USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1576 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 80 GLN : amide:sc= -1.26 K(o=3.3,f=0.59!) USER MOD Set 1.2: A 84 GLN : amide:sc= 1.91 K(o=3.3,f=1.7) USER MOD Set 1.3: A 88 TYR OH : rot 15:sc= 0.821 USER MOD Set 1.4: A 107 THR OG1 : rot 148:sc= 0.174 USER MOD Set 1.5: A 163 SER OG : rot -151:sc= 1.38 USER MOD Set 1.6: A 167 GLN : amide:sc= 0.316 K(o=3.3,f=1.7) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.771 K(o=-0.63,f=-4.4) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 156:sc= 0.14 (180deg=0) USER MOD Set 3.1: A 1 GLY N :NH3+ 167:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 6 SER OG : rot -149:sc= 1.03 USER MOD Single : A 3 MET CE :methyl 163:sc= -0.124 (180deg=-0.559) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00567 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -156:sc= -0.245 (180deg=-1.01) USER MOD Single : A 22 GLN : amide:sc= -0.0723 K(o=-0.072,f=-1.4) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0.434 K(o=0.43,f=-2.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= -0.0638 (180deg=-0.0664) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS :FLIP no HE2:sc= 0.232 F(o=-0.86,f=0.23) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.141) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= -1.97! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -151:sc= -0.536 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -128:sc= 1.25 USER MOD Single : A 70 MET CE :methyl -130:sc= 0 (180deg=-1.18) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 82 LYS NZ :NH3+ 154:sc= 0.462 (180deg=-0.132) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00713) USER MOD Single : A 92 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.201) USER MOD Single : A 95 ASN : amide:sc= -0.0394 K(o=-0.039,f=-1.2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= 0.975 (180deg=0.168) USER MOD Single : A 108 HIS : no HD1:sc= 0.069 K(o=0.069,f=-6.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0852 USER MOD Single : A 128 ASN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 131 GLN :FLIP amide:sc= -1.09 F(o=-3.2!,f=-1.1) USER MOD Single : A 132 ASN : amide:sc= -0.094 X(o=-0.094,f=0) USER MOD Single : A 134 THR OG1 : rot -92:sc= 1.22 USER MOD Single : A 144 GLN : amide:sc= -2! C(o=-2!,f=-10!) USER MOD Single : A 145 THR OG1 : rot 109:sc= 0.656 USER MOD Single : A 149 ASN : amide:sc= -0.955 X(o=-0.96,f=-0.92) USER MOD Single : A 151 GLN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 155 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0501) USER MOD Single : A 159 HIS :FLIP no HD1:sc= -0.576 F(o=-1.9,f=-0.58) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN :FLIP amide:sc= 0.897 F(o=-0.98,f=0.9) USER MOD Single : A 165 MET CE :methyl 134:sc= -0.868 (180deg=-3.53!) USER MOD Single : A 169 LYS NZ :NH3+ -162:sc= 1.62 (180deg=0.93) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 178 LYS NZ :NH3+ 169:sc= -0.0178 (180deg=-0.15) USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 180 GLN : amide:sc= -3.13! C(o=-3.1!,f=-6.8!) USER MOD Single : A 181 HIS : no HD1:sc=-0.00413 X(o=-0.0041,f=-0.0041) USER MOD Single : A 182 GLN :FLIP amide:sc= -0.0272 F(o=-0.99!,f=-0.027) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 185 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.8) USER MOD Single : A 186 SER OG : rot 180:sc= 0 USER MOD Single : A 188 GLN : amide:sc= 0.344 X(o=0.34,f=-0.1) USER MOD Single : A 190 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.34) USER MOD Single : B 1 G O2' : rot -41:sc= -5.08! USER MOD Single : B 2 C O2' : rot 37:sc= -3.28 USER MOD Single : B 3 A O2' : rot 20:sc= 0.0955 USER MOD Single : B 4 C O2' : rot 68:sc= 0.98 USER MOD Single : B 5 A O2' : rot 156:sc= -0.01 USER MOD Single : B 6 C O2' : rot -69:sc= 0.886 USER MOD Single : B 7 C O2' : rot -37:sc= 0.968 USER MOD Single : B 8 C O2' : rot 136:sc= 0.179 USER MOD Single : B 8 C O3' : rot 139:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.741 24.158 26.846 1.00 0.00 N ATOM 2 CA GLY A 1 -17.528 22.946 27.177 1.00 0.00 C ATOM 3 C GLY A 1 -16.781 22.033 28.123 1.00 0.00 C ATOM 4 O GLY A 1 -15.899 22.483 28.857 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.178 24.646 26.038 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.724 24.796 27.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.768 23.884 26.600 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.476 23.240 27.628 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.765 22.405 26.261 1.00 0.00 H new ATOM 10 N ALA A 2 -17.123 20.756 28.105 1.00 0.00 N ATOM 11 CA ALA A 2 -16.465 19.772 28.951 1.00 0.00 C ATOM 12 C ALA A 2 -16.283 18.457 28.208 1.00 0.00 C ATOM 13 O ALA A 2 -15.274 17.773 28.370 1.00 0.00 O ATOM 14 CB ALA A 2 -17.267 19.548 30.226 1.00 0.00 C ATOM 0 H ALA A 2 -17.858 20.373 27.510 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.480 20.156 29.218 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.762 18.809 30.848 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.351 20.487 30.773 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.263 19.187 29.970 1.00 0.00 H new ATOM 20 N MET A 3 -17.261 18.110 27.387 1.00 0.00 N ATOM 21 CA MET A 3 -17.236 16.847 26.668 1.00 0.00 C ATOM 22 C MET A 3 -16.616 17.011 25.283 1.00 0.00 C ATOM 23 O MET A 3 -17.122 17.763 24.448 1.00 0.00 O ATOM 24 CB MET A 3 -18.653 16.279 26.545 1.00 0.00 C ATOM 25 CG MET A 3 -18.725 14.968 25.777 1.00 0.00 C ATOM 26 SD MET A 3 -17.762 13.651 26.545 1.00 0.00 S ATOM 27 CE MET A 3 -18.585 13.505 28.131 1.00 0.00 C ATOM 0 H MET A 3 -18.082 18.686 27.202 1.00 0.00 H new ATOM 0 HA MET A 3 -16.619 16.150 27.235 1.00 0.00 H new ATOM 0 HB2 MET A 3 -19.061 16.127 27.544 1.00 0.00 H new ATOM 0 HB3 MET A 3 -19.287 17.014 26.050 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.766 14.654 25.702 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.366 15.128 24.760 1.00 0.00 H new ATOM 0 HE1 MET A 3 -18.317 12.555 28.594 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.275 14.325 28.779 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.665 13.546 27.986 1.00 0.00 H new ATOM 37 N GLY A 4 -15.508 16.322 25.060 1.00 0.00 N ATOM 38 CA GLY A 4 -14.915 16.274 23.739 1.00 0.00 C ATOM 39 C GLY A 4 -13.984 17.436 23.448 1.00 0.00 C ATOM 40 O GLY A 4 -13.142 17.789 24.279 1.00 0.00 O ATOM 0 H GLY A 4 -15.006 15.793 25.773 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.362 15.341 23.632 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.710 16.261 22.993 1.00 0.00 H new ATOM 44 N PRO A 5 -14.121 18.055 22.266 1.00 0.00 N ATOM 45 CA PRO A 5 -13.213 19.106 21.803 1.00 0.00 C ATOM 46 C PRO A 5 -13.458 20.455 22.472 1.00 0.00 C ATOM 47 O PRO A 5 -14.005 21.377 21.863 1.00 0.00 O ATOM 48 CB PRO A 5 -13.511 19.185 20.305 1.00 0.00 C ATOM 49 CG PRO A 5 -14.935 18.768 20.180 1.00 0.00 C ATOM 50 CD PRO A 5 -15.185 17.773 21.282 1.00 0.00 C ATOM 0 HA PRO A 5 -12.175 18.874 22.042 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.359 20.195 19.924 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.854 18.527 19.735 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.601 19.626 20.273 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -15.125 18.322 19.204 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.176 17.901 21.718 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.128 16.748 20.915 1.00 0.00 H new ATOM 58 N SER A 6 -13.060 20.565 23.728 1.00 0.00 N ATOM 59 CA SER A 6 -13.128 21.838 24.427 1.00 0.00 C ATOM 60 C SER A 6 -11.719 22.354 24.711 1.00 0.00 C ATOM 61 O SER A 6 -11.381 23.483 24.366 1.00 0.00 O ATOM 62 CB SER A 6 -13.925 21.695 25.728 1.00 0.00 C ATOM 63 OG SER A 6 -14.256 22.965 26.272 1.00 0.00 O ATOM 0 H SER A 6 -12.688 19.794 24.282 1.00 0.00 H new ATOM 0 HA SER A 6 -13.642 22.560 23.793 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.837 21.129 25.538 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.343 21.127 26.453 1.00 0.00 H new ATOM 0 HG SER A 6 -14.298 22.901 27.249 1.00 0.00 H new ATOM 69 N SER A 7 -10.890 21.513 25.316 1.00 0.00 N ATOM 70 CA SER A 7 -9.524 21.895 25.649 1.00 0.00 C ATOM 71 C SER A 7 -8.518 21.120 24.798 1.00 0.00 C ATOM 72 O SER A 7 -7.487 20.659 25.291 1.00 0.00 O ATOM 73 CB SER A 7 -9.265 21.648 27.136 1.00 0.00 C ATOM 74 OG SER A 7 -10.208 22.343 27.936 1.00 0.00 O ATOM 0 H SER A 7 -11.140 20.562 25.586 1.00 0.00 H new ATOM 0 HA SER A 7 -9.398 22.957 25.436 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.320 20.580 27.346 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.256 21.971 27.392 1.00 0.00 H new ATOM 0 HG SER A 7 -10.025 22.169 28.883 1.00 0.00 H new ATOM 80 N VAL A 8 -8.824 20.981 23.515 1.00 0.00 N ATOM 81 CA VAL A 8 -7.962 20.244 22.600 1.00 0.00 C ATOM 82 C VAL A 8 -7.014 21.182 21.859 1.00 0.00 C ATOM 83 O VAL A 8 -6.148 20.739 21.104 1.00 0.00 O ATOM 84 CB VAL A 8 -8.781 19.432 21.574 1.00 0.00 C ATOM 85 CG1 VAL A 8 -9.601 18.357 22.271 1.00 0.00 C ATOM 86 CG2 VAL A 8 -9.681 20.347 20.754 1.00 0.00 C ATOM 0 H VAL A 8 -9.663 21.369 23.084 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.379 19.552 23.208 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.083 18.943 20.894 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.171 17.796 21.530 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.934 17.680 22.805 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.286 18.824 22.979 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.248 19.753 20.038 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.370 20.870 21.418 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.070 21.074 20.219 1.00 0.00 H new ATOM 96 N SER A 9 -7.172 22.479 22.091 1.00 0.00 N ATOM 97 CA SER A 9 -6.366 23.480 21.410 1.00 0.00 C ATOM 98 C SER A 9 -5.156 23.871 22.256 1.00 0.00 C ATOM 99 O SER A 9 -4.316 24.665 21.828 1.00 0.00 O ATOM 100 CB SER A 9 -7.218 24.710 21.104 1.00 0.00 C ATOM 101 OG SER A 9 -8.392 24.347 20.393 1.00 0.00 O ATOM 0 H SER A 9 -7.853 22.861 22.747 1.00 0.00 H new ATOM 0 HA SER A 9 -6.002 23.055 20.475 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.491 25.209 22.034 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.638 25.423 20.517 1.00 0.00 H new ATOM 0 HG SER A 9 -8.924 25.149 20.209 1.00 0.00 H new ATOM 107 N GLY A 10 -5.070 23.305 23.450 1.00 0.00 N ATOM 108 CA GLY A 10 -3.959 23.591 24.330 1.00 0.00 C ATOM 109 C GLY A 10 -2.889 22.524 24.241 1.00 0.00 C ATOM 110 O GLY A 10 -3.181 21.334 24.377 1.00 0.00 O ATOM 0 H GLY A 10 -5.755 22.649 23.826 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.530 24.560 24.073 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.317 23.664 25.357 1.00 0.00 H new ATOM 114 N ALA A 11 -1.653 22.943 24.010 1.00 0.00 N ATOM 115 CA ALA A 11 -0.539 22.012 23.894 1.00 0.00 C ATOM 116 C ALA A 11 0.018 21.670 25.270 1.00 0.00 C ATOM 117 O ALA A 11 1.148 22.018 25.603 1.00 0.00 O ATOM 118 CB ALA A 11 0.547 22.594 23.003 1.00 0.00 C ATOM 0 H ALA A 11 -1.396 23.924 23.899 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.902 21.092 23.436 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.373 21.886 22.926 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.139 22.785 22.010 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.909 23.528 23.433 1.00 0.00 H new ATOM 124 N ALA A 12 -0.795 21.009 26.075 1.00 0.00 N ATOM 125 CA ALA A 12 -0.379 20.594 27.405 1.00 0.00 C ATOM 126 C ALA A 12 -0.725 19.124 27.660 1.00 0.00 C ATOM 127 O ALA A 12 0.168 18.332 27.968 1.00 0.00 O ATOM 128 CB ALA A 12 -0.986 21.505 28.468 1.00 0.00 C ATOM 0 H ALA A 12 -1.750 20.747 25.831 1.00 0.00 H new ATOM 0 HA ALA A 12 0.705 20.686 27.466 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.662 21.177 29.456 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.657 22.530 28.300 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.073 21.459 28.409 1.00 0.00 H new ATOM 134 N PRO A 13 -2.010 18.712 27.529 1.00 0.00 N ATOM 135 CA PRO A 13 -2.409 17.322 27.763 1.00 0.00 C ATOM 136 C PRO A 13 -1.948 16.391 26.644 1.00 0.00 C ATOM 137 O PRO A 13 -1.528 15.261 26.894 1.00 0.00 O ATOM 138 CB PRO A 13 -3.947 17.374 27.814 1.00 0.00 C ATOM 139 CG PRO A 13 -4.303 18.823 27.848 1.00 0.00 C ATOM 140 CD PRO A 13 -3.174 19.542 27.173 1.00 0.00 C ATOM 0 HA PRO A 13 -1.959 16.927 28.674 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.384 16.884 26.944 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.327 16.857 28.695 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.246 19.005 27.332 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.429 19.170 28.874 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.317 19.599 26.094 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.069 20.565 27.536 1.00 0.00 H new ATOM 148 N PHE A 14 -2.017 16.875 25.410 1.00 0.00 N ATOM 149 CA PHE A 14 -1.669 16.062 24.250 1.00 0.00 C ATOM 150 C PHE A 14 -0.435 16.614 23.549 1.00 0.00 C ATOM 151 O PHE A 14 -0.001 17.733 23.828 1.00 0.00 O ATOM 152 CB PHE A 14 -2.839 16.002 23.264 1.00 0.00 C ATOM 153 CG PHE A 14 -4.072 15.361 23.829 1.00 0.00 C ATOM 154 CD1 PHE A 14 -4.189 13.981 23.880 1.00 0.00 C ATOM 155 CD2 PHE A 14 -5.115 16.138 24.308 1.00 0.00 C ATOM 156 CE1 PHE A 14 -5.323 13.387 24.397 1.00 0.00 C ATOM 157 CE2 PHE A 14 -6.251 15.549 24.827 1.00 0.00 C ATOM 158 CZ PHE A 14 -6.355 14.172 24.872 1.00 0.00 C ATOM 0 H PHE A 14 -2.311 17.826 25.186 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.449 15.055 24.603 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.082 17.014 22.941 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.527 15.450 22.377 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.384 13.363 23.511 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.038 17.215 