1.00 0.00 N ATOM 156 CA CYS A 10 -6.952 1.266 6.756 1.00 0.00 C ATOM 157 C CYS A 10 -8.017 2.339 6.979 1.00 0.00 C ATOM 158 O CYS A 10 -7.894 3.457 6.486 1.00 0.00 O ATOM 159 CB CYS A 10 -7.033 0.727 5.327 1.00 0.00 C ATOM 160 SG CYS A 10 -5.732 -0.458 4.921 1.00 0.00 S ATOM 0 H CYS A 10 -7.367 -0.714 7.313 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.974 1.724 6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.003 0.251 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.981 1.563 4.630 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.972 -1.588 5.518 1.00 0.00 H new ATOM 166 N MET A 11 -9.048 2.001 7.745 1.00 0.00 N ATOM 167 CA MET A 11 -10.102 2.956 8.064 1.00 0.00 C ATOM 168 C MET A 11 -9.680 3.832 9.241 1.00 0.00 C ATOM 169 O MET A 11 -10.419 4.713 9.675 1.00 0.00 O ATOM 170 CB MET A 11 -11.413 2.231 8.383 1.00 0.00 C ATOM 171 CG MET A 11 -11.984 1.417 7.224 1.00 0.00 C ATOM 172 SD MET A 11 -13.023 2.379 6.094 1.00 0.00 S ATOM 173 CE MET A 11 -11.838 3.470 5.310 1.00 0.00 C ATOM 0 H MET A 11 -9.176 1.076 8.155 1.00 0.00 H new ATOM 0 HA MET A 11 -10.266 3.591 7.193 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.249 1.566 9.231 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.154 2.967 8.694 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.161 0.978 6.660 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.570 0.591 7.627 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.173 3.706 4.300 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.752 4.390 5.888 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.866 2.979 5.264 1.00 0.00 H new ATOM 183 N ALA A 12 -8.482 3.576 9.759 1.00 0.00 N ATOM 184 CA ALA A 12 -7.904 4.405 10.806 1.00 0.00 C ATOM 185 C ALA A 12 -6.988 5.454 10.190 1.00 0.00 C ATOM 186 O ALA A 12 -6.245 6.148 10.887 1.00 0.00 O ATOM 187 CB ALA A 12 -7.149 3.547 11.811 1.00 0.00 C ATOM 0 H ALA A 12 -7.892 2.797 9.467 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.707 4.915 11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.724 4.184 12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.834 2.831 12.265 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.348 3.011 11.302 1.00 0.00 H new ATOM 193 N LYS A 13 -7.036 5.550 8.867 1.00 0.00 N ATOM 194 CA LYS A 13 -6.287 6.561 8.144 1.00 0.00 C ATOM 195 C LYS A 13 -7.262 7.565 7.534 1.00 0.00 C ATOM 196 O LYS A 13 -7.879 7.292 6.502 1.00 0.00 O ATOM 197 CB LYS A 13 -5.434 5.923 7.041 1.00 0.00 C ATOM 198 CG LYS A 13 -4.567 4.758 7.506 1.00 0.00 C ATOM 199 CD LYS A 13 -3.560 5.176 8.564 1.00 0.00 C ATOM 200 CE LYS A 13 -2.755 3.983 9.051 1.00 0.00 C ATOM 201 NZ LYS A 13 -1.822 4.341 10.151 1.00 0.00 N ATOM 0 H LYS A 13 -7.591 4.934 8.273 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.618 7.070 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.093 5.574 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.790 6.689 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.205 3.970 7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.039 4.337 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.888 5.930 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.080 5.636 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.436 3.204 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.188 3.566 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.513 3.476 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.993 4.831 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.306 4.966 10.827 1.00 0.00 H new ATOM 215 N PRO A 14 -7.432 8.728 8.178 1.00 0.00 N ATOM 216 CA PRO A 14 -8.416 9.729 7.754 1.00 0.00 C ATOM 217 C PRO A 14 -8.170 10.234 6.334 1.00 0.00 C ATOM 218 O PRO A 14 -7.125 10.812 6.037 1.00 0.00 O ATOM 219 CB PRO A 14 -8.248 10.864 8.771 1.00 0.00 C ATOM 220 CG PRO A 14 -6.911 10.645 9.394 1.00 0.00 C ATOM 221 CD PRO A 14 -6.680 9.162 9.367 1.00 0.00 C ATOM 0 HA PRO A 14 -9.423 9.314 7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.300 11.838 8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.039 10.840 9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.132 11.171 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.890 11.025 10.415 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.620 8.921 9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.046 8.680 10.274 1.00 0.00 H new ATOM 229 N GLY A 15 -9.129 9.987 5.454 1.00 0.00 N ATOM 230 CA GLY A 15 -9.012 10.446 4.088 1.00 0.00 C ATOM 231 C GLY A 15 -8.853 9.303 3.110 1.00 0.00 C ATOM 232 O GLY A 15 -9.193 9.432 1.937 1.00 0.00 O ATOM 0 H GLY A 15 -9.987 9.476 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.897 11.026 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.156 11.115 4.004 1.00 0.00 H new ATOM 236 N ALA A 16 -8.351 8.179 3.597 1.00 0.00 N ATOM 237 CA ALA A 16 -8.133 7.017 2.751 1.00 0.00 C ATOM 238 C ALA A 16 -9.429 6.240 2.560 1.00 0.00 C ATOM 239 O ALA A 16 -10.151 5.973 3.523 1.00 0.00 O ATOM 240 CB ALA A 16 -7.063 6.116 3.349 1.00 0.00 C ATOM 0 H ALA A 16 -8.087 8.047 4.573 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.792 7.365 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.913 5.251 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.128 6.670 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.380 5.780 4.336 1.00 0.00 H new ATOM 246 N GLU A 17 -9.731 5.899 1.316 1.00 0.00 N ATOM 247 CA GLU A 17 -10.904 5.096 1.007 1.00 0.00 C ATOM 248 C GLU A 17 -10.520 3.951 0.072 1.00 0.00 C ATOM 249 O GLU A 17 -9.567 4.060 -0.705 1.00 0.00 O ATOM 250 CB GLU A 17 -12.012 5.961 0.389 1.00 0.00 C ATOM 251 CG GLU A 17 -13.318 5.211 0.177 1.00 0.00 C ATOM 252 CD GLU A 17 -14.473 6.121 -0.178 1.00 0.00 C ATOM 253 OE1 GLU A 17 -14.578 6.529 -1.351 1.00 0.00 O ATOM 254 OE2 GLU A 17 -15.296 6.417 0.716 1.00 0.00 O ATOM 0 H GLU A 17 -9.178 6.167 0.502 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.292 4.674 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.196 6.819 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.666 6.351 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.184 4.477 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.564 4.658 1.084 1.00 0.00 H new ATOM 261 N GLN A 18 -11.266 2.859 0.163 1.00 0.00 N ATOM 262 CA GLN A 18 -10.960 1.641 -0.572 1.00 0.00 C ATOM 263 C GLN A 18 -11.959 1.433 -1.702 1.00 0.00 C ATOM 264 O GLN A 18 -13.130 1.785 -1.573 1.00 0.00 O ATOM 265 CB GLN A 18 -10.998 0.450 0.384 1.00 0.00 C ATOM 266 CG GLN A 18 -10.034 0.584 1.546 1.00 0.00 C ATOM 267 CD GLN A 18 -10.393 -0.306 2.711 1.00 0.00 C ATOM 268 OE1 GLN A 18 -10.977 -1.373 2.545 1.00 0.00 O ATOM 269 NE2 GLN A 18 -10.048 0.141 3.905 1.00 0.00 N ATOM 0 H GLN A 18 -12.099 2.793 0.748 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.964 1.729 -1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.010 0.336 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.765 -0.459 -0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.027 0.341 1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.016 1.622 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.564 1.034 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.266 -0.407 4.737 1.00 0.00 H new ATOM 278 N SER A 19 -11.487 0.880 -2.807 1.00 0.00 N ATOM 279 CA SER A 19 -12.349 0.579 -3.938 1.00 0.00 C ATOM 280 C SER A 19 -11.781 -0.576 -4.755 1.00 0.00 C ATOM 281 O SER A 19 -10.615 -0.553 -5.147 1.00 0.00 O ATOM 282 CB SER A 19 -12.510 1.821 -4.820 1.00 0.00 C ATOM 283 OG SER A 19 -11.247 2.382 -5.153 1.00 0.00 O ATOM 0 H SER A 19 -10.508 0.630 -2.945 1.00 0.00 H new ATOM 0 HA SER A 19 -13.327 0.283 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.045 1.556 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.115 2.564 -4.300 1.00 0.00 H new ATOM 0 HG SER A 19 -11.046 2.199 -6.095 1.00 0.00 H new ATOM 289 N VAL A 20 -12.592 -1.595 -4.989 1.00 0.00 N ATOM 290 CA VAL A 20 -12.183 -2.698 -5.844 1.00 0.00 C ATOM 291 C VAL A 20 -12.356 -2.304 -7.308 1.00 0.00 C ATOM 292 O VAL A 20 -13.416 -1.837 -7.715 1.00 0.00 O ATOM 293 CB VAL A 20 -12.966 -4.003 -5.538 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.466 -3.752 -5.523 1.00 0.00 C ATOM 295 CG2 VAL A 20 -12.618 -5.093 -6.543 1.00 0.00 C ATOM 0 H VAL A 20 -13.532 -1.682 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.132 -2.904 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.669 -4.343 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.989 -4.684 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.704 -3.015 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.782 -3.377 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.179 -5.997 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.875 -4.757 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.550 -5.306 -6.494 1.00 0.00 H new ATOM 305 N HIS A 21 -11.295 -2.455 -8.080 1.00 0.00 N ATOM 306 CA HIS A 21 -11.321 -2.097 -9.488 1.00 0.00 C ATOM 307 C HIS A 21 -11.403 -3.354 -10.334 1.00 0.00 C ATOM 308 O HIS A 21 -10.743 -4.355 -10.042 1.00 0.00 O ATOM 309 CB HIS A 21 -10.089 -1.265 -9.863 1.00 0.00 C ATOM 310 CG HIS A 21 -10.095 0.114 -9.271 1.00 0.00 C ATOM 311 ND1 HIS A 21 -9.841 1.254 -10.002 1.00 0.00 N ATOM 312 CD2 HIS A 21 -10.326 0.531 -8.005 1.00 0.00 C ATOM 313 CE1 HIS A 21 -9.916 2.309 -9.210 1.00 0.00 C ATOM 314 NE2 HIS A 21 -10.210 1.897 -7.991 1.00 0.00 N ATOM 0 H HIS A 21 -10.401 -2.824 -7.755 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.203 -1.486 -9.680 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.192 -1.789 -9.533 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.031 -1.186 -10.949 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.628 1.280 -10.999 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.559 -0.098 -7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -9.763 3.335 -9.510 1.00 0.00 H new ATOM 323 N ASN A 22 -12.228 -3.307 -11.367 1.00 0.00 N ATOM 324 CA ASN A 22 -12.481 -4.481 -12.189 1.00 0.00 C ATOM 325 C ASN A 22 -11.348 -4.724 -13.179 1.00 0.00 C ATOM 326 O ASN A 22 -11.373 -4.230 -14.307 1.00 0.00 O ATOM 327 CB ASN A 22 -13.807 -4.355 -12.942 1.00 0.00 C ATOM 328 CG ASN A 22 -14.164 -5.627 -13.690 1.00 0.00 C ATOM 329 OD1 ASN A 22 -13.840 -6.732 -13.254 1.00 0.00 O ATOM 330 ND2 ASN A 22 -14.831 -5.481 -14.821 1.00 0.00 N ATOM 0 H ASN A 22 -12.734 -2.470 -11.657 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.540 -5.335 -11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.602 -4.115 -12.236 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.745 -3.526 -13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.096 -6.301 -15.366 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.081 -4.548 -15.149 1.00 0.00 H new ATOM 337 N ASP A 23 -10.343 -5.452 -12.729 1.00 0.00 N ATOM 338 CA ASP A 23 -9.267 -5.910 -13.596 1.00 0.00 C ATOM 339 C ASP A 23 -8.966 -7.378 -13.307 1.00 0.00 C ATOM 340 O ASP A 23 -9.286 -8.252 -14.109 1.00 0.00 O ATOM 341 CB ASP A 23 -8.008 -5.031 -13.450 1.00 0.00 C ATOM 342 CG ASP A 23 -7.685 -4.640 -12.014 1.00 0.00 C ATOM 343 OD1 ASP A 23 -7.201 -5.500 -11.248 1.00 0.00 O ATOM 344 OD2 ASP A 23 -7.887 -3.461 -11.659 1.00 0.00 O ATOM 0 H ASP A 23 -10.247 -5.743 -11.756 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.590 -5.819 -14.633 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.155 -5.564 -13.871 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.140 -4.125 -14.041 1.00 0.00 H new ATOM 349 N TRP A 24 -8.361 -7.643 -12.162 1.00 0.00 N ATOM 350 CA TRP A 24 -8.195 -9.000 -11.671 1.00 0.00 C ATOM 351 C TRP A 24 -8.110 -8.997 -10.149 1.00 0.00 C ATOM 352 O TRP A 24 -7.063 -9.265 -9.564 1.00 0.00 O ATOM 353 CB TRP A 24 -6.996 -9.730 -12.319 1.00 0.00 C ATOM 354 CG TRP A 24 -5.732 -8.925 -12.478 1.00 0.00 C ATOM 355 CD1 TRP A 24 -5.563 -7.798 -13.233 1.00 0.00 C ATOM 356 CD2 TRP A 24 -4.446 -9.223 -11.918 1.00 0.00 C ATOM 357 NE1 TRP A 24 -4.263 -7.363 -13.153 1.00 0.00 N ATOM 358 CE2 TRP A 24 -3.555 -8.223 -12.358 1.00 0.00 C ATOM 359 CE3 TRP A 24 -3.959 -10.232 -11.081 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -2.213 -8.204 -11.990 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -2.625 -10.212 -10.718 1.00 0.00 C ATOM 362 CH2 TRP A 24 -1.765 -9.204 -11.171 1.00 0.00 C ATOM 0 H TRP A 24 -7.972 -6.927 -11.549 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.076 -9.570 -11.967 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.767 -10.611 -11.720 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -7.302 -10.084 -13.303 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -6.340 -7.319 -13.810 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.886 -6.534 -13.612 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.614 -11.013 -10.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.549 -7.427 -12.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.239 -10.988 -10.073 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.728 -9.216 -10.868 1.00 0.00 H new ATOM 373 N LYS A 25 -9.242 -8.645 -9.531 1.00 0.00 N ATOM 374 CA LYS A 25 -9.394 -8.616 -8.075 1.00 0.00 C ATOM 375 C LYS A 25 -8.363 -7.694 -7.428 1.00 0.00 C ATOM 376 O LYS A 25 -7.390 -8.147 -6.822 1.00 0.00 O ATOM 377 CB LYS A 25 -9.302 -10.033 -7.491 1.00 0.00 C ATOM 378 CG LYS A 25 -9.832 -10.155 -6.070 1.00 0.00 C ATOM 379 CD LYS A 25 -9.716 -11.582 -5.557 1.00 0.00 C ATOM 380 CE LYS A 25 -10.397 -11.754 -4.209 1.00 0.00 C ATOM 381 NZ LYS A 25 -10.215 -13.127 -3.675 1.00 0.00 N ATOM 0 H LYS A 25 -10.086 -8.370 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.383 -8.216 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.857 -10.716 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.261 -10.354 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.277 -9.484 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.875 -9.839 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.162 -12.265 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.664 -11.853 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.991 -11.031 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.461 -11.540 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.953 -13.326 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.285 -13.814 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.279 -13.205 -3.228 1.00 0.00 H new ATOM 395 N ALA A 26 -8.578 -6.396 -7.572 1.00 0.00 N ATOM 396 CA ALA A 26 -7.671 -5.414 -7.013 1.00 0.00 C ATOM 397 C ALA A 26 -8.425 -4.360 -6.226 1.00 0.00 C ATOM 398 O ALA A 26 -9.188 -3.579 -6.792 1.00 0.00 O ATOM 399 CB ALA A 26 -6.870 -4.746 -8.117 1.00 0.00 C ATOM 0 H ALA A 26 -9.374 -6.001 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.993 -5.935 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.193 -4.011 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.292 -5.498 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.549 -4.249 -8.809 1.00 0.00 H new ATOM 405 N THR A 27 -8.218 -4.336 -4.926 1.00 0.00 N ATOM 406 CA THR A 27 -8.777 -3.277 -4.115 1.00 0.00 C ATOM 407 C THR A 27 -7.733 -2.183 -3.955 1.00 0.00 C ATOM 408 O THR A 27 -6.653 -2.411 -3.407 1.00 0.00 O ATOM 409 CB THR A 27 -9.233 -3.793 -2.736 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.113 -4.909 -2.911 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.948 -2.701 -1.959 1.00 0.00 C ATOM 0 H THR A 27 -7.673 -5.029 -4.414 1.00 0.00 H new ATOM 0 HA THR A 27 -9.661 -2.882 -4.615 1.00 0.00 H new ATOM 0 HB THR A 27 -8.352 -4.099 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.402 -5.238 -2.034 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.260 -3.089 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.273 -1.858 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.824 -2.372 -2.517 1.00 0.00 H new ATOM 419 N GLN A 28 -8.049 -1.008 -4.460 1.00 0.00 N ATOM 420 CA GLN A 28 -7.123 0.103 -4.432 1.00 0.00 C ATOM 421 C GLN A 28 -7.500 1.080 -3.333 1.00 0.00 C ATOM 422 O GLN A 28 -8.673 1.427 -3.167 1.00 0.00 O ATOM 423 CB GLN A 28 -7.099 0.805 -5.788 1.00 0.00 C ATOM 424 CG GLN A 28 -6.404 0.003 -6.876 1.00 0.00 C ATOM 425 CD GLN A 28 -6.588 0.616 -8.249 1.00 0.00 C ATOM 426 OE1 GLN A 28 -6.710 1.830 -8.385 1.00 0.00 O ATOM 427 NE2 GLN A 28 -6.620 -0.217 -9.277 1.00 0.00 N ATOM 0 H GLN A 28 -8.946 -0.798 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.125 -0.281 -4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.123 1.012 -6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.598 1.767 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.340 -0.065 -6.651 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.794 -1.015 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.515 -1.220 -9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.750 0.144 -10.222 1.00 0.00 H new ATOM 436 N ILE A 29 -6.501 1.504 -2.584 1.00 0.00 N ATOM 437 CA ILE A 29 -6.697 2.444 -1.500 1.00 0.00 C ATOM 438 C ILE A 29 -6.080 3.780 -1.875 1.00 0.00 C ATOM 439 O ILE A 29 -4.872 3.870 -2.124 1.00 0.00 O ATOM 440 CB ILE A 29 -6.064 1.935 -0.190 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.507 0.497 0.084 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.450 2.843 0.969 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.881 -0.111 1.319 1.00 0.00 C ATOM 0 H ILE A 29 -5.533 1.207 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.769 2.556 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.979 1.950 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.592 0.475 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.258 -0.120 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.996 2.472 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.096 3.855 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.535 2.853 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.244 -1.131 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.797 -0.123 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.151 0.482 2.193 1.00 0.00 H new ATOM 455 N LYS A 30 -6.909 4.806 -1.938 1.00 0.00 N ATOM 456 CA LYS A 30 -6.456 6.125 -2.333 1.00 0.00 C ATOM 457 C LYS A 30 -7.043 7.180 -1.415 1.00 0.00 C ATOM 458 O LYS A 30 -7.927 6.893 -0.610 1.00 0.00 O ATOM 459 CB LYS A 30 -6.872 6.432 -3.778 1.00 0.00 C ATOM 460 CG LYS A 30 -8.375 6.564 -3.956 1.00 0.00 C ATOM 461 CD LYS A 30 -8.720 7.397 -5.178 1.00 0.00 C ATOM 462 CE LYS A 30 -10.163 7.864 -5.122 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.454 8.905 -6.140 1.00 0.00 N ATOM 0 H LYS A 30 -7.904 4.749 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.368 6.141 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.393 7.357 -4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.504 5.640 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.819 5.573 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.809 7.023 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.056 8.259 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.558 6.810 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.825 7.012 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.377 8.259 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.483 9.012 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.040 9.810 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.043 8.623 -7.053 1.00 0.00 H new ATOM 477 N VAL A 31 -6.536 8.393 -1.534 1.00 0.00 N ATOM 478 CA VAL A 31 -7.141 9.532 -0.872 1.00 0.00 C ATOM 479 C VAL A 31 -8.093 10.196 -1.865 1.00 0.00 C ATOM 480 O VAL A 31 -8.811 9.508 -2.586 1.00 0.00 O ATOM 481 CB VAL A 31 -6.068 10.542 -0.394 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.593 11.386 0.760 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.791 9.822 0.013 1.00 0.00 C ATOM 0 H VAL A 31 -5.706 8.614 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.681 9.198 0.014 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.838 11.206 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.822 12.087 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.474 11.939 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.859 10.737 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.052 10.551 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.007 9.129 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.397 9.269 -0.840 1.00 0.00 H new ATOM 493 N GLU A 32 -8.085 11.515 -1.928 1.00 0.00 N ATOM 494 CA GLU A 32 -8.904 12.238 -2.893 1.00 0.00 C ATOM 495 C GLU A 32 -8.450 11.938 -4.322 1.00 0.00 C ATOM 496 O GLU A 32 -9.230 11.466 -5.151 1.00 0.00 O ATOM 497 CB GLU A 32 -8.829 13.740 -2.616 1.00 0.00 C ATOM 498 CG GLU A 32 -9.361 14.126 -1.246 1.00 0.00 C ATOM 499 CD GLU A 32 -10.875 14.212 -1.199 1.00 0.00 C ATOM 500 OE1 GLU A 32 -11.550 13.203 -1.480 1.00 0.00 O ATOM 501 OE2 GLU A 32 -11.394 15.307 -0.886 1.00 0.00 O ATOM 0 H GLU A 32 -7.521 12.111 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.938 11.908 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.793 14.067 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.395 14.272 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.021 13.395 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.939 15.088 -0.957 1.00 0.00 H new ATOM 508 N ASP A 33 -7.180 12.198 -4.602 1.00 0.00 N ATOM 509 CA ASP A 33 -6.645 11.998 -5.942 1.00 0.00 C ATOM 510 C ASP A 33 -5.408 11.107 -5.915 1.00 0.00 C ATOM 511 O ASP A 33 -4.950 10.632 -6.951 1.00 0.00 O ATOM 512 CB ASP A 33 -6.290 13.351 -6.559 1.00 0.00 C ATOM 513 CG ASP A 33 -6.006 13.273 -8.047 1.00 0.00 C ATOM 514 OD1 ASP A 33 -6.979 13.219 -8.833 1.00 0.00 O ATOM 515 OD2 ASP A 33 -4.823 13.288 -8.444 1.00 0.00 O ATOM 0 H ASP A 33 -6.504 12.546 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.408 11.504 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.111 14.047 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.416 13.757 -6.050 1.00 0.00 H new ATOM 520 N VAL A 34 -4.882 10.859 -4.723 1.00 0.00 N ATOM 521 CA VAL A 34 -3.611 10.156 -4.599 1.00 0.00 C ATOM 522 C VAL A 34 -3.811 8.670 -4.344 1.00 0.00 C ATOM 523 O VAL A 34 -4.277 8.274 -3.275 1.00 0.00 O ATOM 524 CB VAL A 34 -2.740 10.748 -3.469 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.377 10.066 -3.424 1.00 0.00 C ATOM 526 CG2 VAL A 34 -2.579 12.251 -3.646 1.00 0.00 C ATOM 0 H VAL A 34 -5.309 11.130 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.097 10.286 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.245 10.566 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.780 10.498 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.510 8.999 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.865 10.212 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.962 12.648 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.100 12.455 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.559 12.727 -3.621 1.00 0.00 H new ATOM 536 N LEU A 35 -3.470 7.856 -5.335 1.00 0.00 N ATOM 537 CA LEU A 35 -3.461 6.410 -5.169 1.00 0.00 C ATOM 538 C LEU A 35 -2.096 5.973 -4.643 1.00 0.00 C ATOM 539 O LEU A 35 -1.064 6.390 -5.179 1.00 0.00 O ATOM 540 CB LEU A 35 -3.757 5.717 -6.503 1.00 0.00 C ATOM 541 CG LEU A 35 -3.758 4.188 -6.460 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.886 3.680 -5.577 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.882 3.622 -7.866 1.00 0.00 C ATOM 0 H LEU A 35 -3.195 8.175 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.235 6.126 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.730 6.054 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.018 6.043 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.813 3.851 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.871 2.590 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.756 4.062 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.841 4.023 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.881 2.533 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.813 3.966 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.040 3.961 -8.470 1.00 0.00 H new ATOM 555 N PHE A 36 -2.078 5.158 -3.594 1.00 0.00 N ATOM 556 CA PHE A 36 -0.809 4.752 -2.992 1.00 0.00 C ATOM 557 C PHE A 36 -0.725 3.246 -2.738 1.00 0.00 C ATOM 558 O PHE A 36 0.371 2.707 -2.581 1.00 0.00 O ATOM 559 CB PHE A 36 -0.563 5.532 -1.690 1.00 0.00 C ATOM 560 CG PHE A 36 -1.687 5.453 -0.691 1.00 0.00 C ATOM 561 CD1 PHE A 36 -1.723 4.446 0.259 1.00 0.00 C ATOM 562 CD2 PHE A 36 -2.702 6.397 -0.698 1.00 0.00 C ATOM 563 CE1 PHE A 36 -2.748 4.381 1.181 1.00 0.00 C ATOM 564 CE2 PHE A 36 -3.731 6.335 0.222 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.754 5.326 1.162 1.00 0.00 C ATOM 0 H PHE A 36 -2.910 4.770 -3.148 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.027 4.991 -3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.348 5.156 -1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.386 6.579 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.940 3.703 0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.688 7.190 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.763 3.591 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.517 7.076 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.558 5.275 1.882 1.00 0.00 H new ATOM 575 N ALA A 37 -1.863 2.559 -2.706 1.00 0.00 N ATOM 576 CA ALA A 37 -1.866 1.134 -2.391 1.00 0.00 C ATOM 577 C ALA A 37 -2.887 0.363 -3.221 1.00 0.00 C ATOM 578 O ALA A 37 -3.994 0.840 -3.467 1.00 0.00 O ATOM 579 CB ALA A 37 -2.141 0.938 -0.909 1.00 0.00 C ATOM 0 H ALA A 37 -2.783 2.959 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.882 0.737 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.143 -0.127 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.366 1.435 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.112 1.365 -0.660 1.00 0.00 H new ATOM 585 N MET A 38 -2.500 -0.831 -3.648 1.00 0.00 N ATOM 586 CA MET A 38 -3.394 -1.739 -4.359 1.00 0.00 C ATOM 587 C MET A 38 -3.179 -3.160 -3.860 1.00 0.00 C ATOM 588 O MET A 38 -2.098 -3.721 -4.033 1.00 0.00 O ATOM 589 CB MET A 38 -3.134 -1.681 -5.874 1.00 0.00 C ATOM 590 CG MET A 38 -3.689 -2.876 -6.653 1.00 0.00 C ATOM 591 SD MET A 38 -2.993 -3.008 -8.313 1.00 0.00 S ATOM 592 CE MET A 38 -3.352 -1.385 -8.983 1.00 0.00 C ATOM 0 H MET A 38 -1.558 -1.199 -3.512 1.00 0.00 H new ATOM 0 HA MET A 38 -4.423 -1.433 -4.170 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.574 -0.767 -6.272 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.059 -1.618 -6.045 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.480 -3.793 -6.102 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.773 -2.787 -6.724 