24.275 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.403 12.310 24.430 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.058 16.164 25.197 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.243 13.710 25.278 1.00 0.00 H new ATOM 168 N SER A 15 0.128 15.826 22.643 1.00 0.00 N ATOM 169 CA SER A 15 1.306 16.237 21.894 1.00 0.00 C ATOM 170 C SER A 15 1.300 15.620 20.496 1.00 0.00 C ATOM 171 O SER A 15 1.338 14.397 20.338 1.00 0.00 O ATOM 172 CB SER A 15 2.576 15.825 22.644 1.00 0.00 C ATOM 173 OG SER A 15 2.609 16.395 23.944 1.00 0.00 O ATOM 0 H SER A 15 -0.215 14.894 22.409 1.00 0.00 H new ATOM 0 HA SER A 15 1.288 17.322 21.792 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.622 14.739 22.719 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.454 16.143 22.082 1.00 0.00 H new ATOM 0 HG SER A 15 3.429 16.116 24.403 1.00 0.00 H new ATOM 179 N SER A 16 1.241 16.472 19.485 1.00 0.00 N ATOM 180 CA SER A 16 1.262 16.031 18.099 1.00 0.00 C ATOM 181 C SER A 16 2.697 16.060 17.577 1.00 0.00 C ATOM 182 O SER A 16 3.030 16.819 16.666 1.00 0.00 O ATOM 183 CB SER A 16 0.363 16.941 17.262 1.00 0.00 C ATOM 184 OG SER A 16 -0.892 17.129 17.900 1.00 0.00 O ATOM 0 H SER A 16 1.178 17.483 19.600 1.00 0.00 H new ATOM 0 HA SER A 16 0.887 15.010 18.028 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.850 17.905 17.114 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.213 16.504 16.275 1.00 0.00 H new ATOM 0 HG SER A 16 -1.453 17.715 17.351 1.00 0.00 H new ATOM 190 N PHE A 17 3.542 15.228 18.167 1.00 0.00 N ATOM 191 CA PHE A 17 4.979 15.304 17.930 1.00 0.00 C ATOM 192 C PHE A 17 5.471 14.199 16.993 1.00 0.00 C ATOM 193 O PHE A 17 6.579 14.281 16.461 1.00 0.00 O ATOM 194 CB PHE A 17 5.714 15.225 19.274 1.00 0.00 C ATOM 195 CG PHE A 17 7.192 15.487 19.186 1.00 0.00 C ATOM 196 CD1 PHE A 17 7.667 16.764 18.931 1.00 0.00 C ATOM 197 CD2 PHE A 17 8.106 14.458 19.359 1.00 0.00 C ATOM 198 CE1 PHE A 17 9.024 17.011 18.850 1.00 0.00 C ATOM 199 CE2 PHE A 17 9.464 14.701 19.279 1.00 0.00 C ATOM 200 CZ PHE A 17 9.923 15.978 19.024 1.00 0.00 C ATOM 0 H PHE A 17 3.259 14.492 18.814 1.00 0.00 H new ATOM 0 HA PHE A 17 5.191 16.254 17.440 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.269 15.945 19.961 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.557 14.236 19.703 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.968 17.576 18.794 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.753 13.457 19.558 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.381 18.011 18.651 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.166 13.892 19.416 1.00 0.00 H new ATOM 0 HZ PHE A 17 10.984 16.168 18.961 1.00 0.00 H new ATOM 210 N MET A 18 4.653 13.177 16.765 1.00 0.00 N ATOM 211 CA MET A 18 5.102 12.021 15.991 1.00 0.00 C ATOM 212 C MET A 18 4.147 11.689 14.837 1.00 0.00 C ATOM 213 O MET A 18 3.350 10.755 14.927 1.00 0.00 O ATOM 214 CB MET A 18 5.260 10.809 16.913 1.00 0.00 C ATOM 215 CG MET A 18 5.883 9.598 16.236 1.00 0.00 C ATOM 216 SD MET A 18 6.104 8.215 17.367 1.00 0.00 S ATOM 217 CE MET A 18 7.183 8.954 18.591 1.00 0.00 C ATOM 0 H MET A 18 3.690 13.123 17.098 1.00 0.00 H new ATOM 0 HA MET A 18 6.065 12.274 15.549 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.875 11.092 17.767 1.00 0.00 H new ATOM 0 HB3 MET A 18 4.281 10.531 17.303 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.252 9.286 15.404 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.849 9.878 15.816 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.746 8.171 19.100 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.875 9.638 18.100 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.585 9.503 19.319 1.00 0.00 H new ATOM 227 N PRO A 19 4.200 12.469 13.744 1.00 0.00 N ATOM 228 CA PRO A 19 3.426 12.186 12.525 1.00 0.00 C ATOM 229 C PRO A 19 3.837 10.888 11.786 1.00 0.00 C ATOM 230 O PRO A 19 2.985 10.026 11.555 1.00 0.00 O ATOM 231 CB PRO A 19 3.668 13.419 11.636 1.00 0.00 C ATOM 232 CG PRO A 19 4.208 14.465 12.550 1.00 0.00 C ATOM 233 CD PRO A 19 4.955 13.728 13.624 1.00 0.00 C ATOM 0 HA PRO A 19 2.379 12.014 12.775 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.373 13.194 10.836 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.744 13.750 11.163 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.867 15.149 12.015 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.404 15.065 12.975 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.994 13.551 13.345 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.967 14.283 14.562 1.00 0.00 H new ATOM 241 N PRO A 20 5.129 10.700 11.401 1.00 0.00 N ATOM 242 CA PRO A 20 5.539 9.593 10.533 1.00 0.00 C ATOM 243 C PRO A 20 5.754 8.275 11.280 1.00 0.00 C ATOM 244 O PRO A 20 6.858 7.728 11.289 1.00 0.00 O ATOM 245 CB PRO A 20 6.865 10.081 9.920 1.00 0.00 C ATOM 246 CG PRO A 20 7.148 11.415 10.537 1.00 0.00 C ATOM 247 CD PRO A 20 6.292 11.508 11.765 1.00 0.00 C ATOM 0 HA PRO A 20 4.764 9.367 9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.671 9.378 10.128 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.785 10.163 8.836 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.204 11.508 10.792 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.916 12.221 9.841 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.800 11.114 12.645 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.016 12.538 11.991 1.00 0.00 H new ATOM 255 N GLU A 21 4.702 7.774 11.908 1.00 0.00 N ATOM 256 CA GLU A 21 4.738 6.449 12.519 1.00 0.00 C ATOM 257 C GLU A 21 3.939 5.471 11.660 1.00 0.00 C ATOM 258 O GLU A 21 4.114 4.255 11.737 1.00 0.00 O ATOM 259 CB GLU A 21 4.171 6.504 13.946 1.00 0.00 C ATOM 260 CG GLU A 21 4.261 5.187 14.708 1.00 0.00 C ATOM 261 CD GLU A 21 5.689 4.734 14.942 1.00 0.00 C ATOM 262 OE1 GLU A 21 6.364 5.311 15.817 1.00 0.00 O1- ATOM 263 OE2 GLU A 21 6.146 3.798 14.256 1.00 0.00 O ATOM 0 H GLU A 21 3.812 8.262 12.009 1.00 0.00 H new ATOM 0 HA GLU A 21 5.771 6.107 12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.704 7.272 14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.126 6.812 13.898 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.758 5.294 15.669 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.727 4.415 14.153 1.00 0.00 H new ATOM 270 N GLN A 22 3.081 6.023 10.815 1.00 0.00 N ATOM 271 CA GLN A 22 2.201 5.222 9.980 1.00 0.00 C ATOM 272 C GLN A 22 2.725 5.144 8.550 1.00 0.00 C ATOM 273 O GLN A 22 3.287 6.109 8.028 1.00 0.00 O ATOM 274 CB GLN A 22 0.789 5.816 9.995 1.00 0.00 C ATOM 275 CG GLN A 22 0.733 7.256 9.506 1.00 0.00 C ATOM 276 CD GLN A 22 -0.644 7.879 9.653 1.00 0.00 C ATOM 277 OE1 GLN A 22 -1.657 7.188 9.599 1.00 0.00 O ATOM 278 NE2 GLN A 22 -0.686 9.191 9.835 1.00 0.00 N ATOM 0 H GLN A 22 2.976 7.030 10.690 1.00 0.00 H new ATOM 0 HA GLN A 22 2.170 4.210 10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.138 5.203 9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.394 5.769 11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.457 7.851 10.063 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.031 7.290 8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.180 9.728 9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.584 9.663 9.936 1.00 0.00 H new ATOM 287 N GLU A 23 2.546 3.987 7.931 1.00 0.00 N ATOM 288 CA GLU A 23 2.933 3.782 6.540 1.00 0.00 C ATOM 289 C GLU A 23 1.710 3.833 5.630 1.00 0.00 C ATOM 290 O GLU A 23 0.697 3.199 5.920 1.00 0.00 O ATOM 291 CB GLU A 23 3.615 2.426 6.358 1.00 0.00 C ATOM 292 CG GLU A 23 4.948 2.285 7.069 1.00 0.00 C ATOM 293 CD GLU A 23 5.597 0.945 6.786 1.00 0.00 C ATOM 294 OE1 GLU A 23 5.436 0.435 5.654 1.00 0.00 O1- ATOM 295 OE2 GLU A 23 6.262 0.399 7.690 1.00 0.00 O ATOM 0 H GLU A 23 2.131 3.167 8.374 1.00 0.00 H new ATOM 0 HA GLU A 23 3.627 4.579 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.943 1.646 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.767 2.251 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.616 3.086 6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.801 2.398 8.143 1.00 0.00 H new ATOM 302 N THR A 24 1.801 4.590 4.542 1.00 0.00 N ATOM 303 CA THR A 24 0.765 4.578 3.521 1.00 0.00 C ATOM 304 C THR A 24 1.224 3.709 2.356 1.00 0.00 C ATOM 305 O THR A 24 2.104 4.104 1.587 1.00 0.00 O ATOM 306 CB THR A 24 0.473 6.001 3.003 1.00 0.00 C ATOM 307 OG1 THR A 24 0.276 6.896 4.104 1.00 0.00 O ATOM 308 CG2 THR A 24 -0.760 6.012 2.111 1.00 0.00 C ATOM 0 H THR A 24 2.581 5.218 4.346 1.00 0.00 H new ATOM 0 HA THR A 24 -0.148 4.178 3.962 1.00 0.00 H new ATOM 0 HB THR A 24 1.331 6.330 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.093 7.797 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.945 7.027 1.758 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.597 5.355 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.623 5.662 2.678 1.00 0.00 H new ATOM 316 N VAL A 25 0.638 2.529 2.230 1.00 0.00 N ATOM 317 CA VAL A 25 1.068 1.569 1.237 1.00 0.00 C ATOM 318 C VAL A 25 -0.136 0.932 0.527 1.00 0.00 C ATOM 319 O VAL A 25 -1.201 0.775 1.123 1.00 0.00 O ATOM 320 CB VAL A 25 1.953 0.513 1.935 1.00 0.00 C ATOM 321 CG1 VAL A 25 2.007 -0.777 1.151 1.00 0.00 C ATOM 322 CG2 VAL A 25 3.349 1.092 2.160 1.00 0.00 C ATOM 0 H VAL A 25 -0.141 2.216 2.809 1.00 0.00 H new ATOM 0 HA VAL A 25 1.650 2.067 0.462 1.00 0.00 H new ATOM 0 HB VAL A 25 1.512 0.268 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.639 -1.495 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.001 -1.185 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.420 -0.584 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.976 0.349 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.790 1.361 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.278 1.980 2.788 1.00 0.00 H new ATOM 332 N HIS A 26 0.017 0.605 -0.760 1.00 0.00 N ATOM 333 CA HIS A 26 -1.088 0.058 -1.542 1.00 0.00 C ATOM 334 C HIS A 26 -0.911 -1.441 -1.738 1.00 0.00 C ATOM 335 O HIS A 26 0.145 -1.902 -2.168 1.00 0.00 O ATOM 336 CB HIS A 26 -1.185 0.746 -2.911 1.00 0.00 C ATOM 337 CG HIS A 26 -1.564 2.195 -2.847 1.00 0.00 C ATOM 338 ND1 HIS A 26 -2.435 2.784 -3.742 1.00 0.00 N ATOM 339 CD2 HIS A 26 -1.172 3.181 -2.004 1.00 0.00 C ATOM 340 CE1 HIS A 26 -2.565 4.064 -3.451 1.00 0.00 C ATOM 341 NE2 HIS A 26 -1.811 4.332 -2.400 1.00 0.00 N ATOM 0 H HIS A 26 0.890 0.710 -1.276 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.010 0.242 -0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.225 0.656 -3.419 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.919 0.217 -3.519 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.905 2.304 -4.509 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.486 3.081 -1.176 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.183 4.773 -3.982 1.00 0.00 H new ATOM 350 N VAL A 27 -1.937 -2.205 -1.424 1.00 0.00 N ATOM 351 CA VAL A 27 -1.858 -3.649 -1.570 1.00 0.00 C ATOM 352 C VAL A 27 -2.730 -4.095 -2.742 1.00 0.00 C ATOM 353 O VAL A 27 -3.796 -3.524 -2.977 1.00 0.00 O ATOM 354 CB VAL A 27 -2.278 -4.382 -0.277 1.00 0.00 C ATOM 355 CG1 VAL A 27 -1.702 -5.786 -0.252 1.00 0.00 C ATOM 356 CG2 VAL A 27 -1.836 -3.607 0.959 1.00 0.00 C ATOM 0 H VAL A 27 -2.828 -1.858 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.819 -3.912 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.366 -4.449 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.008 -6.288 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.070 -6.346 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.614 -5.734 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.144 -4.145 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.751 -3.502 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.296 -2.619 0.953 1.00 0.00 H new ATOM 366 N PHE A 28 -2.260 -5.086 -3.489 1.00 0.00 N ATOM 367 CA PHE A 28 -2.938 -5.526 -4.703 1.00 0.00 C ATOM 368 C PHE A 28 -3.786 -6.766 -4.465 1.00 0.00 C ATOM 369 O PHE A 28 -3.261 -7.848 -4.206 1.00 0.00 O ATOM 370 CB PHE A 28 -1.911 -5.810 -5.798 1.00 0.00 C ATOM 371 CG PHE A 28 -1.783 -4.708 -6.808 1.00 0.00 C ATOM 372 CD1 PHE A 28 -1.730 -3.383 -6.409 1.00 0.00 C ATOM 373 CD2 PHE A 28 -1.730 -4.998 -8.162 1.00 0.00 C ATOM 374 CE1 PHE A 28 -1.624 -2.369 -7.339 1.00 0.00 C ATOM 375 CE2 PHE A 28 -1.626 -3.987 -9.098 1.00 0.00 C ATOM 376 CZ PHE A 28 -1.573 -2.670 -8.685 1.00 0.00 C ATOM 0 H PHE A 28 -1.407 -5.603 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.604 -4.722 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.939 -5.981 -5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.187 -6.731 -6.312 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.772 -3.140 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.770 -6.026 -8.489 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.581 -1.340 -7.014 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.586 -4.226 -10.150 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.492 -1.877 -9.414 1.00 0.00 H new ATOM 386 N ILE A 29 -5.098 -6.604 -4.567 1.00 0.00 N ATOM 387 CA ILE A 29 -6.019 -7.722 -4.437 1.00 0.00 C ATOM 388 C ILE A 29 -6.960 -7.795 -5.641 1.00 0.00 C ATOM 389 O ILE A 29 -7.685 -6.844 -5.941 1.00 0.00 O ATOM 390 CB ILE A 29 -6.831 -7.636 -3.124 1.00 0.00 C ATOM 391 CG1 ILE A 29 -7.471 -6.252 -2.965 1.00 0.00 C ATOM 392 CG2 ILE A 29 -5.936 -7.953 -1.936 1.00 0.00 C ATOM 393 CD1 ILE A 29 -8.136 -6.037 -1.620 1.00 0.00 C ATOM 0 H ILE A 29 -5.549 -5.705 -4.740 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.423 -8.634 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.634 -8.372 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.705 -5.489 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.211 -6.112 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.517 -7.890 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.533 -8.960 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.116 -7.236 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.566 -5.036 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.925 -6.776 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.396 -6.144 -0.827 1.00 0.00 H new ATOM 405 N PRO A 30 -6.921 -8.927 -6.372 1.00 0.00 N ATOM 406 CA PRO A 30 -7.748 -9.147 -7.569 1.00 0.00 C ATOM 407 C PRO A 30 -9.231 -8.871 -7.317 1.00 0.00 C ATOM 408 O PRO A 30 -9.761 -9.154 -6.240 1.00 0.00 O ATOM 409 CB PRO A 30 -7.528 -10.624 -7.885 1.00 0.00 C ATOM 410 CG PRO A 30 -6.191 -10.940 -7.315 1.00 0.00 C ATOM 411 CD PRO A 30 -6.057 -10.086 -6.085 1.00 0.00 C ATOM 0 HA PRO A 30 -7.470 -8.475 -8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.305 -11.244 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.553 -10.807 -8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.112 -11.998 -7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.399 -10.721 -8.031 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.383 -10.617 -5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.023 -9.784 -5.917 1.00 0.00 H new ATOM 419 N ALA A 31 -9.885 -8.335 -8.344 1.00 0.00 N ATOM 420 CA ALA A 31 -11.266 -7.864 -8.257 1.00 0.00 C ATOM 421 C ALA A 31 -12.231 -8.977 -7.865 1.00 0.00 C ATOM 422 O ALA A 31 -13.308 -8.714 -7.333 1.00 0.00 O ATOM 423 CB ALA A 31 -11.691 -7.248 -9.583 1.00 0.00 C ATOM 0 H ALA A 31 -9.469 -8.214 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.304 -7.109 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.721 -6.900 -9.509 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.040 -6.406 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.617 -7.996 -10.372 1.00 0.00 H new ATOM 429 N GLN A 32 -11.836 -10.219 -8.115 1.00 0.00 N ATOM 430 CA GLN A 32 -12.690 -11.361 -7.823 1.00 0.00 C ATOM 431 C GLN A 32 -12.562 -11.793 -6.365 1.00 0.00 C ATOM 432 O GLN A 32 -13.202 -12.753 -5.937 1.00 0.00 O ATOM 433 CB GLN A 32 -12.358 -12.525 -8.756 1.00 0.00 C ATOM 434 CG GLN A 32 -12.588 -12.201 -10.222 1.00 0.00 C ATOM 435 CD GLN A 32 -12.270 -13.360 -11.146 1.00 0.00 C ATOM 436 OE1 GLN A 32 -11.848 -13.156 -12.282 1.00 0.00 O ATOM 437 NE2 GLN A 32 -12.481 -14.577 -10.674 1.00 0.00 N ATOM 0 H GLN A 32 -10.931 -10.460 -8.519 1.00 0.00 H new ATOM 0 HA GLN A 32 -13.724 -11.058 -7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.316 -12.811 -8.613 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -12.966 -13.387 -8.481 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.628 -11.906 -10.364 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.973 -11.344 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.832 -14.702 -9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.292 -15.391 -11.259 1.00 0.00 H new ATOM 446 N ALA A 33 -11.731 -11.093 -5.600 1.00 0.00 N ATOM 447 CA ALA A 33 -11.635 -11.355 -4.177 1.00 0.00 C ATOM 448 C ALA A 33 -11.877 -10.090 -3.386 1.00 0.00 C ATOM 449 O ALA A 33 -12.485 -10.139 -2.324 1.00 0.00 O ATOM 450 CB ALA A 33 -10.278 -11.934 -3.820 1.00 0.00 C ATOM 0 H ALA A 33 -11.122 -10.349 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 33 -12.402 -12.086 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.233 -12.121 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.129 -12.870 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.496 -11.227 -4.098 1.00 0.00 H new ATOM 456 N VAL A 34 -11.471 -8.943 -3.948 1.00 0.00 N ATOM 457 CA VAL A 34 -11.631 -7.658 -3.269 1.00 0.00 C ATOM 458 C VAL A 34 -13.093 -7.427 -2.928 1.00 0.00 C ATOM 459 O VAL A 34 -13.423 -6.732 -1.960 1.00 0.00 O ATOM 460 CB VAL A 34 -11.103 -6.473 -4.119 1.00 0.00 C ATOM 461 CG1 VAL A 34 -11.948 -6.267 -5.364 1.00 0.00 C ATOM 462 CG2 VAL A 34 -11.056 -5.195 -3.293 1.00 0.00 C ATOM 0 H VAL A 34 -11.032 -8.883 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.037 -7.701 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.090 -6.720 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -11.552 -5.429 -5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.922 -7.170 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -12.977 -6.054 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.683 -4.377 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.058 -4.954 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.393 -5.338 -2.439 1.00 0.00 H new ATOM 472 N GLY A 35 -13.967 -8.038 -3.724 1.00 0.00 N ATOM 473 CA GLY A 35 -15.372 -7.949 -3.466 1.00 0.00 C ATOM 474 C GLY A 35 -15.715 -8.455 -2.091 1.00 0.00 C ATOM 475 O GLY A 35 -16.208 -7.709 -1.248 1.00 0.00 O ATOM 0 H GLY A 35 -13.714 -8.592 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.696 -6.913 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.917 -8.526 -4.213 1.00 0.00 H new ATOM 479 N ALA A 36 -15.346 -9.691 -1.830 1.00 0.00 N ATOM 480 CA ALA A 36 -15.715 -10.338 -0.591 1.00 0.00 C ATOM 481 C ALA A 36 -14.829 -9.874 0.559 1.00 0.00 C ATOM 482 O ALA A 36 -15.122 -10.136 1.728 1.00 0.00 O ATOM 483 CB ALA A 36 -15.673 -11.838 -0.761 1.00 0.00 C ATOM 0 H ALA A 36 -14.790 -10.268 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 36 -16.736 -10.053 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.952 -12.318 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.372 -12.135 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.665 -12.145 -1.040 1.00 0.00 H new ATOM 489 N ILE A 37 -13.724 -9.205 0.216 1.00 0.00 N ATOM 490 CA ILE A 37 -12.833 -8.634 1.224 1.00 0.00 C ATOM 491 C ILE A 37 -13.553 -7.514 1.965 1.00 0.00 C ATOM 492 O ILE A 37 -13.414 -7.367 3.181 1.00 0.00 O ATOM 493 CB ILE A 37 -11.508 -8.087 0.618 1.00 0.00 C ATOM 494 CG1 ILE A 37 -10.779 -9.159 -0.209 1.00 0.00 C ATOM 495 CG2 ILE A 37 -10.589 -7.565 1.716 1.00 0.00 C ATOM 496 CD1 ILE A 37 -11.000 -10.572 0.277 1.00 0.00 C ATOM 0 H ILE A 37 -13.428 -9.047 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.566 -9.438 1.909 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.771 -7.265 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.108 -9.088 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.710 -8.946 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.668 -7.187 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.088 -6.760 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.352 -8.374 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.452 -11.266 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.644 -10.664 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.064 -10.808 0.239 1.00 0.00 H new ATOM 508 N ILE A 38 -14.324 -6.727 1.220 1.00 0.00 N ATOM 509 CA ILE A 38 -15.191 -5.723 1.820 1.00 0.00 C ATOM 510 C ILE A 38 -16.259 -6.419 2.670 1.00 0.00 C ATOM 511 O ILE A 38 -16.528 -6.008 3.806 1.00 0.00 O ATOM 512 CB ILE A 38 -15.830 -4.827 0.737 1.00 0.00 C ATOM 513 CG1 ILE A 38 -14.731 -4.042 0.010 1.00 0.00 C ATOM 514 CG2 ILE A 38 -16.849 -3.879 1.346 1.00 0.00 C ATOM 515 CD1 ILE A 38 -15.248 -3.019 -0.981 1.00 0.00 C ATOM 0 H ILE A 38 -14.365 -6.766 0.202 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.597 -5.074 2.464 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.354 -5.460 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.113 -3.534 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.085 -4.745 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -17.284 -3.259 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.637 -4.455 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.359 -3.242 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.406 -2.509 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -15.841 -3.521 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.869 -2.290 -0.461 1.00 0.00 H new ATOM 527 N GLY A 39 -16.843 -7.476 2.115 1.00 0.00 N ATOM 528 CA GLY A 39 -17.605 -8.432 2.907 1.00 0.00 C ATOM 529 C GLY A 39 -18.933 -7.930 3.447 1.00 0.00 C ATOM 530 O GLY A 39 -18.963 -7.166 4.416 1.00 0.00 O ATOM 0 H GLY A 39 -16.802 -7.691 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.793 -9.315 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.989 -8.752 3.748 1.00 0.00 H new ATOM 534 N LYS A 40 -20.018 -8.390 2.804 1.00 0.00 N ATOM 535 CA LYS A 40 -21.401 -8.258 3.296 1.00 0.00 C ATOM 536 C LYS A 40 -21.701 -6.899 3.930 1.00 0.00 C ATOM 537 O LYS A 40 -21.394 -6.660 5.104 1.00 0.00 O ATOM 538 CB LYS A 40 -21.726 -9.394 4.272 1.00 0.00 C ATOM 539 CG LYS A 40 -21.657 -10.779 3.633 1.00 0.00 C ATOM 540 CD LYS A 40 -22.050 -11.882 4.604 1.00 0.00 C ATOM 541 CE LYS A 40 -21.817 -13.268 4.007 1.00 0.00 C ATOM 542 NZ LYS A 40 -22.759 -13.590 2.898 1.00 0.00 N1+ ATOM 0 H LYS A 40 -19.958 -8.875 1.908 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.047 -8.328 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -21.030 -9.353 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.725 -9.239 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -22.316 -10.810 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.645 -10.960 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.474 -11.780 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -23.101 -11.773 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.794 -13.331 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.919 -14.017 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.553 -14.542 2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.736 -13.559 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.646 -12.894 2.134 1.00 0.00 H new ATOM 556 N LYS A 41 -22.316 -6.027 3.130 1.00 0.00 N ATOM 557 CA LYS A 41 -22.686 -4.664 3.535 1.00 0.00 C ATOM 558 C LYS A 41 -21.466 -3.744 3.559 1.00 0.00 C ATOM 559 O LYS A 41 -21.590 -2.526 3.442 1.00 0.00 O ATOM 560 CB LYS A 41 -23.380 -4.644 4.904 1.00 0.00 C ATOM 561 CG LYS A 41 -24.048 -3.319 5.223 1.00 0.00 C ATOM 562 CD LYS A 41 -24.262 -3.145 6.718 1.00 0.00 C ATOM 563 CE LYS A 41 -22.977 -2.728 7.419 1.00 0.00 C ATOM 564 NZ LYS A 41 -23.158 -2.641 8.892 1.00 0.00 N1+ ATOM 0 H LYS A 41 -22.576 -6.248 2.169 1.00 0.00 H new ATOM 0 HA LYS A 41 -23.391 -4.295 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -24.128 -5.436 4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -22.646 -4.868 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.434 -2.501 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -25.007 -3.261 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -25.033 -2.394 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -24.625 -4.079 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -22.189 -3.445 7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.650 -1.762 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.258 -2.371 9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -23.881 -1.926 9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.462 -3.565 9.260 1.00 0.00 H new ATOM 578 N GLY A 42 -20.288 -4.333 3.700 1.00 0.00 N ATOM 579 CA GLY A 42 -19.074 -3.554 3.761 1.00 0.00 C ATOM 580 C GLY A 42 -18.693 -3.212 5.181 1.00 0.00 C ATOM 581 O GLY A 42 -17.976 -2.243 5.425 1.00 0.00 O ATOM 0 H GLY A 42 -20.153 -5.341 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -18.262 -4.110 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -19.204 -2.635 3.189 1.00 0.00 H new ATOM 585 N GLN A 43 -19.174 -4.006 6.129 1.00 0.00 N ATOM 586 CA GLN A 43 -18.873 -3.756 7.526 1.00 0.00 C ATOM 587 C GLN A 43 -17.578 -4.441 7.940 1.00 0.00 C ATOM 588 O GLN A 43 -16.919 -3.999 8.874 1.00 0.00 O ATOM 589 CB GLN A 43 -20.022 -4.200 8.434 1.00 0.00 C ATOM 590 CG GLN A 43 -20.384 -5.671 8.320 1.00 0.00 C ATOM 591 CD GLN A 43 -21.502 -6.056 9.268 1.00 0.00 C ATOM 592 OE1 GLN A 43 -22.679 -5.976 8.922 1.00 0.00 O ATOM 593 NE2 GLN A 43 -21.142 -6.471 10.474 1.00 0.00 N ATOM 0 H GLN A 43 -19.767 -4.818 5.956 1.00 0.00 H new ATOM 0 HA GLN A 43 -18.746 -2.680 7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -19.755 -3.984 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -20.904 -3.603 8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -20.685 -5.892 7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -19.504 -6.278 8.532 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -20.154 -6.523 10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -21.853 -6.738 11.155 1.00 0.00 H new ATOM 602 N HIS A 44 -17.204 -5.504 7.234 1.00 0.00 N ATOM 603 CA HIS A 44 -15.995 -6.253 7.578 1.00 0.00 C ATOM 604 C HIS A 44 -14.752 -5.402 7.359 1.00 0.00 C ATOM 605 O HIS A 44 -13.860 -5.362 8.204 1.00 0.00 O ATOM 606 CB HIS A 44 -15.890 -7.547 6.759 1.00 0.00 C ATOM 607 CG HIS A 44 -16.820 -8.635 7.205 1.00 0.00 C ATOM 608 ND1 HIS A 44 -18.053 -8.980 6.766 1.00 0.00 N flip ATOM 609 CD2 HIS A 44 -16.510 -9.534 8.205 1.00 0.00 C flip ATOM 610 CE1 HIS A 44 -18.456 -10.067 7.497 1.00 0.00 C flip ATOM 611 NE2 HIS A 44 -17.510 -10.382 8.358 1.00 0.00 N flip ATOM 0 H HIS A 44 -17.713 -5.865 6.428 1.00 0.00 H new ATOM 0 HA HIS A 44 -16.063 -6.517 8.633 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -16.092 -7.319 5.713 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.866 -7.916 6.813 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -18.584 -8.517 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.592 -9.542 8.774 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -19.398 -10.583 7.385 1.00 0.00 H new ATOM 620 N ILE A 45 -14.715 -4.710 6.228 1.00 0.00 N ATOM 621 CA ILE A 45 -13.569 -3.886 5.859 1.00 0.00 C ATOM 622 C ILE A 45 -13.320 -2.756 6.863 1.00 0.00 C ATOM 623 O ILE A 45 -12.199 -2.568 7.327 1.00 0.00 O ATOM 624 CB ILE A 45 -13.748 -3.282 4.448 1.00 0.00 C ATOM 625 CG1 ILE A 45 -12.658 -2.241 4.175 1.00 0.00 C ATOM 626 CG2 ILE A 45 -15.139 -2.675 4.287 1.00 0.00 C ATOM 627 CD1 ILE A 45 -12.817 -1.517 2.860 1.00 0.00 C ATOM 0 H ILE A 45 -15.472 -4.703 5.544 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.702 -4.547 5.865 1.00 0.00 H new ATOM 0 HB ILE A 45 -13.650 -4.082 3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.658 -1.510 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.686 -2.734 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.240 -2.257 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.893 -3.448 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -15.279 -1.886 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.007 -0.797 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.786 -2.237 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.773 -0.993 2.846 1.00 0.00 H new ATOM 639 N LYS A 46 -14.365 -2.015 7.206 1.00 0.00 N ATOM 640 CA LYS A 46 -14.207 -0.861 8.081 1.00 0.00 C ATOM 641 C LYS A 46 -14.058 -1.293 9.534 1.00 0.00 C ATOM 642 O LYS A 46 -13.545 -0.543 10.367 1.00 0.00 O ATOM 643 CB LYS A 46 -15.364 0.128 7.907 1.00 0.00 C ATOM 644 CG LYS A 46 -16.730 -0.417 8.283 1.00 0.00 C ATOM 645 CD LYS A 46 -17.825 0.583 7.947 1.00 0.00 C ATOM 646 CE LYS A 46 -19.168 0.148 8.500 1.00 0.00 C ATOM 647 NZ LYS A 46 -19.216 0.234 9.986 1.00 0.00 N1+ ATOM 0 H LYS A 46 -15.321 -2.189 6.896 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.290 -0.346 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.162 1.012 8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.392 0.453 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.911 -1.352 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.754 -0.644 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.563 1.560 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.896 0.696 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -19.954 0.773 8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.373 -0.877 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.201 0.143 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.646 -0.533 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.835 1.152 10.293 1.00 0.00 H new ATOM 661 N GLN A 47 -14.518 -2.500 9.836 1.00 0.00 N ATOM 662 CA GLN A 47 -14.297 -3.098 11.146 1.00 0.00 C ATOM 663 C GLN A 47 -12.817 -3.417 11.309 1.00 0.00 C ATOM 664 O GLN A 47 -12.249 -3.264 12.393 1.00 0.00 O ATOM 665 CB GLN A 47 -15.134 -4.368 11.297 1.00 0.00 C ATOM 666 CG GLN A 47 -15.053 -5.004 12.674 1.00 0.00 C ATOM 667 CD GLN A 47 -15.877 -6.271 12.771 1.00 0.00 C ATOM 668 OE1 GLN A 47 -15.384 -7.372 12.531 1.00 0.00 O ATOM 669 NE2 GLN A 47 -17.143 -6.121 13.121 1.00 0.00 N ATOM 0 H GLN A 47 -15.048 -3.085 9.190 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.602 -2.394 11.921 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.175 -4.132 11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.809 -5.095 10.553 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -14.013 -5.231 12.906 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.398 -4.291 13.422 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.513 -5.190 13.311 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.750 -6.937 13.201 1.00 0.00 H new ATOM 678 N LEU A 48 -12.203 -3.840 10.206 1.00 0.00 N ATOM 679 CA LEU A 48 -10.778 -4.140 10.176 1.00 0.00 C ATOM 680 C LEU A 48 -9.977 -2.927 10.617 1.00 0.00 C ATOM 681 O LEU A 48 -9.007 -3.049 11.363 1.00 0.00 O ATOM 682 CB LEU A 48 -10.350 -4.551 8.763 1.00 0.00 C ATOM 683 CG LEU A 48 -8.927 -5.105 8.647 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.958 -6.615 8.464 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.183 -4.443 7.499 1.00 0.00 C ATOM 0 H LEU A 48 -12.678 -3.983 9.315 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.585 -4.966 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.047 -5.304 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.440 -3.685 8.107 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.395 -4.879 9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.939 -6.993 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.449 -7.075 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.509 -6.860 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.175 -4.852 7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.712 -4.634 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.129 -3.368 7.672 1.00 0.00 H new ATOM 697 N SER A 49 -10.409 -1.756 10.160 1.00 0.00 N ATOM 698 CA SER A 49 -9.758 -0.501 10.497 1.00 0.00 C ATOM 699 C SER A 49 -9.700 -0.304 12.011 1.00 0.00 C ATOM 700 O SER A 49 -8.700 0.175 12.548 1.00 0.00 O ATOM 701 CB SER A 49 -10.523 0.659 9.855 1.00 0.00 C ATOM 702 OG SER A 49 -10.947 0.323 8.541 1.00 0.00 O ATOM 0 H SER A 49 -11.218 -1.653 9.548 1.00 0.00 H new ATOM 0 HA SER A 49 -8.737 -0.527 10.116 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.389 0.912 10.467 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.888 1.544 9.821 1.00 0.00 H new ATOM 0 HG SER A 49 -11.435 1.078 8.151 1.00 0.00 H new ATOM 708 N ARG A 50 -10.770 -0.701 12.696 1.00 0.00 N ATOM 709 CA ARG A 50 -10.882 -0.485 14.128 1.00 0.00 C ATOM 710 C ARG A 50 -9.928 -1.371 14.925 1.00 0.00 C ATOM 711 O ARG A 50 -9.176 -0.871 15.758 1.00 0.00 O ATOM 712 CB ARG A 50 -12.321 -0.719 14.586 1.00 0.00 C ATOM 713 CG ARG A 50 -13.323 0.249 13.978 1.00 0.00 C ATOM 714 CD ARG A 50 -12.988 1.701 14.308 1.00 0.00 C ATOM 715 NE ARG A 50 -12.633 1.886 15.717 1.00 0.00 N ATOM 716 CZ ARG A 50 -12.776 3.032 16.387 1.00 0.00 C ATOM 717 NH1 ARG A 50 -13.362 4.081 15.823 1.00 0.00 N1+ ATOM 718 NH2 ARG A 50 -12.344 3.115 17.638 1.00 0.00 N ATOM 0 H ARG A 50 -11.571 -1.174 12.277 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.601 0.550 14.321 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.613 -1.738 14.330 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.365 -0.638 15.672 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.343 0.118 12.896 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.322 0.015 14.346 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.160 2.031 13.681 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.843 2.332 14.066 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.251 1.085 16.220 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.710 4.018 14.866 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.465 4.950 16.346 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.906 2.307 18.081 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.449 3.987 18.157 1.00 0.00 H new ATOM 732 N PHE A 51 -9.933 -2.680 14.671 1.00 0.00 N ATOM 733 CA PHE A 51 -9.103 -3.589 15.464 1.00 0.00 C ATOM 734 C PHE A 51 -7.646 -3.559 15.009 1.00 0.00 C ATOM 735 O PHE A 51 -6.774 -4.165 15.634 1.00 0.00 O ATOM 736 CB PHE A 51 -9.657 -5.027 15.472 1.00 0.00 C ATOM 737 CG PHE A 51 -9.776 -5.698 14.125 1.00 0.00 C ATOM 738 CD1 PHE A 51 -8.649 -6.101 13.422 1.00 0.00 C ATOM 739 CD2 PHE A 51 -11.024 -5.953 13.581 1.00 0.00 C ATOM 740 CE1 PHE A 51 -8.768 -6.743 12.206 1.00 0.00 C ATOM 741 CE2 PHE A 51 -11.147 -6.593 12.362 1.00 0.00 C ATOM 742 CZ PHE A 51 -10.019 -6.989 11.676 1.00 0.00 C ATOM 0 H PHE A 51 -10.488 -3.127 13.941 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.138 -3.228 16.492 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.015 -5.639 16.105 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.643 -5.013 15.937 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.668 -5.910 13.831 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -11.912 -5.648 14.116 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.883 -7.053 11.669 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -12.126 -6.783 11.947 1.00 0.00 H new ATOM 0 HZ PHE A 51 -10.114 -7.491 10.725 1.00 0.00 H new ATOM 752 N ALA A 52 -7.383 -2.858 13.918 1.00 0.00 N ATOM 753 CA ALA A 52 -6.018 -2.639 13.481 1.00 0.00 C ATOM 754 C ALA A 52 -5.515 -1.276 13.946 1.00 0.00 C ATOM 755 O ALA A 52 -4.320 -0.997 13.902 1.00 0.00 O ATOM 756 CB ALA A 52 -5.905 -2.762 11.968 1.00 0.00 C ATOM 0 H ALA A 52 -8.094 -2.434 13.323 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.392 -3.409 13.932 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.871 -2.593 11.665 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.215 -3.761 11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.547 -2.020 11.494 1.00 0.00 H new ATOM 762 N SER A 53 -6.457 -0.442 14.404 1.00 0.00 N ATOM 763 CA SER A 53 -6.166 0.919 14.855 1.00 0.00 C ATOM 764 C SER A 53 -5.477 1.725 13.757 1.00 0.00 C ATOM 765 O SER A 53 -4.577 2.525 14.023 1.00 0.00 O ATOM 766 CB SER A 53 -5.309 0.893 16.125 1.00 0.00 C ATOM 767 OG SER A 53 -6.010 0.285 17.202 1.00 0.00 O ATOM 0 H SER A 53 -7.443 -0.695 14.471 1.00 0.00 H new ATOM 0 HA SER A 53 -7.112 1.408 15.087 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.385 0.347 15.933 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.027 1.910 16.398 1.00 0.00 H new ATOM 0 HG SER A 53 -5.442 0.279 18.000 1.00 0.00 H new ATOM 773 N ALA A 54 -5.929 1.532 12.527 1.00 0.00 N ATOM 774 CA ALA A 54 -5.293 2.145 11.375 1.00 0.00 C ATOM 775 C ALA A 54 -6.339 2.599 10.369 1.00 0.00 C ATOM 776 O ALA A 54 -7.531 2.346 10.548 1.00 0.00 O ATOM 777 CB ALA A 54 -4.330 1.159 10.736 1.00 0.00 C ATOM 0 H ALA A 54 -6.738 0.953 12.302 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.735 3.022 11.703 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.855 1.623 9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.567 0.874 11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.876 0.272 10.417 1.00 0.00 H new ATOM 783 N SER A 55 -5.889 3.274 9.323 1.00 0.00 N ATOM 784 CA SER A 55 -6.780 3.742 8.277 1.00 0.00 C ATOM 785 C SER A 55 -6.851 2.706 7.162 1.00 0.00 C ATOM 786 O SER A 55 -5.912 2.549 6.379 1.00 0.00 O ATOM 787 CB SER A 55 -6.303 5.091 7.724 1.00 0.00 C ATOM 788 OG SER A 55 -7.214 5.614 6.768 1.00 0.00 O ATOM 0 H SER A 55 -4.907 3.510 9.177 1.00 0.00 H new ATOM 0 HA SER A 55 -7.776 3.881 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.187 5.800 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.322 4.971 7.265 1.00 0.00 H new ATOM 0 HG SER A 55 -6.728 6.170 6.123 1.00 0.00 H new ATOM 794 N ILE A 56 -7.956 1.980 7.125 1.00 0.00 N ATOM 795 CA ILE A 56 -8.178 0.963 6.110 1.00 0.00 C ATOM 796 C ILE A 56 -9.289 1.410 5.166 1.00 0.00 C ATOM 797 O ILE A 56 -10.435 1.598 5.586 1.00 0.00 O ATOM 798 CB ILE A 56 -8.523 -0.416 6.740 1.00 0.00 C ATOM 799 CG1 ILE A 56 -7.259 -1.127 7.243 1.00 0.00 C ATOM 800 CG2 ILE A 56 -9.264 -1.313 5.756 1.00 0.00 C ATOM 801 CD1 ILE A 56 -6.618 -0.494 8.459 1.00 0.00 C ATOM 0 H ILE A 56 -8.720 2.078 7.793 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.252 0.840 5.548 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.179 -0.222 7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.510 -2.161 7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.527 -1.152 6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.488 -2.268 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -10.194 -0.831 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.641 -1.483 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.733 -1.064 8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.331 0.531 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.328 -0.493 9.286 1.00 0.00 H new ATOM 813 N LYS A 57 -8.931 1.618 3.904 1.00 0.00 N ATOM 814 CA LYS A 57 -9.883 2.053 2.885 1.00 0.00 C ATOM 815 C LYS A 57 -9.556 1.391 1.552 1.00 0.00 C ATOM 816 O LYS A 57 -8.405 1.061 1.287 1.00 0.00 O ATOM 817 CB LYS A 57 -9.841 3.580 2.728 1.00 0.00 C ATOM 818 CG LYS A 57 -10.360 4.346 3.938 1.00 0.00 C ATOM 819 CD LYS A 57 -10.160 5.848 3.785 1.00 0.00 C ATOM 820 CE LYS A 57 -8.685 6.220 3.766 1.00 0.00 C ATOM 821 NZ LYS A 57 -8.481 7.686 3.617 1.00 0.00 N1+ ATOM 0 H LYS A 57 -7.980 1.491 3.559 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.885 1.759 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.813 3.886 2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.429 3.861 1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.420 4.133 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.846 4.000 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.632 6.186 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.656 6.367 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.214 5.880 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.191 5.700 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.462 7.896 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.908 8.007 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.930 8.182 4.413 1.00 0.00 H new ATOM 835 N ILE A 58 -10.565 1.189 0.720 1.00 0.00 N ATOM 836 CA ILE A 58 -10.356 0.601 -0.597 1.00 0.00 C ATOM 837 C ILE A 58 -10.010 1.685 -1.613 1.00 0.00 C ATOM 838 O ILE A 58 -10.649 2.734 -1.654 1.00 0.00 O ATOM 839 CB ILE A 58 -11.601 -0.188 -1.072 1.00 0.00 C ATOM 840 CG1 ILE A 58 -11.774 -1.475 -0.259 1.00 0.00 C ATOM 841 CG2 ILE A 58 -11.516 -0.511 -2.555 1.00 0.00 C ATOM 842 CD1 ILE A 58 -10.627 -2.456 -0.398 1.00 0.00 C ATOM 0 H ILE A 58 -11.535 1.422 0.931 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.523 -0.098 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.473 0.446 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.889 -1.214 0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.697 -1.966 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.404 -1.065 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -11.454 0.415 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.629 -1.115 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.828 -3.339 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.524 -2.749 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.703 -1.986 -0.060 1.00 0.00 H new ATOM 854 N ALA A 59 -8.997 1.421 -2.427 1.00 0.00 N ATOM 855 CA ALA A 59 -8.549 2.370 -3.432 1.00 0.00 C ATOM 856 C ALA A 59 -9.195 2.064 -4.776 1.00 0.00 C ATOM 857 O ALA A 59 -8.984 0.991 -5.344 1.00 0.00 O ATOM 858 CB ALA A 59 -7.032 2.335 -3.553 1.00 0.00 C ATOM 0 H ALA A 59 -8.467 0.549 