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.629 -1.478 -10.033 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.177 -0.937 -8.429 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.469 -0.752 -8.895 1.00 0.00 H new ATOM 602 N VAL A 39 -4.193 -3.743 -3.242 1.00 0.00 N ATOM 603 CA VAL A 39 -4.102 -5.131 -2.809 1.00 0.00 C ATOM 604 C VAL A 39 -4.607 -6.044 -3.918 1.00 0.00 C ATOM 605 O VAL A 39 -5.717 -5.872 -4.428 1.00 0.00 O ATOM 606 CB VAL A 39 -4.860 -5.396 -1.482 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.335 -5.050 -1.596 1.00 0.00 C ATOM 608 CG2 VAL A 39 -4.682 -6.843 -1.037 1.00 0.00 C ATOM 0 H VAL A 39 -5.079 -3.285 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.053 -5.348 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.427 -4.743 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.830 -5.250 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.443 -3.995 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.792 -5.657 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.222 -7.006 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.074 -7.511 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.623 -7.049 -0.883 1.00 0.00 H new ATOM 618 N LYS A 40 -3.772 -6.989 -4.309 1.00 0.00 N ATOM 619 CA LYS A 40 -4.055 -7.846 -5.444 1.00 0.00 C ATOM 620 C LYS A 40 -3.508 -9.245 -5.187 1.00 0.00 C ATOM 621 O LYS A 40 -2.343 -9.399 -4.826 1.00 0.00 O ATOM 622 CB LYS A 40 -3.402 -7.256 -6.698 1.00 0.00 C ATOM 623 CG LYS A 40 -3.706 -8.027 -7.966 1.00 0.00 C ATOM 624 CD LYS A 40 -4.635 -7.252 -8.886 1.00 0.00 C ATOM 625 CE LYS A 40 -3.956 -6.029 -9.480 1.00 0.00 C ATOM 626 NZ LYS A 40 -4.685 -5.518 -10.674 1.00 0.00 N ATOM 0 H LYS A 40 -2.882 -7.183 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.133 -7.910 -5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.738 -6.226 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.322 -7.224 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.776 -8.247 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.162 -8.983 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.976 -7.904 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.520 -6.942 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.897 -5.244 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.933 -6.281 -9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.550 -4.489 -10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.316 -5.979 -11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.699 -5.728 -10.578 1.00 0.00 H new ATOM 640 N GLU A 41 -4.338 -10.259 -5.367 1.00 0.00 N ATOM 641 CA GLU A 41 -3.892 -11.624 -5.149 1.00 0.00 C ATOM 642 C GLU A 41 -3.327 -12.222 -6.424 1.00 0.00 C ATOM 643 O GLU A 41 -4.053 -12.484 -7.384 1.00 0.00 O ATOM 644 CB GLU A 41 -5.023 -12.504 -4.622 1.00 0.00 C ATOM 645 CG GLU A 41 -5.474 -12.141 -3.224 1.00 0.00 C ATOM 646 CD GLU A 41 -6.463 -13.138 -2.659 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.667 -13.027 -2.961 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.045 -14.040 -1.907 1.00 0.00 O ATOM 0 H GLU A 41 -5.311 -10.165 -5.659 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.104 -11.588 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.874 -12.431 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.697 -13.544 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.605 -12.084 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.929 -11.150 -3.238 1.00 0.00 H new ATOM 655 N VAL A 42 -2.028 -12.433 -6.418 1.00 0.00 N ATOM 656 CA VAL A 42 -1.352 -13.127 -7.492 1.00 0.00 C ATOM 657 C VAL A 42 -0.646 -14.341 -6.899 1.00 0.00 C ATOM 658 O VAL A 42 -0.125 -14.271 -5.782 1.00 0.00 O ATOM 659 CB VAL A 42 -0.363 -12.203 -8.243 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.599 -11.532 -7.278 1.00 0.00 C ATOM 661 CG2 VAL A 42 0.404 -12.971 -9.313 1.00 0.00 C ATOM 0 H VAL A 42 -1.410 -12.127 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.082 -13.449 -8.235 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.949 -11.427 -8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.282 -10.889 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.037 -10.932 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.169 -12.293 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.091 -12.296 -9.824 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.968 -13.779 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.298 -13.388 -10.035 1.00 0.00 H new ATOM 671 N GLU A 43 -0.693 -15.463 -7.618 1.00 0.00 N ATOM 672 CA GLU A 43 -0.262 -16.753 -7.082 1.00 0.00 C ATOM 673 C GLU A 43 -1.213 -17.167 -5.954 1.00 0.00 C ATOM 674 O GLU A 43 -0.912 -18.047 -5.143 1.00 0.00 O ATOM 675 CB GLU A 43 1.197 -16.700 -6.598 1.00 0.00 C ATOM 676 CG GLU A 43 2.192 -16.355 -7.703 1.00 0.00 C ATOM 677 CD GLU A 43 3.633 -16.352 -7.229 1.00 0.00 C ATOM 678 OE1 GLU A 43 4.254 -17.439 -7.191 1.00 0.00 O ATOM 679 OE2 GLU A 43 4.160 -15.264 -6.910 1.00 0.00 O ATOM 0 H GLU A 43 -1.028 -15.503 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.300 -17.501 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.281 -15.961 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.464 -17.665 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.085 -17.073 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.948 -15.374 -8.110 1.00 0.00 H new ATOM 686 N ASN A 44 -2.378 -16.506 -5.937 1.00 0.00 N ATOM 687 CA ASN A 44 -3.450 -16.757 -4.972 1.00 0.00 C ATOM 688 C ASN A 44 -3.008 -16.512 -3.531 1.00 0.00 C ATOM 689 O ASN A 44 -3.569 -17.089 -2.599 1.00 0.00 O ATOM 690 CB ASN A 44 -4.012 -18.172 -5.121 1.00 0.00 C ATOM 691 CG ASN A 44 -4.753 -18.367 -6.430 1.00 0.00 C ATOM 692 OD1 ASN A 44 -5.294 -17.421 -6.999 1.00 0.00 O ATOM 693 ND2 ASN A 44 -4.797 -19.599 -6.909 1.00 0.00 N ATOM 0 H ASN A 44 -2.603 -15.770 -6.606 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.240 -16.041 -5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.196 -18.892 -5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.686 -18.381 -4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.292 -19.790 -7.780 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.335 -20.358 -6.408 1.00 0.00 H new ATOM 700 N ARG A 45 -2.011 -15.661 -3.349 1.00 0.00 N ATOM 701 CA ARG A 45 -1.661 -15.187 -2.018 1.00 0.00 C ATOM 702 C ARG A 45 -1.927 -13.697 -1.921 1.00 0.00 C ATOM 703 O ARG A 45 -1.628 -12.949 -2.852 1.00 0.00 O ATOM 704 CB ARG A 45 -0.203 -15.485 -1.650 1.00 0.00 C ATOM 705 CG ARG A 45 -0.005 -16.855 -1.019 1.00 0.00 C ATOM 706 CD ARG A 45 0.402 -17.898 -2.041 1.00 0.00 C ATOM 707 NE ARG A 45 1.810 -17.773 -2.415 1.00 0.00 N ATOM 708 CZ ARG A 45 2.364 -18.384 -3.458 1.00 0.00 C ATOM 709 NH1 ARG A 45 1.630 -19.137 -4.264 1.00 0.00 N ATOM 710 NH2 ARG A 45 3.661 -18.238 -3.692 1.00 0.00 N ATOM 0 H ARG A 45 -1.432 -15.286 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.285 -15.726 -1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.412 -15.415 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.153 -14.721 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.758 -16.790 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.929 -17.166 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.221 -18.894 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.220 -17.798 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 45 2.406 -17.179 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.632 -19.251 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.063 -19.602 -5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.229 -17.659 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.091 -18.705 -4.491 1.00 0.00 H new ATOM 724 N PRO A 46 -2.525 -13.255 -0.805 1.00 0.00 N ATOM 725 CA PRO A 46 -2.801 -11.840 -0.562 1.00 0.00 C ATOM 726 C PRO A 46 -1.529 -11.004 -0.597 1.00 0.00 C ATOM 727 O PRO A 46 -0.571 -11.275 0.129 1.00 0.00 O ATOM 728 CB PRO A 46 -3.427 -11.818 0.840 1.00 0.00 C ATOM 729 CG PRO A 46 -3.077 -13.133 1.447 1.00 0.00 C ATOM 730 CD PRO A 46 -2.988 -14.100 0.305 1.00 0.00 C ATOM 0 HA PRO A 46 -3.451 -11.413 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.033 -10.993 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.507 -11.685 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.131 -13.076 1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.834 -13.446 2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.289 -14.910 0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.953 -14.559 0.088 1.00 0.00 H new ATOM 738 N ALA A 47 -1.511 -10.002 -1.454 1.00 0.00 N ATOM 739 CA ALA A 47 -0.334 -9.179 -1.622 1.00 0.00 C ATOM 740 C ALA A 47 -0.725 -7.732 -1.895 1.00 0.00 C ATOM 741 O ALA A 47 -1.730 -7.470 -2.555 1.00 0.00 O ATOM 742 CB ALA A 47 0.526 -9.739 -2.746 1.00 0.00 C ATOM 0 H ALA A 47 -2.300 -9.740 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 47 0.247 -9.194 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.412 -9.117 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.829 -10.757 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.046 -9.745 -3.674 1.00 0.00 H new ATOM 748 N VAL A 48 0.055 -6.798 -1.379 1.00 0.00 N ATOM 749 CA VAL A 48 -0.238 -5.384 -1.547 1.00 0.00 C ATOM 750 C VAL A 48 0.880 -4.683 -2.319 1.00 0.00 C ATOM 751 O VAL A 48 2.060 -4.830 -2.003 1.00 0.00 O ATOM 752 CB VAL A 48 -0.471 -4.686 -0.182 1.00 0.00 C ATOM 753 CG1 VAL A 48 0.734 -4.844 0.738 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.809 -3.217 -0.381 1.00 0.00 C ATOM 0 H VAL A 48 0.898 -6.993 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.159 -5.309 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.319 -5.173 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.536 -4.343 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.917 -5.903 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.611 -4.399 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.969 -2.746 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.014 -2.721 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.715 -3.130 -0.980 1.00 0.00 H new ATOM 764 N SER A 49 0.502 -3.949 -3.352 1.00 0.00 N ATOM 765 CA SER A 49 1.454 -3.201 -4.154 1.00 0.00 C ATOM 766 C SER A 49 1.542 -1.767 -3.649 1.00 0.00 C ATOM 767 O SER A 49 0.518 -1.102 -3.476 1.00 0.00 O ATOM 768 CB SER A 49 1.028 -3.222 -5.624 1.00 0.00 C ATOM 769 OG SER A 49 0.772 -4.551 -6.058 1.00 0.00 O ATOM 0 H SER A 49 -0.467 -3.855 -3.657 1.00 0.00 H new ATOM 0 HA SER A 49 2.437 -3.664 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.134 -2.613 -5.757 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.810 -2.778 -6.240 1.00 0.00 H new ATOM 0 HG SER A 49 1.622 -5.019 -6.198 1.00 0.00 H new ATOM 775 N LEU A 50 2.758 -1.306 -3.393 1.00 0.00 N ATOM 776 CA LEU A 50 2.971 0.041 -2.886 1.00 0.00 C ATOM 777 C LEU A 50 3.351 0.979 -4.019 1.00 0.00 C ATOM 778 O LEU A 50 3.827 0.541 -5.067 1.00 0.00 O ATOM 779 CB LEU A 50 4.057 0.070 -1.800 1.00 0.00 C ATOM 780 CG LEU A 50 3.679 -0.564 -0.452 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.577 -2.080 -0.551 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.690 -0.175 0.612 1.00 0.00 C ATOM 0 H LEU A 50 3.613 -1.846 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 50 2.035 0.375 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.940 -0.440 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.340 1.108 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 50 2.697 -0.184 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.308 -2.491 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.813 -2.346 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.537 -2.490 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.411 -0.630 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.680 -0.525 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.706 0.910 0.720 1.00 0.00 H new ATOM 794 N LYS A 51 3.126 2.268 -3.800 1.00 0.00 N ATOM 795 CA LYS A 51 3.428 3.289 -4.794 1.00 0.00 C ATOM 796 C LYS A 51 4.928 3.329 -5.088 1.00 0.00 C ATOM 797 O LYS A 51 5.349 3.229 -6.243 1.00 0.00 O ATOM 798 CB LYS A 51 2.950 4.653 -4.292 1.00 0.00 C ATOM 799 CG LYS A 51 2.879 5.721 -5.368 1.00 0.00 C ATOM 800 CD LYS A 51 2.364 7.032 -4.804 1.00 0.00 C ATOM 801 CE LYS A 51 2.018 8.014 -5.907 1.00 0.00 C ATOM 802 NZ LYS A 51 0.940 7.493 -6.790 1.00 0.00 N ATOM 0 H LYS A 51 2.731 2.634 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 51 2.906 3.044 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.963 4.538 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.620 4.992 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.868 5.871 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.226 5.387 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.481 6.844 -4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.118 7.469 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.702 8.960 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.907 8.221 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.442 8.289 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.356 6.888 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.267 6.937 -6.225 1.00 0.00 H new ATOM 816 N THR A 52 5.727 3.486 -4.038 1.00 0.00 N ATOM 817 CA THR A 