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.850 3.371 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.711 3.051 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.584 2.595 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.713 1.334 -3.842 1.00 0.00 H new ATOM 864 N PRO A 60 -10.006 3.000 -5.290 1.00 0.00 N ATOM 865 CA PRO A 60 -10.672 2.845 -6.584 1.00 0.00 C ATOM 866 C PRO A 60 -9.673 2.732 -7.733 1.00 0.00 C ATOM 867 O PRO A 60 -8.762 3.553 -7.862 1.00 0.00 O ATOM 868 CB PRO A 60 -11.508 4.124 -6.722 1.00 0.00 C ATOM 869 CG PRO A 60 -10.902 5.096 -5.770 1.00 0.00 C ATOM 870 CD PRO A 60 -10.344 4.278 -4.645 1.00 0.00 C ATOM 0 HA PRO A 60 -11.267 1.933 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.479 4.504 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.554 3.938 -6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.119 5.680 -6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.648 5.803 -5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.467 4.749 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.072 4.145 -3.845 1.00 0.00 H new ATOM 878 N PRO A 61 -9.821 1.700 -8.571 1.00 0.00 N ATOM 879 CA PRO A 61 -8.934 1.483 -9.712 1.00 0.00 C ATOM 880 C PRO A 61 -9.158 2.522 -10.803 1.00 0.00 C ATOM 881 O PRO A 61 -10.227 3.139 -10.881 1.00 0.00 O ATOM 882 CB PRO A 61 -9.329 0.090 -10.205 1.00 0.00 C ATOM 883 CG PRO A 61 -10.744 -0.076 -9.775 1.00 0.00 C ATOM 884 CD PRO A 61 -10.868 0.667 -8.475 1.00 0.00 C ATOM 0 HA PRO A 61 -7.881 1.566 -9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.232 0.011 -11.288 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.690 -0.679 -9.771 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.429 0.326 -10.522 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.993 -1.130 -9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.858 1.108 -8.357 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.707 0.010 -7.620 1.00 0.00 H new ATOM 892 N GLU A 62 -8.143 2.715 -11.639 1.00 0.00 N ATOM 893 CA GLU A 62 -8.210 3.689 -12.719 1.00 0.00 C ATOM 894 C GLU A 62 -9.272 3.298 -13.736 1.00 0.00 C ATOM 895 O GLU A 62 -9.909 4.157 -14.344 1.00 0.00 O ATOM 896 CB GLU A 62 -6.854 3.808 -13.405 1.00 0.00 C ATOM 897 CG GLU A 62 -5.737 4.214 -12.462 1.00 0.00 C ATOM 898 CD GLU A 62 -4.387 4.231 -13.141 1.00 0.00 C ATOM 899 OE1 GLU A 62 -3.777 3.152 -13.278 1.00 0.00 O1- ATOM 900 OE2 GLU A 62 -3.930 5.323 -13.538 1.00 0.00 O ATOM 0 H GLU A 62 -7.261 2.206 -11.587 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.480 4.654 -12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.602 2.852 -13.865 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.925 4.540 -14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.949 5.203 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.708 3.524 -11.619 1.00 0.00 H new ATOM 907 N THR A 63 -9.450 1.998 -13.913 1.00 0.00 N ATOM 908 CA THR A 63 -10.458 1.468 -14.814 1.00 0.00 C ATOM 909 C THR A 63 -11.274 0.382 -14.114 1.00 0.00 C ATOM 910 O THR A 63 -10.721 -0.469 -13.416 1.00 0.00 O ATOM 911 CB THR A 63 -9.802 0.893 -16.087 1.00 0.00 C ATOM 912 OG1 THR A 63 -8.661 0.098 -15.733 1.00 0.00 O ATOM 913 CG2 THR A 63 -9.379 2.006 -17.037 1.00 0.00 C ATOM 0 H THR A 63 -8.900 1.283 -13.437 1.00 0.00 H new ATOM 0 HA THR A 63 -11.122 2.283 -15.102 1.00 0.00 H new ATOM 0 HB THR A 63 -10.537 0.269 -16.595 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.251 -0.265 -16.545 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.920 1.572 -17.925 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.254 2.588 -17.328 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.660 2.656 -16.538 1.00 0.00 H new ATOM 921 N PRO A 64 -12.608 0.412 -14.275 1.00 0.00 N ATOM 922 CA PRO A 64 -13.518 -0.557 -13.642 1.00 0.00 C ATOM 923 C PRO A 64 -13.339 -1.978 -14.180 1.00 0.00 C ATOM 924 O PRO A 64 -13.898 -2.930 -13.638 1.00 0.00 O ATOM 925 CB PRO A 64 -14.919 -0.031 -13.992 1.00 0.00 C ATOM 926 CG PRO A 64 -14.711 1.372 -14.457 1.00 0.00 C ATOM 927 CD PRO A 64 -13.341 1.408 -15.065 1.00 0.00 C ATOM 0 HA PRO A 64 -13.331 -0.633 -12.571 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.384 -0.638 -14.769 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.579 -0.064 -13.125 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.469 1.658 -15.186 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.788 2.074 -13.626 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.361 1.149 -16.124 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.890 2.397 -14.987 1.00 0.00 H new ATOM 935 N ASP A 65 -12.571 -2.111 -15.255 1.00 0.00 N ATOM 936 CA ASP A 65 -12.297 -3.416 -15.854 1.00 0.00 C ATOM 937 C ASP A 65 -11.018 -4.026 -15.274 1.00 0.00 C ATOM 938 O ASP A 65 -10.640 -5.149 -15.611 1.00 0.00 O ATOM 939 CB ASP A 65 -12.192 -3.274 -17.379 1.00 0.00 C ATOM 940 CG ASP A 65 -11.812 -4.561 -18.093 1.00 0.00 C ATOM 941 OD1 ASP A 65 -12.540 -5.567 -17.965 1.00 0.00 O ATOM 942 OD2 ASP A 65 -10.787 -4.561 -18.812 1.00 0.00 O1- ATOM 0 H ASP A 65 -12.124 -1.329 -15.733 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.120 -4.090 -15.619 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.148 -2.923 -17.768 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.452 -2.508 -17.613 1.00 0.00 H new ATOM 947 N SER A 66 -10.370 -3.287 -14.382 1.00 0.00 N ATOM 948 CA SER A 66 -9.126 -3.735 -13.773 1.00 0.00 C ATOM 949 C SER A 66 -9.310 -5.091 -13.090 1.00 0.00 C ATOM 950 O SER A 66 -10.268 -5.307 -12.344 1.00 0.00 O ATOM 951 CB SER A 66 -8.631 -2.696 -12.762 1.00 0.00 C ATOM 952 OG SER A 66 -7.338 -3.025 -12.276 1.00 0.00 O ATOM 0 H SER A 66 -10.688 -2.371 -14.064 1.00 0.00 H new ATOM 0 HA SER A 66 -8.381 -3.849 -14.560 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.606 -1.712 -13.231 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.331 -2.634 -11.928 1.00 0.00 H new ATOM 0 HG SER A 66 -7.343 -3.010 -11.296 1.00 0.00 H new ATOM 958 N LYS A 67 -8.377 -5.997 -13.358 1.00 0.00 N ATOM 959 CA LYS A 67 -8.415 -7.346 -12.806 1.00 0.00 C ATOM 960 C LYS A 67 -8.102 -7.328 -11.313 1.00 0.00 C ATOM 961 O LYS A 67 -8.467 -8.244 -10.577 1.00 0.00 O ATOM 962 CB LYS A 67 -7.414 -8.234 -13.563 1.00 0.00 C ATOM 963 CG LYS A 67 -7.037 -9.538 -12.861 1.00 0.00 C ATOM 964 CD LYS A 67 -8.227 -10.464 -12.649 1.00 0.00 C ATOM 965 CE LYS A 67 -8.823 -10.928 -13.969 1.00 0.00 C ATOM 966 NZ LYS A 67 -9.815 -12.021 -13.783 1.00 0.00 N1+ ATOM 0 H LYS A 67 -7.575 -5.818 -13.962 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.418 -7.755 -12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.833 -8.475 -14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.505 -7.659 -13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.281 -10.056 -13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.586 -9.308 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.914 -11.331 -12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.990 -9.948 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.303 -10.085 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.024 -11.272 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.473 -12.033 -14.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.320 -12.934 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.347 -11.861 -12.903 1.00 0.00 H new ATOM 980 N VAL A 68 -7.444 -6.276 -10.866 1.00 0.00 N ATOM 981 CA VAL A 68 -7.082 -6.148 -9.466 1.00 0.00 C ATOM 982 C VAL A 68 -7.410 -4.744 -8.963 1.00 0.00 C ATOM 983 O VAL A 68 -7.347 -3.773 -9.719 1.00 0.00 O ATOM 984 CB VAL A 68 -5.579 -6.481 -9.261 1.00 0.00 C ATOM 985 CG1 VAL A 68 -4.729 -5.792 -10.317 1.00 0.00 C ATOM 986 CG2 VAL A 68 -5.103 -6.091 -7.871 1.00 0.00 C ATOM 0 H VAL A 68 -7.148 -5.496 -11.453 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.665 -6.862 -8.884 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.467 -7.560 -9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.679 -6.038 -10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.034 -6.131 -11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.864 -4.713 -10.246 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.047 -6.339 -7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.240 -5.019 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.680 -6.634 -7.123 1.00 0.00 H new ATOM 996 N ARG A 69 -7.780 -4.647 -7.698 1.00 0.00 N ATOM 997 CA ARG A 69 -8.102 -3.371 -7.093 1.00 0.00 C ATOM 998 C ARG A 69 -7.143 -3.121 -5.939 1.00 0.00 C ATOM 999 O ARG A 69 -6.715 -4.060 -5.267 1.00 0.00 O ATOM 1000 CB ARG A 69 -9.550 -3.366 -6.597 1.00 0.00 C ATOM 1001 CG ARG A 69 -10.037 -1.993 -6.167 1.00 0.00 C ATOM 1002 CD ARG A 69 -11.407 -2.049 -5.509 1.00 0.00 C ATOM 1003 NE ARG A 69 -12.480 -2.432 -6.428 1.00 0.00 N ATOM 1004 CZ ARG A 69 -13.780 -2.293 -6.140 1.00 0.00 C ATOM 1005 NH1 ARG A 69 -14.158 -1.738 -4.993 1.00 0.00 N1+ ATOM 1006 NH2 ARG A 69 -14.708 -2.684 -7.004 1.00 0.00 N ATOM 0 H ARG A 69 -7.865 -5.444 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.998 -2.577 -7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.198 -3.742 -7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.641 -4.055 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.320 -1.556 -5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.080 -1.336 -7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.376 -2.759 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.636 -1.073 -5.082 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.224 -2.825 -7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.456 -1.415 -4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.150 -1.635 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.433 -3.095 -7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.696 -2.574 -6.776 1.00 0.00 H new ATOM 1020 N MET A 70 -6.787 -1.868 -5.722 1.00 0.00 N ATOM 1021 CA MET A 70 -5.849 -1.527 -4.667 1.00 0.00 C ATOM 1022 C MET A 70 -6.584 -1.312 -3.358 1.00 0.00 C ATOM 1023 O MET A 70 -7.740 -0.891 -3.346 1.00 0.00 O ATOM 1024 CB MET A 70 -5.072 -0.253 -5.004 1.00 0.00 C ATOM 1025 CG MET A 70 -4.317 -0.296 -6.319 1.00 0.00 C ATOM 1026 SD MET A 70 -3.317 1.187 -6.569 1.00 0.00 S ATOM 1027 CE MET A 70 -2.738 0.931 -8.246 1.00 0.00 C ATOM 0 H MET A 70 -7.131 -1.072 -6.259 1.00 0.00 H new ATOM 0 HA MET A 70 -5.150 -2.358 -4.573 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.769 0.585 -5.029 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.363 -0.054 -4.201 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.674 -1.176 -6.340 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.025 -0.399 -7.141 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.658 1.070 -8.283 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.985 -0.082 -8.565 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.219 1.648 -8.911 1.00 0.00 H new ATOM 1037 N VAL A 71 -5.924 -1.617 -2.263 1.00 0.00 N ATOM 1038 CA VAL A 71 -6.412 -1.245 -0.957 1.00 0.00 C ATOM 1039 C VAL A 71 -5.401 -0.317 -0.289 1.00 0.00 C ATOM 1040 O VAL A 71 -4.195 -0.581 -0.308 1.00 0.00 O ATOM 1041 CB VAL A 71 -6.687 -2.487 -0.081 1.00 0.00 C ATOM 1042 CG1 VAL A 71 -5.497 -3.432 -0.067 1.00 0.00 C ATOM 1043 CG2 VAL A 71 -7.053 -2.074 1.331 1.00 0.00 C ATOM 0 H VAL A 71 -5.040 -2.126 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.361 -0.721 -1.072 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.531 -3.020 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.725 -4.295 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.286 -3.766 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.626 -2.914 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.243 -2.963 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.231 -1.508 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.949 -1.453 1.308 1.00 0.00 H new ATOM 1053 N VAL A 72 -5.888 0.787 0.256 1.00 0.00 N ATOM 1054 CA VAL A 72 -5.027 1.757 0.905 1.00 0.00 C ATOM 1055 C VAL A 72 -4.820 1.376 2.356 1.00 0.00 C ATOM 1056 O VAL A 72 -5.708 1.558 3.197 1.00 0.00 O ATOM 1057 CB VAL A 72 -5.592 3.194 0.841 1.00 0.00 C ATOM 1058 CG1 VAL A 72 -4.646 4.177 1.519 1.00 0.00 C ATOM 1059 CG2 VAL A 72 -5.847 3.610 -0.597 1.00 0.00 C ATOM 0 H VAL A 72 -6.878 1.032 0.260 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.080 1.746 0.365 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.542 3.206 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.064 5.182 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.517 3.896 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.679 4.157 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.244 4.625 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.913 3.575 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.567 2.929 -1.050 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.661 0.816 2.631 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.284 0.489 3.982 1.00 0.00 C ATOM 1071 C ILE A 73 -2.456 1.610 4.574 1.00 0.00 C ATOM 1072 O ILE A 73 -1.391 1.957 4.057 1.00 0.00 O ATOM 1073 CB ILE A 73 -2.521 -0.856 4.047 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -3.515 -1.998 4.197 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -1.511 -0.881 5.188 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -4.364 -1.848 5.432 1.00 0.00 C ATOM 0 H ILE A 73 -2.961 0.578 1.928 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.193 0.374 4.572 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.963 -0.974 3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.158 -2.037 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.976 -2.944 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.997 -1.842 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.783 -0.082 5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.029 -0.736 6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.059 -2.685 