52 7.178 3.473 -4.163 1.00 0.00 C ATOM 818 C THR A 52 7.841 3.486 -2.779 1.00 0.00 C ATOM 819 O THR A 52 8.483 2.510 -2.398 1.00 0.00 O ATOM 820 CB THR A 52 7.700 4.640 -5.051 1.00 0.00 C ATOM 821 OG1 THR A 52 9.132 4.664 -5.056 1.00 0.00 O ATOM 822 CG2 THR A 52 7.159 5.996 -4.607 1.00 0.00 C ATOM 0 H THR A 52 5.390 3.625 -3.085 1.00 0.00 H new ATOM 0 HA THR A 52 7.454 2.547 -4.667 1.00 0.00 H new ATOM 0 HB THR A 52 7.335 4.457 -6.062 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.445 5.402 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.553 6.776 -5.259 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.071 5.990 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.466 6.192 -3.580 1.00 0.00 H new ATOM 830 N SER A 53 7.652 4.578 -2.032 1.00 0.00 N ATOM 831 CA SER A 53 8.178 4.722 -0.671 1.00 0.00 C ATOM 832 C SER A 53 9.716 4.788 -0.651 1.00 0.00 C ATOM 833 O SER A 53 10.400 3.990 -1.289 1.00 0.00 O ATOM 834 CB SER A 53 7.668 3.586 0.216 1.00 0.00 C ATOM 835 OG SER A 53 6.262 3.414 0.072 1.00 0.00 O ATOM 0 H SER A 53 7.127 5.391 -2.356 1.00 0.00 H new ATOM 0 HA SER A 53 7.814 5.669 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.179 2.659 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.906 3.799 1.258 1.00 0.00 H new ATOM 0 HG SER A 53 5.961 2.681 0.649 1.00 0.00 H new ATOM 841 N PRO A 54 10.280 5.760 0.086 1.00 0.00 N ATOM 842 CA PRO A 54 11.733 5.969 0.139 1.00 0.00 C ATOM 843 C PRO A 54 12.485 4.770 0.724 1.00 0.00 C ATOM 844 O PRO A 54 13.351 4.191 0.059 1.00 0.00 O ATOM 845 CB PRO A 54 11.901 7.210 1.024 1.00 0.00 C ATOM 846 CG PRO A 54 10.617 7.348 1.771 1.00 0.00 C ATOM 847 CD PRO A 54 9.548 6.736 0.909 1.00 0.00 C ATOM 0 HA PRO A 54 12.153 6.094 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.742 7.093 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.101 8.096 0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.674 6.842 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.398 8.396 1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.776 6.255 1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.051 7.486 0.294 1.00 0.00 H new ATOM 855 N GLU A 55 12.143 4.385 1.953 1.00 0.00 N ATOM 856 CA GLU A 55 12.800 3.257 2.611 1.00 0.00 C ATOM 857 C GLU A 55 12.471 1.948 1.905 1.00 0.00 C ATOM 858 O GLU A 55 13.289 1.027 1.873 1.00 0.00 O ATOM 859 CB GLU A 55 12.389 3.169 4.083 1.00 0.00 C ATOM 860 CG GLU A 55 13.211 4.050 5.014 1.00 0.00 C ATOM 861 CD GLU A 55 13.284 5.493 4.561 1.00 0.00 C ATOM 862 OE1 GLU A 55 12.242 6.178 4.573 1.00 0.00 O ATOM 863 OE2 GLU A 55 14.391 5.947 4.200 1.00 0.00 O ATOM 0 H GLU A 55 11.418 4.836 2.511 1.00 0.00 H new ATOM 0 HA GLU A 55 13.876 3.424 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.339 3.446 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.475 2.133 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.780 4.012 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.221 3.647 5.087 1.00 0.00 H new ATOM 870 N LEU A 56 11.275 1.871 1.334 1.00 0.00 N ATOM 871 CA LEU A 56 10.852 0.673 0.621 1.00 0.00 C ATOM 872 C LEU A 56 11.669 0.481 -0.646 1.00 0.00 C ATOM 873 O LEU A 56 12.018 -0.638 -0.985 1.00 0.00 O ATOM 874 CB LEU A 56 9.360 0.716 0.285 1.00 0.00 C ATOM 875 CG LEU A 56 8.419 0.200 1.382 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.725 -1.254 1.702 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.515 1.053 2.639 1.00 0.00 C ATOM 0 H LEU A 56 10.584 2.621 1.351 1.00 0.00 H new ATOM 0 HA LEU A 56 11.025 -0.176 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.088 1.745 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.192 0.130 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 56 7.398 0.270 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.049 -1.605 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.591 -1.860 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.755 -1.341 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.836 0.662 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.536 1.028 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.241 2.081 2.403 1.00 0.00 H new ATOM 889 N ALA A 57 11.981 1.574 -1.333 1.00 0.00 N ATOM 890 CA ALA A 57 12.820 1.508 -2.525 1.00 0.00 C ATOM 891 C ALA A 57 14.162 0.862 -2.195 1.00 0.00 C ATOM 892 O ALA A 57 14.652 0.010 -2.936 1.00 0.00 O ATOM 893 CB ALA A 57 13.024 2.895 -3.117 1.00 0.00 C ATOM 0 H ALA A 57 11.667 2.513 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 57 12.314 0.893 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.652 2.823 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.058 3.320 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.508 3.537 -2.381 1.00 0.00 H new ATOM 899 N GLU A 58 14.739 1.264 -1.067 1.00 0.00 N ATOM 900 CA GLU A 58 15.970 0.660 -0.577 1.00 0.00 C ATOM 901 C GLU A 58 15.749 -0.815 -0.284 1.00 0.00 C ATOM 902 O GLU A 58 16.494 -1.675 -0.746 1.00 0.00 O ATOM 903 CB GLU A 58 16.431 1.360 0.698 1.00 0.00 C ATOM 904 CG GLU A 58 16.716 2.839 0.526 1.00 0.00 C ATOM 905 CD GLU A 58 17.653 3.126 -0.628 1.00 0.00 C ATOM 906 OE1 GLU A 58 18.843 2.754 -0.545 1.00 0.00 O ATOM 907 OE2 GLU A 58 17.203 3.740 -1.622 1.00 0.00 O ATOM 0 H GLU A 58 14.371 2.008 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 58 16.735 0.768 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.666 1.235 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.332 0.868 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.777 3.369 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.150 3.230 1.446 1.00 0.00 H new ATOM 914 N LEU A 59 14.704 -1.084 0.485 1.00 0.00 N ATOM 915 CA LEU A 59 14.317 -2.441 0.856 1.00 0.00 C ATOM 916 C LEU A 59 14.176 -3.333 -0.381 1.00 0.00 C ATOM 917 O LEU A 59 14.713 -4.441 -0.422 1.00 0.00 O ATOM 918 CB LEU A 59 12.999 -2.374 1.646 1.00 0.00 C ATOM 919 CG LEU A 59 12.450 -3.702 2.179 1.00 0.00 C ATOM 920 CD1 LEU A 59 11.603 -3.456 3.417 1.00 0.00 C ATOM 921 CD2 LEU A 59 11.616 -4.407 1.119 1.00 0.00 C ATOM 0 H LEU A 59 14.095 -0.363 0.873 1.00 0.00 H new ATOM 0 HA LEU A 59 15.093 -2.885 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.142 -1.701 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.240 -1.924 1.005 1.00 0.00 H new ATOM 0 HG LEU A 59 13.294 -4.341 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.217 -4.405 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.213 -2.986 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.770 -2.800 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.237 -5.347 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.779 -3.771 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.234 -4.609 0.244 1.00 0.00 H new ATOM 933 N LEU A 60 13.471 -2.830 -1.389 1.00 0.00 N ATOM 934 CA LEU A 60 13.230 -3.577 -2.623 1.00 0.00 C ATOM 935 C LEU A 60 14.532 -3.852 -3.365 1.00 0.00 C ATOM 936 O LEU A 60 14.664 -4.863 -4.049 1.00 0.00 O ATOM 937 CB LEU A 60 12.278 -2.800 -3.533 1.00 0.00 C ATOM 938 CG LEU A 60 10.889 -2.529 -2.949 1.00 0.00 C ATOM 939 CD1 LEU A 60 10.121 -1.555 -3.830 1.00 0.00 C ATOM 940 CD2 LEU A 60 10.112 -3.829 -2.781 1.00 0.00 C ATOM 0 H LEU A 60 13.052 -1.900 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 60 12.778 -4.531 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.741 -1.846 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.161 -3.353 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 60 11.013 -2.078 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.136 -1.374 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.667 -0.614 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.009 -1.978 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.128 -3.614 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.998 -4.312 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.654 -4.492 -2.107 1.00 0.00 H new ATOM 952 N ARG A 61 15.476 -2.931 -3.253 1.00 0.00 N ATOM 953 CA ARG A 61 16.784 -3.091 -3.878 1.00 0.00 C ATOM 954 C ARG A 61 17.661 -4.062 -3.088 1.00 0.00 C ATOM 955 O ARG A 61 18.542 -4.709 -3.652 1.00 0.00 O ATOM 956 CB ARG A 61 17.477 -1.732 -4.024 1.00 0.00 C ATOM 957 CG ARG A 61 17.179 -1.024 -5.342 1.00 0.00 C ATOM 958 CD ARG A 61 15.694 -1.030 -5.673 1.00 0.00 C ATOM 959 NE ARG A 61 15.394 -0.262 -6.880 1.00 0.00 N ATOM 960 CZ ARG A 61 15.033 -0.804 -8.046 1.00 0.00 C ATOM 961 NH1 ARG A 61 14.975 -2.126 -8.188 1.00 0.00 N ATOM 962 NH2 ARG A 61 14.746 -0.011 -9.075 1.00 0.00 N ATOM 0 H ARG A 61 15.362 -2.061 -2.733 1.00 0.00 H new ATOM 0 HA ARG A 61 16.633 -3.513 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 61 17.170 -1.088 -3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 61 18.554 -1.873 -3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 61 17.534 0.005 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 61 17.731 -1.510 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.357 -2.058 -5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.135 -0.617 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 61 15.465 0.754 -6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.207 -2.734 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.698 -2.531 -9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.803 1.002 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.469 -0.416 -9.969 1.00 0.00 H new ATOM 976 N GLN A 62 17.416 -4.159 -1.786 1.00 0.00 N ATOM 977 CA GLN A 62 18.197 -5.041 -0.921 1.00 0.00 C ATOM 978 C GLN A 62 17.697 -6.484 -0.989 1.00 0.00 C ATOM 979 O GLN A 62 18.500 -7.415 -1.101 1.00 0.00 O ATOM 980 CB GLN A 62 18.177 -4.531 0.527 1.00 0.00 C ATOM 981 CG GLN A 62 19.408 -3.716 0.910 1.00 0.00 C ATOM 982 CD GLN A 62 19.648 -2.525 -0.001 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.315 -2.641 -1.027 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.125 -1.367 0.376 1.00 0.00 N ATOM 0 H GLN A 62 16.683 -3.638 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 62 19.225 -5.031 -1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.287 -3.919 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.093 -5.383 1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.297 -3.364 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.285 -4.363 0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.577 -1.310 1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.270 -0.533 -0.192 1.00 0.00 H new ATOM 993 N GLN A 63 16.376 -6.661 -0.918 1.00 0.00 N ATOM 994 CA GLN A 63 15.754 -7.983 -1.031 1.00 0.00 C ATOM 995 C GLN A 63 16.250 -8.926 0.071 1.00 0.00 C ATOM 996 O GLN A 63 16.650 -8.478 1.154 1.00 0.00 O ATOM 997 CB GLN A 63 16.051 -8.589 -2.406 1.00 0.00 C ATOM 998 CG GLN A 63 15.510 -7.770 -3.567 1.00 0.00 C ATOM 999 CD GLN A 63 15.870 -8.361 -4.914 1.00 0.00 C ATOM 1000 OE1 GLN A 63 16.001 -9.677 -4.966 1.00 0.00 O flip ATOM 1001 NE2 GLN A 63 16.032 -7.641 -5.902 1.00 0.00 N flip ATOM 0 H GLN A 63 15.712 -5.899 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 63 14.677 -7.859 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 63 17.130 -8.696 -2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.625 -9.591 -2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.425 -7.700 -3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.901 -6.754 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.922 -6.630 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.276 -8.056 -6.801 1.00 0.00 H new ATOM 1010 N HIS A 64 16.176 -10.233 -0.205 1.00 0.00 N ATOM 1011 CA HIS A 64 16.739 -11.274 0.660 1.00 0.00 C ATOM 1012 C HIS A 64 15.885 -11.505 1.907 1.00 0.00 C ATOM 1013 O HIS A 64 15.269 -12.559 2.056 1.00 0.00 O ATOM 1014 CB HIS A 64 18.193 -10.941 1.035 1.00 0.00 C ATOM 1015 CG HIS A 64 18.855 -11.945 1.928 1.00 0.00 C ATOM 1016 ND1 HIS A 64 19.731 -11.588 2.927 1.00 0.00 N ATOM 1017 CD2 HIS A 64 18.778 -13.296 1.962 1.00 0.00 C ATOM 1018 CE1 HIS A 64 20.162 -12.673 3.537 1.00 0.00 C ATOM 1019 NE2 HIS A 64 19.599 -13.723 2.975 1.00 0.00 N ATOM 0 H HIS A 64 15.721 -10.600 -1.041 1.00 0.00 H new ATOM 0 HA HIS A 64 16.736 -12.207 0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 64 18.778 -10.848 0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 64 18.213 -9.968 1.527 1.00 0.00 H new ATOM 0 HD2 HIS A 64 18.182 -13.921 1.313 1.00 0.00 H new ATOM 0 HE1 HIS A 64 20.860 -12.698 4.360 1.00 0.00 H new ATOM 0 HE2 HIS A 64 19.749 -14.694 3.248 1.00 0.00 H new ATOM 1028 N SER A 65 15.847 -10.531 2.797 1.00 0.00 N ATOM 1029 CA SER A 65 15.104 -10.678 4.040 1.00 0.00 C ATOM 1030 C SER A 65 13.682 -10.153 3.890 1.00 0.00 C ATOM 1031 O SER A 65 12.736 -10.732 4.429 1.00 0.00 O ATOM 1032 CB SER A 65 15.824 -9.960 5.181 1.00 0.00 C ATOM 1033 OG SER A 65 17.090 -10.554 5.432 1.00 0.00 O ATOM 0 H SER A 65 16.318 -9.633 2.686 1.00 0.00 H new ATOM 0 HA SER A 65 15.048 -11.740 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.955 -8.908 4.929 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.214 -9.999 6.083 1.00 0.00 H new ATOM 0 HG SER A 65 17.535 -10.079 6.164 1.00 0.00 H new ATOM 1039 N ASP A 66 13.534 -9.078 3.129 1.00 0.00 N ATOM 1040 CA ASP A 66 12.230 -8.461 2.930 1.00 0.00 C ATOM 1041 C ASP A 66 11.855 -8.457 1.453 1.00 0.00 C ATOM 1042 O ASP A 66 12.583 -7.905 0.625 1.00 0.00 O ATOM 1043 CB ASP A 66 12.210 -7.024 3.466 1.00 0.00 C ATOM 1044 CG ASP A 66 12.180 -6.942 4.979 1.00 0.00 C ATOM 1045 OD1 ASP A 66 13.259 -7.024 5.608 1.00 0.00 O ATOM 1046 OD2 ASP A 66 11.085 -6.761 5.546 1.00 0.00 O ATOM 0 H ASP A 66 14.300 -8.615 2.640 1.00 0.00 H new ATOM 0 HA ASP A 66 11.501 -9.052 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.090 -6.496 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.338 -6.507 3.065 1.00 0.00 H new ATOM 1051 N VAL A 67 10.719 -9.088 1.144 1.00 0.00 N ATOM 1052 CA VAL A 67 10.138 -9.080 -0.205 1.00 0.00 C ATOM 1053 C VAL A 67 10.938 -9.936 -1.199 1.00 0.00 C ATOM 1054 O VAL A 67 12.167 -9.989 -1.167 1.00 0.00 O ATOM 1055 CB VAL A 67 9.991 -7.635 -0.750 1.00 0.00 C ATOM 1056 CG1 VAL A 67 9.459 -7.630 -2.178 1.00 0.00 C ATOM 1057 CG2 VAL A 67 9.079 -6.815 0.153 1.00 0.00 C ATOM 0 H VAL A 67 10.174 -9.620 1.822 1.00 0.00 H new ATOM 0 HA VAL A 67 9.148 -9.525 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 67 10.982 -7.182 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.368 -6.602 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.147 -8.175 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.481 -8.110 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.987 -5.804 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.094 -7.280 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.502 -6.773 1.157 1.00 0.00 H new ATOM 1067 N ARG A 68 10.211 -10.628 -2.068 1.00 0.00 N ATOM 1068 CA ARG A 68 10.818 -11.395 -3.141 1.00 0.00 C ATOM 1069 C ARG A 68 10.226 -10.951 -4.480 1.00 0.00 C ATOM 1070 O ARG A 68 9.111 -10.430 -4.507 1.00 0.00 O ATOM 1071 CB ARG A 68 10.644 -12.910 -2.904 1.00 0.00 C ATOM 1072 CG ARG A 68 9.223 -13.367 -2.580 1.00 0.00 C ATOM 1073 CD ARG A 68 8.362 -13.526 -3.825 1.00 0.00 C ATOM 1074 NE ARG A 68 7.127 -14.260 -3.543 1.00 0.00 N ATOM 1075 CZ ARG A 68 6.190 -14.522 -4.453 1.00 0.00 C ATOM 1076 NH1 ARG A 68 6.305 -14.058 -5.689 1.00 0.00 N ATOM 1077 NH2 ARG A 68 5.123 -15.243 -4.130 1.00 0.00 N ATOM 0 H ARG A 68 9.192 -10.671 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 68 11.891 -11.204 -3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.983 -13.440 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.299 -13.209 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.263 -14.317 -2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.757 -12.645 -1.910 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.117 -12.542 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.929 -14.051 -4.594 1.00 0.00 H new ATOM 0 HE ARG A 68 6.975 -14.591 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.115 -13.496 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.583 -14.263 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.017 -15.600 -3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.409 -15.440 -4.831 1.00 0.00 H new ATOM 1091 N PRO A 69 10.977 -11.131 -5.591 1.00 0.00 N ATOM 1092 CA PRO A 69 10.587 -10.662 -6.931 1.00 0.00 C ATOM 1093 C PRO A 69 9.099 -10.834 -7.244 1.00 0.00 C ATOM 1094 O PRO A 69 8.602 -11.954 -7.398 1.00 0.00 O ATOM 1095 CB PRO A 69 11.430 -11.536 -7.852 1.00 0.00 C ATOM 1096 CG PRO A 69 12.677 -11.798 -7.082 1.00 0.00 C ATOM 1097 CD PRO A 69 12.287 -11.813 -5.624 1.00 0.00 C ATOM 0 HA PRO A 69 10.752 -9.590 -7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.914 -12.464 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.644 -11.029 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.120 -12.750 -7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.422 -11.026 -7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.215 -12.831 -5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.022 -11.293 -5.010 1.00 0.00 H new ATOM 1105 N SER A 70 8.399 -9.706 -7.331 1.00 0.00 N ATOM 1106 CA SER A 70 6.978 -9.699 -7.636 1.00 0.00 C ATOM 1107 C SER A 70 6.753 -9.654 -9.146 1.00 0.00 C ATOM 1108 O SER A 70 6.938 -8.613 -9.781 1.00 0.00 O ATOM 1109 CB SER A 70 6.310 -8.498 -6.958 1.00 0.00 C ATOM 1110 OG SER A 70 6.971 -7.287 -7.289 1.00 0.00 O ATOM 0 H SER A 70 8.801 -8.779 -7.192 1.00 0.00 H new ATOM 0 HA SER A 70 6.530 -10.617 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.265 -8.440 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.319 -8.636 -5.877 1.00 0.00 H new ATOM 0 HG SER A 70 7.102 -7.241 -8.259 1.00 0.00 H new ATOM 1116 N ARG A 71 6.345 -10.778 -9.712 1.00 0.00 N ATOM 1117 CA ARG A 71 6.183 -10.898 -11.155 1.00 0.00 C ATOM 1118 C ARG A 71 4.730 -10.627 -11.543 1.00 0.00 C ATOM 1119 O ARG A 71 4.111 -11.391 -12.280 1.00 0.00 O ATOM 1120 CB ARG A 71 6.614 -12.299 -11.596 1.00 0.00 C ATOM 1121 CG ARG A 71 7.118 -12.376 -13.025 1.00 0.00 C ATOM 1122 CD ARG A 71 7.669 -13.757 -13.325 1.00 0.00 C ATOM 1123 NE ARG A 71 8.346 -13.823 -14.616 1.00 0.00 N ATOM 1124 CZ ARG A 71 9.580 -14.303 -14.775 1.00 0.00 C ATOM 1125 NH1 ARG A 71 10.274 -14.723 -13.724 1.00 0.00 N ATOM 1126 NH2 ARG A 71 10.125 -14.361 -15.981 1.00 0.00 N ATOM 0 H ARG A 71 6.118 -11.626 -9.192 1.00 0.00 H new ATOM 0 HA ARG A 71 6.810 -10.162 -11.658 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.398 -12.653 -10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.769 -12.979 -11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.307 -12.145 -13.715 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.894 -11.627 -13.183 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.366 -14.045 -12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.854 -14.481 -13.309 1.00 0.00 H new ATOM 0 HE ARG A 71 7.849 -13.484 -15.440 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.864 -14.679 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.218 -15.090 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.600 -14.038 -16.794 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.069 -14.729 -16.097 1.00 0.00 H new ATOM 1140 N HIS A 72 4.198 -9.519 -11.043 1.00 0.00 N ATOM 1141 CA HIS A 72 2.790 -9.180 -11.242 1.00 0.00 C ATOM 1142 C HIS A 72 2.597 -8.242 -12.444 1.00 0.00 C ATOM 1143 O HIS A 72 1.765 -8.497 -13.311 1.00 0.00 O ATOM 1144 CB HIS A 72 2.206 -8.547 -9.962 1.00 0.00 C ATOM 1145 CG HIS A 72 2.840 -7.240 -9.566 1.00 0.00 C ATOM 1146 ND1 HIS A 72 2.155 -6.043 -9.556 1.00 0.00 N ATOM 1147 CD2 HIS A 72 4.108 -6.945 -9.183 1.00 0.00 C ATOM 1148 CE1 HIS A 72 2.975 -5.073 -9.190 1.00 0.00 C ATOM 1149 NE2 HIS A 72 4.164 -5.594 -8.958 1.00 0.00 N ATOM 0 H HIS A 72 4.720 -8.836 -10.494 1.00 0.00 H new ATOM 0 HA HIS A 72 2.252 -10.104 -11.457 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.137 -8.389 -10.105 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.316 -9.254 -9.140 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.923 -7.646 -9.075 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.715 -4.029 -9.097 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.991 -5.076 -8.660 1.00 0.00 H new ATOM 1158 N LEU A 73 3.389 -7.175 -12.490 1.00 0.00 N ATOM 1159 CA LEU A 73 3.245 -6.121 -13.494 1.00 0.00 C ATOM 1160 C LEU A 73 4.628 -5.565 -13.805 1.00 0.00 C ATOM 1161 O LEU A 73 5.617 -6.278 -13.639 1.00 0.00 O ATOM 1162 CB LEU A 73 2.327 -4.999 -12.974 1.00 0.00 C ATOM 1163 CG LEU A 73 0.862 -5.383 -12.739 1.00 0.00 C ATOM 1164 CD1 LEU A 73 0.109 -4.233 -12.086 1.00 0.00 C ATOM 1165 CD2 LEU A 73 0.195 -5.778 -14.050 1.00 0.00 C ATOM 0 H LEU A 73 4.151 -7.015 -11.831 1.00 0.00 H new ATOM 0 HA LEU A 73 2.793 -6.532 -14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.739 -4.625 -12.036 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.356 -4.174 -13.686 1.00 0.00 H new ATOM 0 HG LEU A 73 0.835 -6.241 -12.067 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.930 -4.522 -11.926 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.570 -3.993 -11.128 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.146 -3.358 -12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.844 -6.047 -13.863 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.233 -4.939 -14.745 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.719 -6.631 -14.482 1.00 0.00 H new ATOM 1177 N ASN A 74 4.702 -4.308 -14.252 1.00 0.00 N ATOM 1178 CA ASN A 74 5.988 -3.642 -14.453 1.00 0.00 C ATOM 1179 C ASN A 74 6.808 -3.706 -13.173 1.00 0.00 C ATOM 1180 O ASN A 74 6.520 -3.005 -12.203 1.00 0.00 O ATOM 1181 CB ASN A 74 5.798 -2.180 -14.867 1.00 0.00 C ATOM 1182 CG ASN A 74 4.994 -2.029 -16.142 1.00 0.00 C ATOM 1183 OD1 ASN A 74 3.776 -1.843 -16.101 1.00 0.00 O ATOM 1184 ND2 ASN A 74 5.661 -2.122 -17.282 1.00 0.00 N ATOM 0 H ASN A 74 3.890 -3.735 -14.480 1.00 0.00 H new ATOM 0 HA ASN A 74 6.514 -4.160 -15.255 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.298 -1.642 -14.062 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.775 -1.716 -15.002 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.167 -2.039 -18.170 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.669 -2.276 -17.272 1.00 0.00 H new ATOM 1191 N LYS A 75 7.818 -4.561 -13.181 1.00 0.00 N ATOM 1192 CA LYS A 75 8.617 -4.840 -11.997 1.00 0.00 C ATOM 1193 C LYS A 75 9.521 -3.661 -11.651 1.00 0.00 C ATOM 1194 O LYS A 75 9.861 -3.447 -10.490 1.00 0.00 O ATOM 1195 CB LYS A 75 9.438 -6.113 -12.236 1.00 0.00 C ATOM 1196 CG LYS A 75 10.303 -6.545 -11.060 1.00 0.00 C ATOM 1197 CD LYS A 75 10.811 -7.969 -11.253 1.00 0.00 C ATOM 1198 CE LYS A 75 11.611 -8.117 -12.540 1.00 0.00 C ATOM 1199 NZ LYS A 75 12.954 -7.493 -12.441 1.00 0.00 N ATOM 0 H LYS A 75 8.108 -5.082 -14.009 1.00 0.00 H new ATOM 0 HA LYS A 75 7.954 -4.994 -11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.757 -6.926 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.080 -5.957 -13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.148 -5.864 -10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.727 -6.482 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.434 -8.250 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.966 -8.657 -11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.721 -9.175 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.060 -7.661 -13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.462 -7.618 -13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.851 -6.478 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.491 -7.945 -11.674 1.00 0.00 H new ATOM 1213 N ALA A 76 9.883 -2.881 -12.661 1.00 0.00 N ATOM 1214 CA ALA A 76 10.722 -1.705 -12.461 1.00 0.00 C ATOM 1215 C ALA A 76 9.877 -0.467 -12.169 1.00 0.00 C ATOM 1216 O ALA A 76 10.331 0.663 -12.347 1.00 0.00 O ATOM 1217 CB ALA A 76 11.591 -1.474 -13.689 1.00 0.00 C ATOM 0 H ALA A 76 9.608 -3.041 -13.630 1.00 0.00 H new ATOM 0 HA ALA A 76 11.362 -1.884 -11.597 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.215 -0.594 -13.533 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.226 -2.344 -13.854 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.955 -1.318 -14.560 1.00 0.00 H new ATOM 1223 N HIS A 77 8.648 -0.682 -11.719 1.00 0.00 N ATOM 1224 CA HIS A 77 7.753 0.422 -11.393 1.00 0.00 C ATOM 1225 C HIS A 77 6.862 0.059 -10.210 1.00 0.00 C ATOM 1226 O HIS A 77 6.792 0.791 -9.225 1.00 0.00 O ATOM 1227 CB HIS A 77 6.895 0.797 -12.610 1.00 0.00 C ATOM 1228 CG HIS A 77 5.993 1.980 -12.387 1.00 0.00 C ATOM 1229 ND1 HIS A 77 4.828 2.181 -13.096 1.00 0.00 N ATOM 1230 CD2 HIS A 77 6.098 3.037 -11.542 1.00 0.00 C ATOM 1231 CE1 HIS A 77 4.260 3.303 -12.697 1.00 0.00 C ATOM 1232 NE2 HIS A 77 5.008 3.838 -11.755 1.00 0.00 N ATOM 0 H HIS A 77 8.248 -1.609 -11.571 1.00 0.00 H new ATOM 0 HA HIS A 77 8.360 1.284 -11.117 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.553 1.010 -13.453 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.286 -0.063 -12.890 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.894 3.214 -10.833 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.337 3.713 -13.079 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.808 4.709 -11.263 1.00 0.00 H new ATOM 1241 N TRP A 78 6.179 -1.069 -10.319 1.00 0.00 N ATOM 1242 CA TRP A 78 5.292 -1.528 -9.263 1.00 0.00 C ATOM 1243 C TRP A 78 5.885 -2.734 -8.545 1.00 0.00 C ATOM 1244 O TRP A 78 6.256 -3.728 -9.175 1.00 0.00 O ATOM 1245 CB TRP A 78 3.919 -1.893 -9.832 1.00 0.00 C ATOM 1246 CG TRP A 78 3.079 -0.711 -10.204 1.00 0.00 C ATOM 1247 CD1 TRP A 78 2.957 -0.142 -11.440 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.235 0.040 -9.328 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.085 0.918 -11.385 1.00 0.00 N ATOM 1250 CE2 TRP A 78 1.631 1.051 -10.097 1.00 0.00 C ATOM 1251 CE3 TRP A 78 1.933 -0.044 -7.962 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.739 1.969 -9.547 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 1.049 0.869 -7.419 1.00 0.00 C ATOM 1254 CH2 TRP A 78 0.463 1.865 -8.210 1.00 0.00 C ATOM 0 H TRP A 78 6.222 -1.685 -11.131 1.00 0.00 H new ATOM 0 HA TRP A 78 5.175 -0.714 -8.548 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.057 -2.519 -10.714 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.380 -2.492 -9.097 1.00 0.00 H new ATOM 0 HD1 TRP A 78 3.470 -0.476 -12.329 1.00 0.00 H new ATOM 0 HE1 TRP A 78 1.819 1.509 -12.172 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.383 -0.808 -7.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.281 2.736 -10.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.806 0.813 -6.368 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.221 2.566 -7.756 1.00 0.00 H new ATOM 1265 N SER A 79 5.940 -2.658 -7.228 1.00 0.00 N ATOM 1266 CA SER A 79 6.456 -3.747 -6.419 1.00 0.00 C ATOM 1267 C SER A 79 5.417 -4.145 -5.380 1.00 0.00 C ATOM 1268 O SER A 79 4.721 -3.293 -4.819 1.00 0.00 O ATOM 1269 CB SER A 79 7.761 -3.329 -5.746 1.00 0.00 C ATOM 1270 OG SER A 79 8.713 -2.906 -6.708 1.00 0.00 O ATOM 0 H SER A 79 5.631 -1.847 -6.692 1.00 0.00 H new ATOM 0 HA SER A 79 6.662 -4.606 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.568 -2.522 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.163 -4.164 -5.173 1.00 0.00 H new ATOM 0 HG SER A 79 9.565 -3.364 -6.549 1.00 0.00 H new ATOM 1276 N THR A 80 5.298 -5.439 -5.147 1.00 0.00 N ATOM 1277 CA THR A 80 4.235 -5.960 -4.313 1.00 0.00 C ATOM 1278 C THR A 80 4.787 -6.735 -3.121 1.00 0.00 C ATOM 1279 O THR A 80 5.676 -7.574 -3.266 1.00 0.00 O ATOM 1280 CB THR A 80 3.314 -6.875 -5.142 1.00 0.00 C ATOM 1281 OG1 THR A 80 2.910 -6.196 -6.336 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.081 -7.264 -4.355 1.00 0.00 C ATOM 0 H THR A 80 5.926 -6.148 -5.525 1.00 0.00 H new ATOM 0 HA THR A 80 3.666 -5.112 -3.933 1.00 0.00 H new ATOM 0 HB THR A 80 3.870 -7.779 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.325 -6.780 -6.863 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.449 -7.910 -4.965 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.379 -7.796 -3.451 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.526 -6.367 -4.081 1.00 0.00 H new ATOM 1290 N VAL A 81 4.258 -6.440 -1.942 1.00 0.00 N ATOM 1291 CA VAL A 81 4.616 -7.171 -0.739 1.00 0.00 C ATOM 1292 C VAL A 81 3.667 -8.349 -0.558 1.00 0.00 C ATOM 1293 O VAL A 81 2.469 -8.166 -0.332 1.00 0.00 O ATOM 1294 CB VAL A 81 4.571 -6.266 0.509 1.00 0.00 C ATOM 1295 CG1 VAL A 81 4.936 -7.050 1.761 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.504 -5.075 0.335 1.00 0.00 C ATOM 0 H VAL A 81 3.576 -5.696 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 81 5.638 -7.532 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 81 3.552 -5.896 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.897 -6.390 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.229 -7.869 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.943 -7.453 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.461 -4.446 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.524 -5.430 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.195 -4.495 -0.535 1.00 0.00 H new ATOM 1306 N TYR A 82 4.202 -9.552 -0.685 1.00 0.00 N ATOM 1307 CA TYR A 82 3.396 -10.761 -0.606 1.00 0.00 C ATOM 1308 C TYR A 82 3.254 -11.244 0.827 1.00 0.00 C ATOM 1309 O TYR A 82 4.246 -11.405 1.537 1.00 0.00 O ATOM 1310 CB TYR A 82 4.029 -11.882 -1.437 1.00 0.00 C ATOM 1311 CG TYR A 82 4.006 -11.641 -2.927 1.00 0.00 C ATOM 1312 CD1 TYR A 82 4.826 -10.691 -3.514 1.00 0.00 C ATOM 1313 CD2 TYR A 82 3.167 -12.379 -3.751 1.00 0.00 C ATOM 1314 CE1 TYR A 82 4.809 -10.476 -4.875 1.00 0.00 C ATOM 1315 CE2 TYR A 82 3.143 -12.171 -5.115 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.968 -11.219 -5.674 1.00 0.00 C ATOM 1317 OH TYR A 82 3.951 -11.006 -7.037 1.00 0.00 O ATOM 0 H TYR A 82 5.196 -9.719 -0.844 1.00 0.00 H new ATOM 0 HA TYR A 82 2.409 -10.514 -0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.063 -12.015 -1.118 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.507 -12.815 -1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.491 -10.108 -2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.522 -13.129 -3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.453 -9.728 -5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.481 -12.751 -5.741 1.00 0.00 H new ATOM 0 HH TYR A 82 3.304 -11.612 -7.455 1.00 0.00 H new ATOM 1327 N LEU A 83 2.020 -11.495 1.239 1.00 0.00 N ATOM 1328 CA LEU A 83 1.764 -12.180 2.496 1.00 0.00 C ATOM 1329 C LEU A 83 1.837 -13.684 2.239 1.00 0.00 C ATOM 1330 O LEU A 83 0.946 -14.451 2.606 1.00 0.00 O ATOM 1331 CB LEU A 83 0.395 -11.781 3.064 1.00 0.00 C ATOM 1332 CG LEU A 83 0.201 -10.281 3.298 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -1.180 -10.002 3.874 1.00 0.00 C ATOM 1334 CD2 LEU A 83 1.287 -9.741 4.220 1.00 0.00 C ATOM 0 H LEU A 83 1.181 -11.234 0.721 1.00 0.00 H new ATOM 0 HA LEU A 83 2.511 -11.896 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.380 -12.130 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.245 -12.303 4.009 1.00 0.00 H new ATOM 0 HG LEU A 83 0.279 -9.770 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.298 -8.930 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.942 -10.352 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.290 -10.524 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.134 -8.673 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.241 -10.258 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.264 -9.905 3.766 1.00 0.00 H new ATOM 1346 N ASP A 84 2.930 -14.069 1.590 1.00 0.00 N ATOM 1347 CA ASP A 84 3.146 -15.422 1.092 1.00 0.00 C ATOM 1348 C ASP A 84 3.180 -16.431 2.237 1.00 0.00 C ATOM 1349 O ASP A 84 2.185 -17.095 2.533 1.00 0.00 O ATOM 1350 CB ASP A 84 4.467 -15.441 0.313 1.00 0.00 C ATOM 1351 CG ASP A 84 4.655 -16.677 -0.541 1.00 0.00 C ATOM 1352 OD1 ASP A 84 5.045 -17.725 0.004 1.00 0.00 O ATOM 1353 OD2 ASP A 84 4.437 -16.586 -1.771 1.00 0.00 O ATOM 0 H ASP A 84 3.706 -13.437 1.392 1.00 0.00 H new ATOM 0 HA ASP A 84 2.322 -15.707 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.514 -14.559 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.295 -15.369 1.018 1.00 0.00 H new ATOM 1358 N GLY A 85 4.328 -16.528 2.881 1.00 0.00 N ATOM 1359 CA GLY A 85 4.468 -17.381 4.041 1.00 0.00 C ATOM 1360 C GLY A 85 5.610 -16.919 4.912 1.00 0.00 C ATOM 1361 O GLY A 85 6.159 -17.683 5.705 1.00 0.00 O ATOM 0 H GLY A 85 5.176 -16.026 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.542 -17.376 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.640 -18.409 3.723 1.00 0.00 H new ATOM 1365 N SER A 86 5.961 -15.652 4.754 1.00 0.00 N ATOM 1366 CA SER A 86 7.091 -15.062 5.449 1.00 0.00 C ATOM 1367 C SER A 86 6.788 -13.600 5.750 1.00 0.00 C ATOM 1368 O SER A 86 5.658 -13.155 5.542 1.00 0.00 O ATOM 1369 CB SER A 86 8.351 -15.172 4.584 1.00 0.00 C ATOM 1370 OG SER A 86 8.563 -16.507 4.148 1.00 0.00 O ATOM 0 H SER A 86 5.469 -15.004 4.139 1.00 0.00 H new ATOM 0 HA SER A 86 7.262 -15.595 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.259 -14.515 3.719 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.216 -14.831 5.153 1.00 0.00 H new ATOM 0 HG SER A 86 9.373 -16.547 3.597 1.00 0.00 H new ATOM 1376 N LEU A 87 7.803 -12.871 6.222 1.00 0.00 N ATOM 1377 CA LEU A 87 7.698 -11.449 6.537 1.00 0.00 C ATOM 1378 C LEU A 87 6.920 -11.221 7.837 1.00 0.00 C ATOM 1379 O LEU A 87 5.991 -11.963 8.161 1.00 0.00 O ATOM 1380 CB LEU A 87 7.066 -10.670 5.380 1.00 0.00 C ATOM 1381 CG LEU A 87 7.848 -10.713 4.063 1.00 0.00 C ATOM 1382 CD1 LEU A 87 7.093 -9.978 2.968 1.00 0.00 C ATOM 1383 CD2 LEU A 87 9.228 -10.109 4.248 1.00 0.00 C ATOM 0 H LEU A 87 8.730 -13.259 6.397 1.00 0.00 H new ATOM 0 HA LEU A 87 8.710 -11.072 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.065 -11.062 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.952 -9.629 5.683 1.00 0.00 H new ATOM 0 HG LEU A 87 7.960 -11.755 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.665 -10.020 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.122 -10.449 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.951 -8.937 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.771 -10.147 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.131 -9.072 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.774 -10.674 5.004 1.00 0.00 H new ATOM 1395 N PRO A 88 7.312 -10.200 8.613 1.00 0.00 N ATOM 1396 CA PRO A 88 6.699 -9.904 9.905 1.00 0.00 C ATOM 1397 C PRO A 88 5.338 -9.235 9.764 1.00 0.00 C ATOM 1398 O PRO A 88 5.136 -8.393 8.890 1.00 0.00 O ATOM 1399 CB PRO A 88 7.690 -8.935 10.571 1.00 0.00 C ATOM 1400 CG PRO A 88 8.868 -8.848 9.656 1.00 0.00 C ATOM 1401 CD PRO A 88 8.381 -9.248 8.296 1.00 0.00 C ATOM 0 HA PRO A 88 6.520 -10.815 10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.237 -7.954 10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.987 -9.298 11.555 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.273 -7.836 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.669 -9.507 9.991 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.010 -8.394 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 88 9.170 -9.707 7.700 1.00 0.00 H new ATOM 1409 N ASP A 89 4.412 -9.606 10.636 1.00 0.00 N ATOM 1410 CA ASP A 89 3.089 -8.989 10.662 1.00 0.00 C ATOM 1411 C ASP A 89 3.205 -7.520 11.059 1.00 0.00 C ATOM 1412 O ASP A 89 2.519 -6.653 10.518 1.00 0.00 O ATOM 1413 CB ASP A 89 2.183 -9.731 11.648 1.00 0.00 C ATOM 1414 CG ASP A 89 0.832 -9.070 11.819 1.00 0.00 C ATOM 1415 OD1 ASP A 89 -0.102 -9.407 11.068 1.00 0.00 O ATOM 1416 OD2 ASP A 89 0.693 -8.227 12.729 1.00 0.00 O ATOM 0 H ASP A 89 4.551 -10.333 11.338 1.00 0.00 H new ATOM 0 HA ASP A 89 2.650 -9.051 9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.040 -10.755 11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.679 -9.788 12.617 1.00 0.00 H new ATOM 1421 N SER A 90 4.112 -7.254 11.994 1.00 0.00 N ATOM 1422 CA SER A 90 4.371 -5.900 12.465 1.00 0.00 C ATOM 1423 C SER A 90 4.855 -5.005 11.323 1.00 0.00 C ATOM 1424 O SER A 90 4.637 -3.793 11.330 1.00 0.00 O ATOM 1425 CB SER A 90 5.415 -5.940 13.583 1.00 0.00 C ATOM 1426 OG SER A 90 5.069 -6.907 14.561 1.00 0.00 O ATOM 0 H SER A 90 4.685 -7.968 12.444 1.00 0.00 H new ATOM 0 HA SER A 90 3.441 -5.480 12.849 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.394 -6.174 13.164 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.494 -4.958 14.048 1.00 0.00 H new ATOM 0 HG SER A 90 5.750 -6.918 15.266 1.00 0.00 H new ATOM 1432 N GLN A 91 5.501 -5.625 10.339 1.00 0.00 N ATOM 1433 CA GLN A 91 6.050 -4.916 9.190 1.00 0.00 C ATOM 1434 C GLN A 91 4.926 -4.273 8.379 1.00 0.00 C ATOM 1435 O GLN A 91 5.073 -3.171 7.852 1.00 0.00 O ATOM 1436 CB GLN A 91 6.833 -5.903 8.315 1.00 0.00 C ATOM 1437 CG GLN A 91 7.836 -5.270 7.364 1.00 0.00 C ATOM 1438 CD GLN A 91 9.045 -4.700 8.080 1.00 0.00 C ATOM 1439 OE1 GLN A 91 8.945 -4.188 9.195 1.00 0.00 O ATOM 1440 NE2 GLN A 91 10.209 -4.841 7.469 1.00 0.00 N ATOM 0 H GLN A 91 5.658 -6.633 10.317 1.00 0.00 H new ATOM 0 HA GLN A 91 6.719 -4.128 9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.362 -6.599 8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.123 -6.489 7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.166 -6.016 6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.345 -4.476 6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.251 -5.271 6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.065 -4.520 7.922 1.00 0.00 H new ATOM 1449 N ILE A 92 3.791 -4.966 8.324 1.00 0.00 N ATOM 1450 CA ILE A 92 2.648 -4.541 7.521 1.00 0.00 C ATOM 1451 C ILE A 92 2.133 -3.173 7.963 1.00 0.00 C ATOM 1452 O ILE A 92 1.785 -2.337 7.128 1.00 0.00 O ATOM 1453 CB ILE A 92 1.499 -5.570 7.611 1.00 0.00 C ATOM 1454 CG1 ILE A 92 2.010 -6.970 7.260 1.00 0.00 C ATOM 1455 CG2 ILE A 92 0.353 -5.176 6.688 1.00 0.00 C ATOM 1456 CD1 ILE A 92 0.974 -8.058 7.440 1.00 0.00 C ATOM 0 H ILE A 92 3.638 -5.836 8.834 1.00 0.00 H new ATOM 0 HA ILE A 92 2.991 -4.471 6.489 1.00 0.00 H new ATOM 0 HB ILE A 92 1.126 -5.582 8.635 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.352 -6.974 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.875 -7.198 7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.446 -5.913 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.027 -4.196 6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.711 -5.136 5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.408 -9.021 7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.649 -8.083 8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.117 -7.855 6.797 1.00 0.00 H new ATOM 1468 N TYR A 93 2.102 -2.948 9.275 1.00 0.00 N ATOM 1469 CA TYR A 93 1.611 -1.686 9.828 1.00 0.00 C ATOM 1470 C TYR A 93 2.382 -0.502 9.251 1.00 0.00 C ATOM 1471 O TYR A 93 1.788 0.496 8.839 1.00 0.00 O ATOM 1472 CB TYR A 93 1.726 -1.675 11.352 1.00 0.00 C ATOM 1473 CG TYR A 93 0.896 -2.736 12.046 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.454 -2.536 12.306 1.00 0.00 C ATOM 1475 CD2 TYR A 93 1.472 -3.931 12.458 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.209 -3.503 12.949 1.00 0.00 C ATOM 1477 CE2 TYR A 93 0.727 -4.899 13.102 1.00 0.00 C ATOM 1478 CZ TYR A 93 -0.612 -4.682 13.349 1.00 0.00 C ATOM 1479 OH TYR A 93 -1.358 -5.644 13.997 1.00 0.00 O ATOM 0 H TYR A 93 2.411 -3.622 9.975 1.00 0.00 H new ATOM 0 HA TYR A 93 0.561 -1.595 9.552 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.772 -1.811 11.627 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.424 -0.695 11.721 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.922 -1.612 12.002 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.521 -4.106 12.271 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.259 -3.336 13.137 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.192 -5.823 13.411 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.788 -6.412 14.209 1.00 0.00 H new ATOM 1489 N TYR A 94 3.702 -0.631 9.203 1.00 0.00 N ATOM 1490 CA TYR A 94 4.560 0.435 8.703 1.00 0.00 C ATOM 1491 C TYR A 94 4.368 0.628 7.203 1.00 0.00 C ATOM 1492 O TYR A 94 4.283 1.755 6.720 1.00 0.00 O ATOM 1493 CB TYR A 94 6.031 0.126 9.007 1.00 0.00 C ATOM 1494 CG TYR A 94 7.001 1.131 8.414 1.00 0.00 C ATOM 1495 CD1 TYR A 94 7.224 2.359 9.022 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.689 0.849 7.239 1.00 0.00 C ATOM 1497 CE1 TYR A 94 8.101 3.278 8.477 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.568 1.762 6.688 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.769 2.975 7.310 1.00 0.00 C ATOM 1500 OH TYR A 94 9.641 3.888 6.762 1.00 0.00 O ATOM 0 H TYR A 94 4.203 -1.467 9.505 1.00 0.00 H new ATOM 0 HA TYR A 94 4.280 1.359 9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.170 0.094 10.088 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.271 -0.866 8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.703 2.600 9.937 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.534 -0.100 6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.262 4.229 8.963 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.094 1.526 5.775 1.00 0.00 H new ATOM 0 HH TYR A 94 10.029 3.518 5.942 1.00 0.00 H new ATOM 1510 N LEU A 95 4.285 -0.482 6.475 1.00 0.00 N ATOM 1511 CA LEU A 95 4.192 -0.442 5.015 1.00 0.00 C ATOM 1512 C LEU A 95 2.966 0.340 4.557 1.00 0.00 C ATOM 1513 O LEU A 95 3.055 1.194 3.670 1.00 0.00 O ATOM 1514 CB LEU A 95 4.145 -1.861 4.445 1.00 0.00 C ATOM 1515 CG LEU A 95 5.316 -2.762 4.846 1.00 0.00 C ATOM 1516 CD1 LEU A 95 5.184 -4.129 4.201 1.00 0.00 C ATOM 1517 CD2 LEU A 95 6.645 -2.118 4.476 1.00 0.00 C ATOM 0 H LEU A 95 4.280 -1.422 6.871 1.00 0.00 H new ATOM 0 HA LEU A 95 5.080 0.067 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.217 -2.334 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.111 -1.798 3.357 1.00 0.00 H new ATOM 0 HG LEU A 95 5.292 -2.891 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.026 -4.754 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.253 -4.595 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.178 -4.021 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.463 -2.776 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.682 -1.953 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.743 -1.164 4.993 1.00 0.00 H new ATOM 1529 N VAL A 96 1.824 0.052 5.170 1.00 0.00 N ATOM 1530 CA VAL A 96 0.580 0.725 4.817 1.00 0.00 C ATOM 1531 C VAL A 96 0.617 2.192 5.234 1.00 0.00 C ATOM 1532 O VAL A 96 0.242 3.080 4.467 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.638 0.037 5.473 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -1.932 0.734 5.077 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -0.690 -1.433 5.090 1.00 0.00 C ATOM 0 H VAL A 96 1.734 -0.642 5.912 1.00 0.00 H new ATOM 0 HA VAL A 96 0.477 0.662 3.734 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.527 0.111 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.775 0.232 5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.899 1.774 5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.049 0.696 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.554 -1.901 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.773 -1.524 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.220 -1.929 5.427 1.00 0.00 H new ATOM 1545 N ASP A 97 1.093 2.442 6.445 1.00 0.00 N ATOM 1546 CA ASP A 97 1.108 3.790 6.996 1.00 0.00 C ATOM 1547 C ASP A 97 2.059 4.697 6.220 1.00 0.00 C ATOM 1548 O ASP A 97 1.723 5.841 5.921 1.00 0.00 O ATOM 1549 CB ASP A 97 1.504 3.755 8.470 1.00 0.00 C ATOM 1550 CG ASP A 97 1.410 5.112 9.133 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.283 5.641 9.262 1.00 0.00 O ATOM 1552 OD2 ASP A 97 2.455 5.639 9.553 1.00 0.00 O ATOM 0 H ASP A 97 1.475 1.728 7.066 1.00 0.00 H new ATOM 0 HA ASP A 97 0.102 4.199 6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.860 3.052 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.524 3.382 8.559 1.00 0.00 H new ATOM 1557 N ALA A 98 3.233 4.175 5.876 1.00 0.00 N ATOM 1558 CA ALA A 98 4.229 4.940 5.127 1.00 0.00 C ATOM 1559 C ALA A 98 3.696 5.347 3.755 1.00 0.00 C ATOM 1560 O ALA A 98 4.055 6.399 3.224 1.00 0.00 O ATOM 1561 CB ALA A 98 5.516 4.143 4.975 1.00 0.00 C ATOM 0 H ALA A 98 3.520 3.223 6.104 1.00 0.00 H new ATOM 0 HA ALA A 98 4.443 5.847 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.244 4.730 4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.919 3.911 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.309 3.216 4.440 1.00 0.00 H new ATOM 1567 N SER A 99 2.845 4.506 3.182 1.00 0.00 N ATOM 1568 CA SER A 99 2.225 4.806 1.900 1.00 0.00 C ATOM 1569 C SER A 99 1.223 5.952 2.052 1.00 0.00 C ATOM 1570 O SER A 99 1.076 6.792 1.163 1.00 0.00 O ATOM 1571 CB SER A 99 1.548 3.554 1.344 1.00 0.00 C ATOM 1572 OG SER A 99 2.482 2.491 1.219 1.00 0.00 O ATOM 0 H SER A 99 2.569 3.611 3.585 1.00 0.00 H new ATOM 0 HA SER A 99 2.994 5.122 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.733 3.253 2.002 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.108 3.774 0.371 1.00 0.00 H new ATOM 0 HG SER A 99 2.638 2.087 2.098 1.00 0.00 H new ATOM 1578 N TYR A 100 0.561 5.996 3.202 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.379 7.065 3.509 1.00 0.00 C ATOM 1580 C TYR A 100 0.364 8.370 3.808 1.00 0.00 C ATOM 1581 O TYR A 100 -0.082 9.448 3.418 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.272 6.662 4.694 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.153 7.778 5.222 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.187 8.304 4.454 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -1.938 8.311 6.486 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -3.982 9.329 4.937 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.727 9.336 6.971 1.00 0.00 C ATOM 1588 CZ TYR A 100 -3.745 9.841 6.195 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.525 10.868 6.676 1.00 0.00 O ATOM 0 H TYR A 100 0.659 5.299 3.940 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.013 7.231 2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.905 5.829 4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.639 6.301 5.504 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.372 7.907 3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.141 7.918 7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.784 9.726 4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.545 9.740 7.956 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.459 10.718 6.419 1.00 0.00 H new ATOM 1599 N GLN A 101 1.502 8.262 4.492 1.00 0.00 N ATOM 1600 CA GLN A 101 2.320 9.429 4.825 1.00 0.00 C ATOM 1601 C GLN A 101 2.715 10.197 3.569 1.00 0.00 C ATOM 1602 O GLN A 101 2.648 11.425 3.529 1.00 0.00 O ATOM 1603 CB GLN A 101 3.584 8.999 5.571 1.00 0.00 C ATOM 1604 CG GLN A 101 3.321 8.319 6.904 1.00 0.00 C ATOM 1605 CD GLN A 101 2.556 9.193 7.878 1.00 0.00 C ATOM 1606 OE1 GLN A 101 3.147 9.957 8.640 1.00 0.00 O ATOM 1607 NE2 GLN A 101 1.238 9.071 7.879 1.00 0.00 N ATOM 0 H GLN A 101 1.880 7.376 4.828 1.00 0.00 H new ATOM 0 HA GLN A 101 1.723 10.080 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 101 4.154 8.320 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 101 4.208 9.876 5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.760 7.400 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.272 8.032 7.353 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.785 8.426 7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.675 9.622 8.527 1.00 0.00 H new ATOM 1616 N GLN A 102 3.122 9.457 2.547 1.00 0.00 N ATOM 1617 CA GLN A 102 3.496 10.042 1.264 1.00 0.00 C ATOM 1618 C GLN A 102 2.360 10.887 0.691 1.00 0.00 C ATOM 1619 O GLN A 102 2.591 11.972 0.160 1.00 0.00 O ATOM 1620 CB GLN A 102 3.880 8.936 0.279 1.00 0.00 C ATOM 1621 CG GLN A 102 5.191 8.249 0.624 1.00 0.00 C ATOM 1622 CD GLN A 102 5.403 6.964 -0.153 1.00 0.00 C ATOM 1623 OE1 GLN A 102 5.949 6.966 -1.256 1.00 0.00 O ATOM 1624 NE2 GLN A 102 4.987 5.853 0.429 1.00 0.00 N ATOM 0 H GLN A 102 3.202 8.441 2.581 1.00 0.00 H new ATOM 0 HA GLN A 102 4.354 10.695 1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.084 8.191 0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.953 9.361 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.017 8.931 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.211 8.030 1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.539 5.894 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.114 4.955 -0.037 1.00 0.00 H new ATOM 1633 N ALA A 103 1.136 10.390 0.821 1.00 0.00 N ATOM 1634 CA ALA A 103 -0.033 11.101 0.326 1.00 0.00 C ATOM 1635 C ALA A 103 -0.236 12.411 1.085 1.00 0.00 C ATOM 1636 O ALA A 103 -0.544 13.443 0.489 1.00 0.00 O ATOM 1637 CB ALA A 103 -1.271 10.223 0.443 1.00 0.00 C ATOM 0 H ALA A 103 0.929 9.496 1.266 1.00 0.00 H new ATOM 0 HA ALA A 103 0.131 11.340 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.139 10.766 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.130 9.316 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.431 9.957 1.488 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.035 12.362 2.398 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.200 13.537 3.254 1.00 0.00 C ATOM 1645 C VAL A 104 0.795 14.633 2.877 1.00 0.00 C ATOM 1646 O VAL A 104 0.497 15.824 2.987 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.019 13.171 4.744 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -0.234 14.382 5.639 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -0.969 12.053 5.133 1.00 0.00 C ATOM 0 H VAL A 104 0.244 11.517 2.897 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.214 13.908 3.102 1.00 0.00 H new ATOM 0 HB VAL A 104 1.006 12.827 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.100 14.093 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.488 15.157 5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.244 14.765 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.829 11.807 6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.997 12.376 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.764 11.173 4.524 1.00 0.00 H new ATOM 1659 N ASN A 105 1.972 14.226 2.420 1.00 0.00 N ATOM 1660 CA ASN A 105 3.009 15.175 2.027 1.00 0.00 C ATOM 1661 C ASN A 105 2.701 15.789 0.662 1.00 0.00 C ATOM 1662 O ASN A 105 3.202 16.865 0.326 1.00 0.00 O ATOM 1663 CB ASN A 105 4.386 14.499 2.008 1.00 0.00 C ATOM 1664 CG ASN A 105 4.829 14.044 3.389 1.00 0.00 C ATOM 1665 OD1 ASN A 105 4.462 14.643 4.397 1.00 0.00 O ATOM 1666 ND2 ASN A 105 5.625 12.984 3.448 1.00 0.00 N ATOM 0 H ASN A 105 2.234 13.246 2.312 1.00 0.00 H new ATOM 0 HA ASN A 105 3.026 15.976 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.356 13.640 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.123 15.193 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.952 12.642 4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.909 12.511 2.590 1.00 0.00 H new ATOM 1673 N LEU A 106 1.871 15.109 -0.116 1.00 0.00 N ATOM 1674 CA LEU A 106 1.489 15.596 -1.437 1.00 0.00 C ATOM 1675 C LEU A 106 0.257 16.494 -1.354 1.00 0.00 C ATOM 1676 O LEU A 106 0.116 17.448 -2.124 1.00 0.00 O ATOM 1677 CB LEU A 106 1.211 14.419 -2.375 1.00 0.00 C ATOM 1678 CG LEU A 106 2.401 13.497 -2.649 1.00 0.00 C ATOM 1679 CD1 LEU A 106 1.979 12.327 -3.526 1.00 0.00 C ATOM 1680 CD2 LEU A 106 3.532 14.272 -3.306 1.00 0.00 C ATOM 0 H LEU A 106 1.448 14.218 0.143 1.00 0.00 H new ATOM 0 HA LEU A 106 2.318 16.183 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.403 13.823 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 106 0.852 14.812 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 106 2.758 13.103 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.838 11.682 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.199 11.757 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.597 12.703 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.371 13.602 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.185 14.693 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.852 15.078 -2.646 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.627 16.187 -0.414 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.870 16.933 -0.244 1.00 0.00 C ATOM 1694 C LEU A 107 -1.599 18.382 0.150 1.00 0.00 C ATOM 1695 O LEU A 107 -0.754 18.654 1.003 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.747 16.260 0.814 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.231 14.855 0.453 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.002 14.243 1.608 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -4.096 14.893 -0.796 1.00 0.00 C ATOM 0 H LEU A 107 -0.506 15.421 0.248 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.393 16.934 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.187 16.207 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.616 16.891 0.999 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.358 14.235 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.338 13.244 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.356 14.180 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.866 14.866 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.431 13.884 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.962 15.531 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.516 15.292 -1.628 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.306 19.328 -0.485 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.178 20.759 -0.181 1.00 0.00 C ATOM 1713 C PRO A 108 -2.747 21.140 1.185 1.00 0.00 C ATOM 1714 O PRO A 108 -3.169 20.280 1.965 1.00 0.00 O ATOM 1715 CB PRO A 108 -2.995 21.435 -1.282 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.956 20.398 -1.744 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.260 19.077 -1.575 1.00 0.00 C ATOM 0 HA PRO A 108 -1.130 21.057 -0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.516 22.314 -0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.355 21.771 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.875 20.431 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.234 20.561 -2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.962 18.283 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.753 18.771 -2.490 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.770 22.447 1.439 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.256 23.014 2.695 1.00 0.00 C ATOM 1727 C GLU A 109 -4.660 22.517 3.021 1.00 0.00 C ATOM 1728 O GLU A 109 -4.909 21.978 4.103 1.00 0.00 O ATOM 1729 CB GLU A 109 -3.284 24.542 2.583 1.00 0.00 C ATOM 1730 CG GLU A 109 -3.648 25.254 3.876 1.00 0.00 C ATOM 1731 CD GLU A 109 -2.485 25.352 4.831 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -2.029 24.308 5.333 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -2.025 26.482 5.094 1.00 0.00 O ATOM 0 H GLU A 109 -2.449 23.149 0.772 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.583 22.700 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.305 24.889 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.999 24.826 1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.009 26.256 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.468 24.723 4.360 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.561 22.704 2.065 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.971 22.394 2.243 1.00 0.00 C ATOM 1742 C GLU A 110 -7.180 20.964 2.725 1.00 0.00 C ATOM 1743 O GLU A 110 -7.843 20.726 3.733 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.707 22.582 0.921 1.00 0.00 C ATOM 1745 CG GLU A 110 -9.194 22.310 1.020 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.845 22.125 -0.333 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -10.132 23.138 -1.004 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -10.067 20.963 -0.738 1.00 0.00 O ATOM 0 H GLU A 110 -5.333 23.076 1.143 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.364 23.072 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.554 23.602 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.272 21.919 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.356 21.416 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.677 23.137 1.541 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.600 20.023 1.999 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.856 18.611 2.234 1.00 0.00 C ATOM 1757 C LYS A 111 -6.344 18.184 3.600 1.00 0.00 C ATOM 1758 O LYS A 111 -7.077 17.597 4.395 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.182 17.773 1.153 1.00 0.00 C ATOM 1760 CG LYS A 111 -6.483 18.223 -0.275 1.00 0.00 C ATOM 1761 CD LYS A 111 -7.950 18.574 -0.495 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.856 17.361 -0.415 1.00 0.00 C ATOM 1763 NZ LYS A 111 -10.267 17.704 -0.744 1.00 0.00 N ATOM 0 H LYS A 111 -5.946 20.212 1.239 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.934 18.452 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.104 17.800 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.495 16.735 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.868 19.091 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.197 17.431 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.261 19.305 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.065 19.045 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.498 16.594 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.809 16.937 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.862 16.857 -0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.605 18.442 -0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.320 18.053 -1.722 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.083 18.494 3.852 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.427 18.176 5.116 1.00 0.00 C ATOM 1779 C ARG A 112 -5.218 18.696 6.315 1.00 0.00 C ATOM 1780 O ARG A 112 -5.485 17.947 7.251 1.00 0.00 O ATOM 1781 CB ARG A 112 -3.008 18.746 5.127 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.033 17.949 4.271 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.694 18.655 4.121 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.088 18.991 5.406 1.00 0.00 N ATOM 1785 CZ ARG A 112 1.074 18.497 5.830 1.00 0.00 C ATOM 1786 NH1 ARG A 112 1.683 17.544 5.135 1.00 0.00 N ATOM 1787 NH2 ARG A 112 1.618 18.939 6.958 1.00 0.00 N ATOM 0 H ARG A 112 -4.480 18.975 3.185 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.381 17.090 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.035 19.776 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.642 18.772 6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.877 16.968 4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.468 17.784 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.013 18.017 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.831 19.566 3.539 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.584 19.642 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.261 17.190 4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.573 17.166 5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.146 19.660 7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.508 18.558 7.279 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.605 19.967 6.276 1.00 0.00 N ATOM 1802 CA LYS A 113 -6.331 20.577 7.387 1.00 0.00 C ATOM 1803 C LYS A 113 -7.615 19.818 7.703 1.00 0.00 C ATOM 1804 O LYS A 113 -7.919 19.555 8.867 1.00 0.00 O ATOM 1805 CB LYS A 113 -6.648 22.041 7.081 1.00 0.00 C ATOM 1806 CG LYS A 113 -5.763 23.026 7.829 1.00 0.00 C ATOM 1807 CD LYS A 113 -4.299 22.857 7.466 1.00 0.00 C ATOM 1808 CE LYS A 113 -3.417 23.788 8.282 1.00 0.00 C ATOM 1809 NZ LYS A 113 -1.992 23.699 7.875 1.00 0.00 N ATOM 0 H LYS A 113 -5.429 20.594 5.491 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.687 20.528 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -6.541 22.211 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.690 22.238 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.079 24.044 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.890 22.886 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.997 21.824 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.160 23.059 6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.765 24.814 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.509 23.541 9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.484 24.544 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.563 22.851 8.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.930 23.639 6.839 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.351 19.455 6.664 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.612 18.771 6.821 1.00 0.00 C ATOM 1825 C LEU A 114 -9.423 17.350 7.350 1.00 0.00 C ATOM 1826 O LEU A 114 -10.090 16.939 8.300 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.325 18.735 5.475 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.766 20.095 4.927 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.395 19.937 3.552 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.738 20.770 5.885 1.00 0.00 C ATOM 0 H LEU A 114 -8.087 19.628 5.694 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.211 19.314 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.664 18.266 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.204 18.097 5.566 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.884 20.728 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.702 20.914 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.668 19.499 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.266 19.285 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.039 21.735 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.618 20.140 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.253 20.919 6.850 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.502 16.615 6.741 1.00 0.00 N ATOM 1843 CA LEU A 115 -8.319 15.200 7.055 1.00 0.00 C ATOM 1844 C LEU A 115 -7.776 14.989 8.464 1.00 0.00 C ATOM 1845 O LEU A 115 -8.037 13.960 9.081 1.00 0.00 O ATOM 1846 CB LEU A 115 -7.388 14.544 6.033 1.00 0.00 C ATOM 1847 CG LEU A 115 -7.885 14.588 4.587 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -6.927 13.844 3.675 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -9.287 14.008 4.473 1.00 0.00 C ATOM 0 H LEU A 115 -7.869 16.973 6.026 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.301 14.730 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.415 15.034 6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.236 13.503 6.318 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.925 15.632 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.295 13.885 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.942 14.308 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.855 12.804 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.616 14.052 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.280 12.971 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.971 14.585 5.095 1.00 0.00 H new ATOM 1861 N VAL A 116 -7.040 15.966 8.978 1.00 0.00 N ATOM 1862 CA VAL A 116 -6.434 15.838 10.302 1.00 0.00 C ATOM 1863 C VAL A 116 -7.475 16.053 11.401 1.00 0.00 C ATOM 1864 O VAL A 116 -7.390 15.464 12.482 1.00 0.00 O ATOM 1865 CB VAL A 116 -5.249 16.822 10.483 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -4.739 16.813 11.917 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -4.116 16.474 9.528 1.00 0.00 C ATOM 0 H VAL A 116 -6.848 16.849 8.505 1.00 0.00 H new ATOM 0 HA VAL A 116 -6.044 14.823 10.385 1.00 0.00 H new ATOM 0 HB VAL A 116 -5.613 17.824 10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.909 17.513 12.012 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -5.543 17.110 12.591 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -4.400 15.810 12.176 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.293 17.175 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.768 15.461 9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.474 16.537 8.500 1.00 0.00 H new ATOM 1877 N GLN A 117 -8.473 16.877 11.111 1.00 0.00 N ATOM 1878 CA GLN A 117 -9.509 17.199 12.059 1.00 0.00 C ATOM 1879 C GLN A 117 -10.434 16.005 12.305 1.00 0.00 C ATOM 1880 O GLN A 117 -11.016 15.875 13.384 1.00 0.00 O ATOM 1881 CB GLN A 117 -10.320 18.365 11.517 1.00 0.00 C ATOM 1882 CG GLN A 117 -11.077 19.082 12.595 1.00 0.00 C ATOM 1883 CD GLN A 117 -12.180 19.971 12.057 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -12.105 20.472 10.937 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -13.210 20.190 12.857 1.00 0.00 N ATOM 0 H GLN A 117 -8.579 17.337 10.207 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.043 17.462 13.009 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -9.653 19.067 11.016 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.020 18.000 10.766 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.509 18.349 13.276 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.382 19.687 13.177 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -13.239 19.758 13.780 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.975 20.791 12.551 1.00 0.00 H new ATOM 1894 N LEU A 118 -10.560 15.149 11.292 1.00 0.00 N ATOM 1895 CA LEU A 118 -11.487 14.015 11.323 1.00 0.00 C ATOM 1896 C LEU A 118 -11.264 13.133 12.548 1.00 0.00 C ATOM 1897 O LEU A 118 -12.108 13.174 13.469 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.345 13.179 10.049 1.00 0.00 C ATOM 1899 CG LEU A 118 -11.666 13.917 8.749 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.460 13.002 7.553 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.092 14.456 8.773 1.00 0.00 C ATOM 0 H LEU A 118 -10.024 15.220 10.427 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.497 14.421 11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.324 12.803 9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.000 12.312 10.127 1.00 0.00 H new ATOM 0 HG LEU A 118 -10.984 14.762 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.693 13.544 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.423 12.669 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.117 12.136 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.300 14.978 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.792 13.629 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.205 15.148 9.608 1.00 0.00 H new TER 1913 LEU A 118