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.724 -1.836 6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.924 -0.915 5.377 1.00 0.00 H new ATOM 1088 N THR A 74 -2.973 2.213 5.624 1.00 0.00 N ATOM 1089 CA THR A 74 -2.236 3.234 6.327 1.00 0.00 C ATOM 1090 C THR A 74 -2.226 2.955 7.823 1.00 0.00 C ATOM 1091 O THR A 74 -3.235 3.127 8.508 1.00 0.00 O ATOM 1092 CB THR A 74 -2.813 4.635 6.051 1.00 0.00 C ATOM 1093 OG1 THR A 74 -2.938 4.832 4.635 1.00 0.00 O ATOM 1094 CG2 THR A 74 -1.918 5.719 6.638 1.00 0.00 C ATOM 0 H THR A 74 -3.897 2.013 6.006 1.00 0.00 H new ATOM 0 HA THR A 74 -1.211 3.213 5.958 1.00 0.00 H new ATOM 0 HB THR A 74 -3.793 4.703 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.307 5.723 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.348 6.699 6.429 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.838 5.580 7.716 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.927 5.655 6.189 1.00 0.00 H new ATOM 1102 N GLY A 75 -1.081 2.514 8.323 1.00 0.00 N ATOM 1103 CA GLY A 75 -0.975 2.154 9.717 1.00 0.00 C ATOM 1104 C GLY A 75 0.448 2.023 10.176 1.00 0.00 C ATOM 1105 O GLY A 75 1.357 1.901 9.353 1.00 0.00 O ATOM 0 H GLY A 75 -0.222 2.400 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.479 2.908 10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.495 1.211 9.885 1.00 0.00 H new ATOM 1109 N PRO A 76 0.671 2.061 11.491 1.00 0.00 N ATOM 1110 CA PRO A 76 1.974 1.772 12.068 1.00 0.00 C ATOM 1111 C PRO A 76 2.325 0.292 11.923 1.00 0.00 C ATOM 1112 O PRO A 76 1.428 -0.531 11.753 1.00 0.00 O ATOM 1113 CB PRO A 76 1.810 2.155 13.543 1.00 0.00 C ATOM 1114 CG PRO A 76 0.350 2.023 13.805 1.00 0.00 C ATOM 1115 CD PRO A 76 -0.332 2.398 12.518 1.00 0.00 C ATOM 0 HA PRO A 76 2.781 2.315 11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 76 2.390 1.497 14.190 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.156 3.172 13.729 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.096 1.005 14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.038 2.678 14.618 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.257 1.839 12.375 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -0.592 3.456 12.494 1.00 0.00 H new ATOM 1123 N PRO A 77 3.615 -0.044 11.927 1.00 0.00 N ATOM 1124 CA PRO A 77 4.109 -1.418 11.743 1.00 0.00 C ATOM 1125 C PRO A 77 3.257 -2.494 12.439 1.00 0.00 C ATOM 1126 O PRO A 77 2.971 -3.539 11.847 1.00 0.00 O ATOM 1127 CB PRO A 77 5.508 -1.332 12.341 1.00 0.00 C ATOM 1128 CG PRO A 77 5.956 0.051 12.001 1.00 0.00 C ATOM 1129 CD PRO A 77 4.718 0.916 12.054 1.00 0.00 C ATOM 0 HA PRO A 77 4.078 -1.731 10.699 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.493 -1.494 13.419 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.172 -2.084 11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.708 0.402 12.708 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.411 0.081 11.011 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.658 1.472 12.989 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.706 1.648 11.246 1.00 0.00 H new ATOM 1137 N GLU A 78 2.835 -2.230 13.677 1.00 0.00 N ATOM 1138 CA GLU A 78 1.960 -3.152 14.405 1.00 0.00 C ATOM 1139 C GLU A 78 0.693 -3.433 13.604 1.00 0.00 C ATOM 1140 O GLU A 78 0.322 -4.587 13.382 1.00 0.00 O ATOM 1141 CB GLU A 78 1.567 -2.567 15.764 1.00 0.00 C ATOM 1142 CG GLU A 78 0.687 -3.494 16.589 1.00 0.00 C ATOM 1143 CD GLU A 78 0.124 -2.823 17.823 1.00 0.00 C ATOM 1144 OE1 GLU A 78 0.885 -2.614 18.789 1.00 0.00 O1- ATOM 1145 OE2 GLU A 78 -1.086 -2.502 17.834 1.00 0.00 O ATOM 0 H GLU A 78 3.084 -1.388 14.196 1.00 0.00 H new ATOM 0 HA GLU A 78 2.510 -4.081 14.556 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.471 -2.339 16.328 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.043 -1.624 15.608 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.135 -3.854 15.970 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.267 -4.367 16.888 1.00 0.00 H new ATOM 1152 N ALA A 79 0.052 -2.362 13.153 1.00 0.00 N ATOM 1153 CA ALA A 79 -1.177 -2.456 12.383 1.00 0.00 C ATOM 1154 C ALA A 79 -0.931 -3.170 11.064 1.00 0.00 C ATOM 1155 O ALA A 79 -1.771 -3.944 10.605 1.00 0.00 O ATOM 1156 CB ALA A 79 -1.748 -1.070 12.139 1.00 0.00 C ATOM 0 H ALA A 79 0.371 -1.406 13.312 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.901 -3.037 12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.669 -1.152 11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.961 -0.591 13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.025 -0.471 11.586 1.00 0.00 H new ATOM 1162 N GLN A 80 0.237 -2.918 10.481 1.00 0.00 N ATOM 1163 CA GLN A 80 0.642 -3.562 9.237 1.00 0.00 C ATOM 1164 C GLN A 80 0.601 -5.082 9.371 1.00 0.00 C ATOM 1165 O GLN A 80 0.248 -5.788 8.425 1.00 0.00 O ATOM 1166 CB GLN A 80 2.063 -3.135 8.847 1.00 0.00 C ATOM 1167 CG GLN A 80 2.202 -1.675 8.432 1.00 0.00 C ATOM 1168 CD GLN A 80 1.441 -1.356 7.164 1.00 0.00 C ATOM 1169 OE1 GLN A 80 1.203 -2.231 6.332 1.00 0.00 O ATOM 1170 NE2 GLN A 80 1.079 -0.093 6.988 1.00 0.00 N ATOM 0 H GLN A 80 0.926 -2.265 10.855 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.059 -3.251 8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.728 -3.323 9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.404 -3.765 8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.842 -1.036 9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.257 -1.441 8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.295 0.603 7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.585 0.182 6.139 1.00 0.00 H new ATOM 1179 N PHE A 81 0.947 -5.576 10.556 1.00 0.00 N ATOM 1180 CA PHE A 81 1.071 -7.009 10.779 1.00 0.00 C ATOM 1181 C PHE A 81 -0.288 -7.707 10.748 1.00 0.00 C ATOM 1182 O PHE A 81 -0.483 -8.634 9.968 1.00 0.00 O ATOM 1183 CB PHE A 81 1.771 -7.279 12.114 1.00 0.00 C ATOM 1184 CG PHE A 81 2.150 -8.723 12.318 1.00 0.00 C ATOM 1185 CD1 PHE A 81 3.383 -9.192 11.893 1.00 0.00 C ATOM 1186 CD2 PHE A 81 1.275 -9.608 12.930 1.00 0.00 C ATOM 1187 CE1 PHE A 81 3.736 -10.516 12.077 1.00 0.00 C ATOM 1188 CE2 PHE A 81 1.625 -10.932 13.114 1.00 0.00 C ATOM 1189 CZ PHE A 81 2.857 -11.386 12.688 1.00 0.00 C ATOM 0 H PHE A 81 1.146 -5.003 11.376 1.00 0.00 H new ATOM 0 HA PHE A 81 1.673 -7.418 9.967 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.670 -6.665 12.174 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.116 -6.966 12.927 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.075 -8.516 11.413 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.310 -9.259 13.266 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.700 -10.869 11.742 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.935 -11.612 13.591 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.132 -12.420 12.833 1.00 0.00 H new ATOM 1199 N LYS A 82 -1.232 -7.266 11.579 1.00 0.00 N ATOM 1200 CA LYS A 82 -2.525 -7.947 11.649 1.00 0.00 C ATOM 1201 C LYS A 82 -3.397 -7.640 10.432 1.00 0.00 C ATOM 1202 O LYS A 82 -4.141 -8.505 9.972 1.00 0.00 O ATOM 1203 CB LYS A 82 -3.283 -7.661 12.961 1.00 0.00 C ATOM 1204 CG LYS A 82 -3.587 -6.199 13.257 1.00 0.00 C ATOM 1205 CD LYS A 82 -2.475 -5.557 14.067 1.00 0.00 C ATOM 1206 CE LYS A 82 -2.940 -4.283 14.757 1.00 0.00 C ATOM 1207 NZ LYS A 82 -3.905 -4.560 15.857 1.00 0.00 N1+ ATOM 0 H LYS A 82 -1.132 -6.462 12.198 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.302 -9.014 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.225 -8.209 12.939 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.699 -8.064 13.789 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.718 -5.656 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.527 -6.124 13.803 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.115 -6.264 14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.634 -5.329 13.412 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.076 -3.753 15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.406 -3.624 14.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.862 -3.793 16.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.867 -4.620 15.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.660 -5.461 16.315 1.00 0.00 H new ATOM 1221 N ALA A 83 -3.297 -6.426 9.899 1.00 0.00 N ATOM 1222 CA ALA A 83 -4.078 -6.054 8.724 1.00 0.00 C ATOM 1223 C ALA A 83 -3.739 -6.960 7.545 1.00 0.00 C ATOM 1224 O ALA A 83 -4.623 -7.570 6.940 1.00 0.00 O ATOM 1225 CB ALA A 83 -3.842 -4.597 8.360 1.00 0.00 C ATOM 0 H ALA A 83 -2.689 -5.690 10.258 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.134 -6.181 8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.434 -4.341 7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.138 -3.961 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.785 -4.443 8.143 1.00 0.00 H new ATOM 1231 N GLN A 84 -2.453 -7.067 7.241 1.00 0.00 N ATOM 1232 CA GLN A 84 -2.002 -7.895 6.134 1.00 0.00 C ATOM 1233 C GLN A 84 -2.036 -9.375 6.502 1.00 0.00 C ATOM 1234 O GLN A 84 -2.264 -10.222 5.642 1.00 0.00 O ATOM 1235 CB GLN A 84 -0.605 -7.480 5.677 1.00 0.00 C ATOM 1236 CG GLN A 84 -0.594 -6.144 4.950 1.00 0.00 C ATOM 1237 CD GLN A 84 0.771 -5.783 4.401 1.00 0.00 C ATOM 1238 OE1 GLN A 84 1.123 -6.168 3.287 1.00 0.00 O ATOM 1239 NE2 GLN A 84 1.537 -5.022 5.164 1.00 0.00 N ATOM 0 H GLN A 84 -1.705 -6.591 7.745 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.690 -7.742 5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.053 -7.422 6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.199 -8.249 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.313 -6.176 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.924 -5.361 5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.207 -4.724 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.458 -4.733 4.834 1.00 0.00 H new ATOM 1248 N GLY A 85 -1.817 -9.678 7.777 1.00 0.00 N ATOM 1249 CA GLY A 85 -1.883 -11.054 8.243 1.00 0.00 C ATOM 1250 C GLY A 85 -3.194 -11.713 7.880 1.00 0.00 C ATOM 1251 O GLY A 85 -3.224 -12.855 7.422 1.00 0.00 O ATOM 0 H GLY A 85 -1.594 -8.994 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.060 -11.623 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.753 -11.077 9.325 1.00 0.00 H new ATOM 1255 N ARG A 86 -4.279 -10.981 8.070 1.00 0.00 N ATOM 1256 CA ARG A 86 -5.593 -11.461 7.689 1.00 0.00 C ATOM 1257 C ARG A 86 -5.756 -11.393 6.177 1.00 0.00 C ATOM 1258 O ARG A 86 -6.249 -12.332 5.549 1.00 0.00 O ATOM 1259 CB ARG A 86 -6.687 -10.624 8.359 1.00 0.00 C ATOM 1260 CG ARG A 86 -6.542 -10.515 9.866 1.00 0.00 C ATOM 1261 CD ARG A 86 -6.563 -11.873 10.535 1.00 0.00 C ATOM 1262 NE ARG A 86 -6.323 -11.773 11.970 1.00 0.00 N ATOM 1263 CZ ARG A 86 -6.984 -12.479 12.882 1.00 0.00 C ATOM 1264 NH1 ARG A 86 -7.892 -13.372 12.507 1.00 0.00 N1+ ATOM 1265 NH2 ARG A 86 -6.732 -12.307 14.172 1.00 0.00 N ATOM 0 H ARG A 86 -4.274 -10.050 8.487 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.688 -12.496 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.678 -9.622 7.930 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.658 -11.062 8.128 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.608 -10.007 10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.350 -9.901 10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.528 -12.350 10.360 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.805 -12.513 10.083 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.606 -11.123 12.293 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.084 -13.518 11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.397 -13.912 13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.028 -11.631 14.468 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.242 -12.851 14.868 1.00 0.00 H new ATOM 1279 N ILE A 87 -5.303 -10.284 5.597 1.00 0.00 N ATOM 1280 CA ILE A 87 -5.555 -9.988 4.191 1.00 0.00 C ATOM 1281 C ILE A 87 -4.897 -11.018 3.259 1.00 0.00 C ATOM 1282 O ILE A 87 -5.472 -11.375 2.234 1.00 0.00 O ATOM 1283 CB ILE A 87 -5.115 -8.541 3.836 1.00 0.00 C ATOM 1284 CG1 ILE A 87 -6.131 -7.875 2.898 1.00 0.00 C ATOM 1285 CG2 ILE A 87 -3.729 -8.513 3.218 1.00 0.00 C ATOM 1286 CD1 ILE A 87 -6.269 -8.541 1.544 1.00 0.00 C ATOM 0 H ILE A 87 -4.757 -9.573 6.083 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.631 -10.059 4.034 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.077 -7.976 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.106 -7.867 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.841 -6.835 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.456 -7.484 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.008 -8.928 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.726 -9.107 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.007 -8.004 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.307 -8.525 1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.592 -9.574 1.678 1.00 0.00 H new ATOM 1298 N TYR A 88 -3.715 -11.522 3.615 1.00 0.00 N ATOM 1299 CA TYR A 88 -3.083 -12.567 2.813 1.00 0.00 C ATOM 1300 C TYR A 88 -3.938 -13.828 2.847 1.00 0.00 C ATOM 1301 O TYR A 88 -3.971 -14.601 1.890 1.00 0.00 O ATOM 1302 CB TYR A 88 -1.659 -12.888 3.285 1.00 0.00 C ATOM 1303 CG TYR A 88 -0.594 -11.916 2.812 1.00 0.00 C ATOM 1304 CD1 TYR A 88 -0.608 -10.579 3.185 1.00 0.00 C ATOM 1305 CD2 TYR A 88 0.428 -12.351 1.978 1.00 0.00 C ATOM 1306 CE1 TYR A 88 0.365 -9.704 2.738 1.00 0.00 C ATOM 1307 CE2 TYR A 88 1.406 -11.487 1.530 1.00 0.00 C ATOM 1308 CZ TYR A 88 1.370 -10.162 1.912 1.00 0.00 C ATOM 1309 OH TYR A 88 2.329 -9.291 1.453 1.00 0.00 O ATOM 0 H TYR A 88 -3.186 -11.230 4.437 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.007 -12.193 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.650 -12.912 4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.395 -13.888 2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.391 -10.217 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.458 -13.387 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.338 -8.666 3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.194 -11.846 0.885 1.00 0.00 H new ATOM 0 HH TYR A 88 2.300 -8.465 1.979 1.00 0.00 H new ATOM 1319 N GLY A 89 -4.636 -14.015 3.960 1.00 0.00 N ATOM 1320 CA GLY A 89 -5.589 -15.100 4.072 1.00 0.00 C ATOM 1321 C GLY A 89 -6.749 -14.928 3.110 1.00 0.00 C ATOM 1322 O GLY A 89 -7.350 -15.906 2.669 1.00 0.00 O ATOM 0 H GLY A 89 -4.557 -13.430 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.088 -16.047 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.967 -15.149 5.093 1.00 0.00 H new ATOM 1326 N LYS A 90 -7.071 -13.677 2.788 1.00 0.00 N ATOM 1327 CA LYS A 90 -8.106 -13.379 1.803 1.00 0.00 C ATOM 1328 C LYS A 90 -7.639 -13.791 0.411 1.00 0.00 C ATOM 1329 O LYS A 90 -8.435 -14.197 -0.432 1.00 0.00 O ATOM 1330 CB LYS A 90 -8.459 -11.892 1.813 1.00 0.00 C ATOM 1331 CG LYS A 90 -9.395 -11.462 2.939 1.00 0.00 C ATOM 1332 CD LYS A 90 -8.699 -11.418 4.282 1.00 0.00 C ATOM 1333 CE LYS A 90 -9.544 -10.710 5.325 1.00 0.00 C ATOM 1334 NZ LYS A 90 -10.804 -11.447 5.617 1.00 0.00 N1+ ATOM 0 H LYS A 90 -6.629 -12.853 3.196 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.999 -13.946 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.537 -11.315 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.920 -11.636 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.804 -10.477 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.237 -12.152 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.484 -12.433 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.742 -10.907 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.968 -10.599 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.784 -9.706 4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.327 -10.956 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.390 -11.487 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.577 -12.414 5.926 1.00 0.00 H new ATOM 1348 N LEU A 91 -6.342 -13.668 0.171 1.00 0.00 N ATOM 1349 CA LEU A 91 -5.742 -14.170 -1.055 1.00 0.00 C ATOM 1350 C LEU A 91 -5.858 -15.691 -1.124 1.00 0.00 C ATOM 1351 O LEU A 91 -6.135 -16.250 -2.186 1.00 0.00 O ATOM 1352 CB LEU A 91 -4.277 -13.736 -1.139 1.00 0.00 C ATOM 1353 CG LEU A 91 -4.037 -12.322 -1.679 1.00 0.00 C ATOM 1354 CD1 LEU A 91 -4.369 -12.268 -3.156 1.00 0.00 C ATOM 1355 CD2 LEU A 91 -4.866 -11.294 -0.924 1.00 0.00 C ATOM 0 H LEU A 91 -5.684 -13.224 0.811 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.279 -13.750 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.838 -13.805 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.742 -14.444 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.984 -12.080 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.196 -11.259 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.735 -12.971 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.415 -12.535 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.673 -10.301 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.925 -11.531 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.595 -11.312 0.132 1.00 0.00 H new ATOM 1367 N LYS A 92 -5.652 -16.355 0.014 1.00 0.00 N ATOM 1368 CA LYS A 92 -5.804 -17.804 0.097 1.00 0.00 C ATOM 1369 C LYS A 92 -7.266 -18.218 0.023 1.00 0.00 C ATOM 1370 O LYS A 92 -7.578 -19.355 -0.322 1.00 0.00 O ATOM 1371 CB LYS A 92 -5.183 -18.345 1.380 1.00 0.00 C ATOM 1372 CG LYS A 92 -3.844 -19.004 1.138 1.00 0.00 C ATOM 1373 CD LYS A 92 -2.677 -18.101 1.494 1.00 0.00 C ATOM 1374 CE LYS A 92 -1.359 -18.650 0.951 1.00 0.00 C ATOM 1375 NZ LYS A 92 -1.216 -20.113 1.181 1.00 0.00 N1+ ATOM 0 H LYS A 92 -5.379 -15.910 0.890 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.281 -18.230 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.060 -17.530 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.863 -19.066 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.782 -19.920 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.769 -19.292 0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.851 -17.104 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.611 -17.999 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.296 -18.445 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.528 -18.128 1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.225 -20.392 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.499 -20.340 2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.824 -20.630 0.515 1.00 0.00 H new ATOM 1389 N GLU A 93 -8.152 -17.291 0.349 1.00 0.00 N ATOM 1390 CA GLU A 93 -9.590 -17.534 0.289 1.00 0.00 C ATOM 1391 C GLU A 93 -9.984 -18.050 -1.097 1.00 0.00 C ATOM 1392 O GLU A 93 -10.690 -19.049 -1.221 1.00 0.00 O ATOM 1393 CB GLU A 93 -10.349 -16.241 0.611 1.00 0.00 C ATOM 1394 CG GLU A 93 -11.856 -16.403 0.735 1.00 0.00 C ATOM 1395 CD GLU A 93 -12.263 -17.195 1.956 1.00 0.00 C ATOM 1396 OE1 GLU A 93 -12.304 -16.612 3.062 1.00 0.00 O1- ATOM 1397 OE2 GLU A 93 -12.547 -18.402 1.820 1.00 0.00 O ATOM 0 H GLU A 93 -7.900 -16.353 0.661 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.852 -18.292 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.963 -15.832 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.139 -15.509 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.320 -15.418 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.238 -16.899 -0.157 1.00 0.00 H new ATOM 1404 N GLU A 94 -9.491 -17.383 -2.134 1.00 0.00 N ATOM 1405 CA GLU A 94 -9.810 -17.760 -3.509 1.00 0.00 C ATOM 1406 C GLU A 94 -8.585 -18.294 -4.253 1.00 0.00 C ATOM 1407 O GLU A 94 -8.677 -18.607 -5.440 1.00 0.00 O ATOM 1408 CB GLU A 94 -10.395 -16.561 -4.255 1.00 0.00 C ATOM 1409 CG GLU A 94 -11.811 -16.213 -3.837 1.00 0.00 C ATOM 1410 CD GLU A 94 -12.796 -17.306 -4.194 1.00 0.00 C ATOM 1411 OE1 GLU A 94 -13.185 -17.394 -5.379 1.00 0.00 O1- ATOM 1412 OE2 GLU A 94 -13.172 -18.093 -3.299 1.00 0.00 O ATOM 0 H GLU A 94 -8.869 -16.579 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.547 -18.562 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.754 -15.695 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.382 -16.769 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.838 -16.038 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.112 -15.283 -4.319 1.00 0.00 H new ATOM 1419 N ASN A 95 -7.458 -18.412 -3.544 1.00 0.00 N ATOM 1420 CA ASN A 95 -6.239 -19.052 -4.072 1.00 0.00 C ATOM 1421 C ASN A 95 -5.931 -18.641 -5.510 1.00 0.00 C ATOM 1422 O ASN A 95 -5.875 -19.486 -6.408 1.00 0.00 O ATOM 1423 CB ASN A 95 -6.354 -20.580 -3.990 1.00 0.00 C ATOM 1424 CG ASN A 95 -6.130 -21.118 -2.590 1.00 0.00 C ATOM 1425 OD1 ASN A 95 -5.332 -20.579 -1.819 1.00 0.00 O ATOM 1426 ND2 ASN A 95 -6.839 -22.182 -2.245 1.00 0.00 N ATOM 0 H ASN A 95 -7.360 -18.068 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.415 -18.707 -3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.342 -20.883 -4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.628 -21.030 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.735 -22.584 -1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.489 -22.600 -2.911 1.00 0.00 H new ATOM 1433 N PHE A 96 -5.731 -17.347 -5.723 1.00 0.00 N ATOM 1434 CA PHE A 96 -5.418 -16.834 -7.055 1.00 0.00 C ATOM 1435 C PHE A 96 -3.999 -17.202 -7.460 1.00 0.00 C ATOM 1436 O PHE A 96 -3.765 -17.691 -8.568 1.00 0.00 O ATOM 1437 CB PHE A 96 -5.587 -15.313 -7.100 1.00 0.00 C ATOM 1438 CG PHE A 96 -7.013 -14.865 -7.019 1.00 0.00 C ATOM 1439 CD1 PHE A 96 -7.812 -14.874 -8.151 1.00 0.00 C ATOM 1440 CD2 PHE A 96 -7.556 -14.436 -5.819 1.00 0.00 C ATOM 1441 CE1 PHE A 96 -9.126 -14.463 -8.090 1.00 0.00 C ATOM 1442 CE2 PHE A 96 -8.871 -14.026 -5.755 1.00 0.00 C ATOM 1443 CZ PHE A 96 -9.657 -14.039 -6.890 1.00 0.00 C ATOM 0 H PHE A 96 -5.779 -16.634 -4.995 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.113 -17.292 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.028 -14.869 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.148 -14.934 -8.023 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -7.400 -15.207 -9.092 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -6.946 -14.423 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -9.738 -14.473 -8.980 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -9.287 -13.694 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.687 -13.717 -6.838 1.00 0.00 H new ATOM 1453 N PHE A 97 -3.069 -16.980 -6.542 1.00 0.00 N ATOM 1454 CA PHE A 97 -1.651 -17.240 -6.773 1.00 0.00 C ATOM 1455 C PHE A 97 -1.383 -18.727 -6.989 1.00 0.00 C ATOM 1456 O PHE A 97 -0.416 -19.103 -7.650 1.00 0.00 O ATOM 1457 CB PHE A 97 -0.837 -16.729 -5.581 1.00 0.00 C ATOM 1458 CG PHE A 97 -1.430 -17.140 -4.269 1.00 0.00 C ATOM 1459 CD1 PHE A 97 -1.074 -18.338 -3.677 1.00 0.00 C ATOM 1460 CD2 PHE A 97 -2.371 -16.342 -3.643 1.00 0.00 C ATOM 1461 CE1 PHE A 97 -1.647 -18.731 -2.488 1.00 0.00 C ATOM 1462 CE2 PHE A 97 -2.942 -16.728 -2.453 1.00 0.00 C ATOM 1463 CZ PHE A 97 -2.582 -17.925 -1.879 1.00 0.00 C ATOM 0 H PHE A 97 -3.275 -16.613 -5.613 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.350 -16.713 -7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.183 -17.108 -5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.776 -15.642 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.339 -18.972 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.661 -15.405 -4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.363 -19.669 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.671 -16.093 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.034 -18.233 -0.948 1.00 0.00 H new ATOM 1473 N GLY A 98 -2.246 -19.563 -6.428 1.00 0.00 N ATOM 1474 CA GLY A 98 -2.077 -20.997 -6.534 1.00 0.00 C ATOM 1475 C GLY A 98 -2.659 -21.726 -5.337 1.00 0.00 C ATOM 1476 O GLY A 98 -2.773 -21.145 -4.257 1.00 0.00 O ATOM 0 H GLY A 98 -3.066 -19.270 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.558 -21.353 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.016 -21.232 -6.621 1.00 0.00 H new ATOM 1480 N PRO A 99 -3.054 -22.999 -5.506 1.00 0.00 N ATOM 1481 CA PRO A 99 -3.620 -23.813 -4.419 1.00 0.00 C ATOM 1482 C PRO A 99 -2.614 -24.090 -3.295 1.00 0.00 C ATOM 1483 O PRO A 99 -2.795 -23.636 -2.165 1.00 0.00 O ATOM 1484 CB PRO A 99 -4.023 -25.122 -5.116 1.00 0.00 C ATOM 1485 CG PRO A 99 -4.043 -24.804 -6.574 1.00 0.00 C ATOM 1486 CD PRO A 99 -3.009 -23.736 -6.775 1.00 0.00 C ATOM 0 HA PRO A 99 -4.449 -23.303 -3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.312 -25.919 -4.897 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -5.000 -25.464 -4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.813 -25.687 -7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.029 -24.457 -6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -2.022 -24.159 -6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.248 -23.095 -7.624 1.00 0.00 H new ATOM 1494 N LYS A 100 -1.553 -24.830 -3.606 1.00 0.00 N ATOM 1495 CA LYS A 100 -0.530 -25.158 -2.611 1.00 0.00 C ATOM 1496 C LYS A 100 0.578 -24.110 -2.610 1.00 0.00 C ATOM 1497 O LYS A 100 1.436 -24.096 -1.727 1.00 0.00 O ATOM 1498 CB LYS A 100 0.076 -26.546 -2.869 1.00 0.00 C ATOM 1499 CG LYS A 100 -0.747 -27.712 -2.330 1.00 0.00 C ATOM 1500 CD LYS A 100 -2.066 -27.891 -3.069 1.00 0.00 C ATOM 1501 CE LYS A 100 -2.784 -29.150 -2.606 1.00 0.00 C ATOM 1502 NZ LYS A 100 -4.087 -29.330 -3.292 1.00 0.00 N1+ ATOM 0 H LYS A 100 -1.377 -25.214 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.016 -25.167 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.206 -26.677 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.069 -26.583 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.164 -28.630 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.948 -27.551 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.702 -27.022 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.881 -27.947 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.152 -30.018 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.945 -29.101 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.543 -30.199 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.700 -28.514 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.932 -29.403 -4.318 1.00 0.00 H new ATOM 1516 N GLU A 101 0.542 -23.239 -3.606 1.00 0.00 N ATOM 1517 CA GLU A 101 1.528 -22.177 -3.744 1.00 0.00 C ATOM 1518 C GLU A 101 1.535 -21.275 -2.509 1.00 0.00 C ATOM 1519 O GLU A 101 0.483 -20.912 -1.978 1.00 0.00 O ATOM 1520 CB GLU A 101 1.219 -21.360 -5.005 1.00 0.00 C ATOM 1521 CG GLU A 101 2.114 -20.144 -5.215 1.00 0.00 C ATOM 1522 CD GLU A 101 3.586 -20.491 -5.346 1.00 0.00 C ATOM 1523 OE1 GLU A 101 3.999 -20.985 -6.417 1.00 0.00 O1- ATOM 1524 OE2 GLU A 101 4.343 -20.253 -4.385 1.00 0.00 O ATOM 0 H GLU A 101 -0.168 -23.247 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 101 2.519 -22.622 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.307 -22.012 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.182 -21.027 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.792 -19.616 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.984 -19.458 -4.378 1.00 0.00 H new ATOM 1531 N GLU A 102 2.734 -20.951 -2.042 1.00 0.00 N ATOM 1532 CA GLU A 102 2.906 -19.994 -0.961 1.00 0.00 C ATOM 1533 C GLU A 102 2.355 -18.650 -1.390 1.00 0.00 C ATOM 1534 O GLU A 102 2.580 -18.228 -2.525 1.00 0.00 O ATOM 1535 CB GLU A 102 4.385 -19.863 -0.610 1.00 0.00 C ATOM 1536 CG GLU A 102 4.933 -21.053 0.158 1.00 0.00 C ATOM 1537 CD GLU A 102 4.332 -21.157 1.544 1.00 0.00 C ATOM 1538 OE1 GLU A 102 3.161 -21.570 1.660 1.00 0.00 O1- ATOM 1539 OE2 GLU A 102 5.020 -20.794 2.519 1.00 0.00 O ATOM 0 H GLU A 102 3.606 -21.341 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 102 2.367 -20.342 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.959 -19.738 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.531 -18.960 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.727 -21.969 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.017 -20.966 0.238 1.00 0.00 H new ATOM 1546 N VAL A 103 1.638 -17.980 -0.486 1.00 0.00 N ATOM 1547 CA VAL A 103 0.955 -16.745 -0.837 1.00 0.00 C ATOM 1548 C VAL A 103 1.903 -15.759 -1.488 1.00 0.00 C ATOM 1549 O VAL A 103 2.970 -15.446 -0.960 1.00 0.00 O ATOM 1550 CB VAL A 103 0.248 -16.066 0.359 1.00 0.00 C ATOM 1551 CG1 VAL A 103 1.236 -15.619 1.429 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -0.596 -14.898 -0.137 1.00 0.00 C ATOM 0 H VAL A 103 1.519 -18.272 0.484 1.00 0.00 H new ATOM 0 HA VAL A 103 0.181 -17.037 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.406 -16.801 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.695 -15.148 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.782 -16.484 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.939 -14.905 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.092 -14.423 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.045 -14.172 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.346 -15.263 -0.839 1.00 0.00 H new ATOM 1562 N LYS A 104 1.512 -15.319 -2.657 1.00 0.00 N ATOM 1563 CA LYS A 104 2.270 -14.355 -3.409 1.00 0.00 C ATOM 1564 C LYS A 104 1.409 -13.124 -3.633 1.00 0.00 C ATOM 1565 O LYS A 104 0.653 -13.044 -4.600 1.00 0.00 O ATOM 1566 CB LYS A 104 2.682 -14.970 -4.739 1.00 0.00 C ATOM 1567 CG LYS A 104 3.676 -16.119 -4.627 1.00 0.00 C ATOM 1568 CD LYS A 104 4.983 -15.681 -3.984 1.00 0.00 C ATOM 1569 CE LYS A 104 6.034 -16.781 -4.052 1.00 0.00 C ATOM 1570 NZ LYS A 104 5.596 -18.024 -3.359 1.00 0.00 N1+ ATOM 0 H LYS A 104 0.653 -15.622 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 104 3.169 -14.067 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.789 -15.329 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.117 -14.191 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.235 -16.924 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.877 -16.522 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.356 -14.788 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.805 -15.410 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.253 -17.007 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.960 -16.424 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.414 -18.470 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.879 -17.788 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.189 -18.683 -4.053 1.00 0.00 H new ATOM 1584 N LEU A 105 1.509 -12.181 -2.719 1.00 0.00 N ATOM 1585 CA LEU A 105 0.649 -11.015 -2.738 1.00 0.00 C ATOM 1586 C LEU A 105 1.456 -9.789 -3.152 1.00 0.00 C ATOM 1587 O LEU A 105 2.487 -9.485 -2.552 1.00 0.00 O ATOM 1588 CB LEU A 105 0.034 -10.830 -1.348 1.00 0.00 C ATOM 1589 CG LEU A 105 -1.373 -10.230 -1.295 1.00 0.00 C ATOM 1590 CD1 LEU A 105 -1.876 -10.209 0.129 1.00 0.00 C ATOM 1591 CD2 LEU A 105 -1.403 -8.828 -1.856 1.00 0.00 C ATOM 0 H LEU A 105 2.180 -12.199 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.155 -11.149 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.009 -11.802 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.698 -10.193 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.020 -10.858 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.878 -9.780 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.907 -11.226 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.207 -9.605 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.419 -8.436 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.736 -8.190 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.076 -8.845 -2.896 1.00 0.00 H new ATOM 1603 N GLU A 106 0.992 -9.106 -4.191 1.00 0.00 N ATOM 1604 CA GLU A 106 1.683 -7.931 -4.702 1.00 0.00 C ATOM 1605 C GLU A 106 1.493 -6.730 -3.792 1.00 0.00 C ATOM 1606 O GLU A 106 0.369 -6.285 -3.554 1.00 0.00 O ATOM 1607 CB GLU A 106 1.186 -7.560 -6.094 1.00 0.00 C ATOM 1608 CG GLU A 106 1.608 -8.515 -7.191 1.00 0.00 C ATOM 1609 CD GLU A 106 1.333 -7.937 -8.562 1.00 0.00 C ATOM 1610 OE1 GLU A 106 2.101 -7.047 -8.991 1.00 0.00 O ATOM 1611 OE2 GLU A 106 0.343 -8.346 -9.196 1.00 0.00 O1- ATOM 0 H GLU A 106 0.139 -9.347 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 106 2.741 -8.190 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 106 0.097 -7.508 -6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.548 -6.562 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.671 -8.736 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.075 -9.459 -7.079 1.00 0.00 H new ATOM 1618 N THR A 107 2.591 -6.197 -3.299 1.00 0.00 N ATOM 1619 CA THR A 107 2.549 -4.967 -2.542 1.00 0.00 C ATOM 1620 C THR A 107 3.131 -3.829 -3.381 1.00 0.00 C ATOM 1621 O THR A 107 4.334 -3.788 -3.638 1.00 0.00 O ATOM 1622 CB THR A 107 3.337 -5.101 -1.228 1.00 0.00 C ATOM 1623 OG1 THR A 107 3.195 -6.433 -0.713 1.00 0.00 O ATOM 1624 CG2 THR A 107 2.827 -4.110 -0.196 1.00 0.00 C ATOM 0 H THR A 107 3.523 -6.597 -3.410 1.00 0.00 H new ATOM 0 HA THR A 107 1.510 -4.748 -2.296 1.00 0.00 H new ATOM 0 HB THR A 107 4.387 -4.892 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 107 4.012 -6.688 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.397 -4.220 0.727 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.945 -3.095 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.773 -4.302 0.003 1.00 0.00 H new ATOM 1632 N HIS A 108 2.271 -2.927 -3.838 1.00 0.00 N ATOM 1633 CA HIS A 108 2.701 -1.821 -4.691 1.00 0.00 C ATOM 1634 C HIS A 108 2.749 -0.534 -3.885 1.00 0.00 C ATOM 1635 O HIS A 108 1.745 -0.098 -3.320 1.00 0.00 O ATOM 1636 CB HIS A 108 1.761 -1.651 -5.895 1.00 0.00 C ATOM 1637 CG HIS A 108 1.884 -2.731 -6.931 1.00 0.00 C ATOM 1638 ND1 HIS A 108 1.941 -2.472 -8.286 1.00 0.00 N ATOM 1639 CD2 HIS A 108 1.929 -4.079 -6.811 1.00 0.00 C ATOM 1640 CE1 HIS A 108 2.011 -3.612 -8.948 1.00 0.00 C ATOM 1641 NE2 HIS A 108 2.005 -4.599 -8.078 1.00 0.00 N ATOM 0 H HIS A 108 1.272 -2.938 -3.634 1.00 0.00 H new ATOM 0 HA HIS A 108 3.698 -2.050 -5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 108 0.732 -1.623 -5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 108 1.962 -0.688 -6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 108 1.909 -4.641 -5.889 1.00 0.00 H new ATOM 0 HE1 HIS A 108 2.064 -3.717 -10.022 1.00 0.00 H new ATOM 0 HE2 HIS A 108 2.050 -5.592 -8.309 1.00 0.00 H new ATOM 1650 N ILE A 109 3.911 0.078 -3.826 1.00 0.00 N ATOM 1651 CA ILE A 109 4.091 1.235 -2.973 1.00 0.00 C ATOM 1652 C ILE A 109 4.561 2.446 -3.747 1.00 0.00 C ATOM 1653 O ILE A 109 5.215 2.323 -4.783 1.00 0.00 O ATOM 1654 CB ILE A 109 5.100 0.938 -1.856 1.00 0.00 C ATOM 1655 CG1 ILE A 109 6.423 0.449 -2.461 1.00 0.00 C ATOM 1656 CG2 ILE A 109 4.526 -0.088 -0.898 1.00 0.00 C ATOM 1657 CD1 ILE A 109 7.490 0.125 -1.441 1.00 0.00 C ATOM 0 H ILE A 109 4.739 -0.201 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 109 3.115 1.456 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 109 5.299 1.852 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.228 -0.440 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.804 1.213 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.249 -0.293 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.607 0.299 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.309 -1.009 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.391 -0.213 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.717 1.016 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.132 -0.663 -0.778 1.00 0.00 H new ATOM 1669 N ARG A 110 4.219 3.616 -3.239 1.00 0.00 N ATOM 1670 CA ARG A 110 4.704 4.849 -3.809 1.00 0.00 C ATOM 1671 C ARG A 110 5.867 5.366 -2.980 1.00 0.00 C ATOM 1672 O ARG A 110 5.707 5.688 -1.802 1.00 0.00 O ATOM 1673 CB ARG A 110 3.598 5.906 -3.849 1.00 0.00 C ATOM 1674 CG ARG A 110 2.371 5.500 -4.649 1.00 0.00 C ATOM 1675 CD ARG A 110 2.747 5.021 -6.038 1.00 0.00 C ATOM 1676 NE ARG A 110 1.872 5.566 -7.074 1.00 0.00 N ATOM 1677 CZ ARG A 110 2.305 6.289 -8.105 1.00 0.00 C ATOM 1678 NH1 ARG A 110 3.599 6.566 -8.239 1.00 0.00 N1+ ATOM 1679 NH2 ARG A 110 1.440 6.722 -9.009 1.00 0.00 N ATOM 0 H ARG A 110 3.606 3.733 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 110 5.031 4.652 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.292 6.133 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.005 6.825 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.837 4.709 -4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.690 6.347 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.777 5.306 -6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.705 3.932 -6.067 1.00 0.00 H new ATOM 0 HE ARG A 110 0.871 5.382 -7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.268 6.224 -7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.922 7.120 -9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.449 6.501 -8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.765 7.276 -9.801 1.00 0.00 H new ATOM 1693 N VAL A 111 7.029 5.439 -3.594 1.00 0.00 N ATOM 1694 CA VAL A 111 8.187 6.039 -2.961 1.00 0.00 C ATOM 1695 C VAL A 111 8.415 7.404 -3.580 1.00 0.00 C ATOM 1696 O VAL A 111 7.870 7.684 -4.650 1.00 0.00 O ATOM 1697 CB VAL A 111 9.468 5.183 -3.138 1.00 0.00 C ATOM 1698 CG1 VAL A 111 9.296 3.794 -2.550 1.00 0.00 C ATOM 1699 CG2 VAL A 111 9.869 5.092 -4.602 1.00 0.00 C ATOM 0 H VAL A 111 7.198 5.088 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 111 7.989 6.112 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 111 10.268 5.683 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.213 3.223 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.080 3.874 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.471 3.287 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.770 4.486 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.062 4.632 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 111 10.063 6.092 -4.989 1.00 0.00 H new ATOM 1709 N PRO A 112 9.186 8.282 -2.928 1.00 0.00 N ATOM 1710 CA PRO A 112 9.619 9.526 -3.554 1.00 0.00 C ATOM 1711 C PRO A 112 10.255 9.231 -4.904 1.00 0.00 C ATOM 1712 O PRO A 112 10.984 8.251 -5.059 1.00 0.00 O ATOM 1713 CB PRO A 112 10.658 10.077 -2.584 1.00 0.00 C ATOM 1714 CG PRO A 112 10.303 9.484 -1.262 1.00 0.00 C ATOM 1715 CD PRO A 112 9.685 8.142 -1.550 1.00 0.00 C ATOM 0 HA PRO A 112 8.802 10.224 -3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.667 9.796 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.628 11.166 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.188 9.377 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.605 10.125 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.416 7.338 -1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.879 7.913 -0.853 1.00 0.00 H new ATOM 1723 N ALA A 113 9.952 10.080 -5.872 1.00 0.00 N ATOM 1724 CA ALA A 113 10.306 9.845 -7.263 1.00 0.00 C ATOM 1725 C ALA A 113 11.803 9.599 -7.452 1.00 0.00 C ATOM 1726 O ALA A 113 12.206 8.876 -8.362 1.00 0.00 O ATOM 1727 CB ALA A 113 9.848 11.023 -8.110 1.00 0.00 C ATOM 0 H ALA A 113 9.452 10.955 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 113 9.797 8.937 -7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.113 10.847 -9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.767 11.134 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.335 11.933 -7.761 1.00 0.00 H new ATOM 1733 N SER A 114 12.616 10.205 -6.597 1.00 0.00 N ATOM 1734 CA SER A 114 14.064 10.055 -6.669 1.00 0.00 C ATOM 1735 C SER A 114 14.555 8.915 -5.768 1.00 0.00 C ATOM 1736 O SER A 114 15.678 8.432 -5.919 1.00 0.00 O ATOM 1737 CB SER A 114 14.730 11.367 -6.258 1.00 0.00 C ATOM 1738 OG SER A 114 14.059 12.478 -6.840 1.00 0.00 O ATOM 0 H SER A 114 12.295 10.809 -5.841 1.00 0.00 H new ATOM 0 HA SER A 114 14.333 9.807 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 114 14.722 11.460 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 114 15.774 11.363 -6.570 1.00 0.00 H new ATOM 0 HG SER A 114 14.500 13.308 -6.563 1.00 0.00 H new ATOM 1744 N ALA A 115 13.697 8.473 -4.850 1.00 0.00 N ATOM 1745 CA ALA A 115 14.088 7.506 -3.823 1.00 0.00 C ATOM 1746 C ALA A 115 14.301 6.115 -4.404 1.00 0.00 C ATOM 1747 O ALA A 115 15.049 5.311 -3.842 1.00 0.00 O ATOM 1748 CB ALA A 115 13.046 7.450 -2.718 1.00 0.00 C ATOM 0 H ALA A 115 12.723 8.770 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 115 15.037 7.844 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 115 13.354 6.726 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 115 12.950 8.434 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 115 12.086 7.150 -3.138 1.00 0.00 H new ATOM 1754 N ALA A 116 13.655 5.839 -5.531 1.00 0.00 N ATOM 1755 CA ALA A 116 13.771 4.538 -6.182 1.00 0.00 C ATOM 1756 C ALA A 116 15.233 4.227 -6.519 1.00 0.00 C ATOM 1757 O ALA A 116 15.646 3.071 -6.548 1.00 0.00 O ATOM 1758 CB ALA A 116 12.911 4.488 -7.438 1.00 0.00 C ATOM 0 H ALA A 116 13.045 6.499 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 116 13.412 3.778 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.011 3.510 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.868 4.657 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 116 13.238 5.261 -8.134 1.00 0.00 H new ATOM 1764 N GLY A 117 16.016 5.275 -6.750 1.00 0.00 N ATOM 1765 CA GLY A 117 17.416 5.101 -7.096 1.00 0.00 C ATOM 1766 C GLY A 117 18.242 4.527 -5.958 1.00 0.00 C ATOM 1767 O GLY A 117 19.250 3.859 -6.189 1.00 0.00 O ATOM 0 H GLY A 117 15.705 6.245 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 117 17.492 4.442 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 117 17.834 6.063 -7.391 1.00 0.00 H new ATOM 1771 N ARG A 118 17.822 4.778 -4.722 1.00 0.00 N ATOM 1772 CA ARG A 118 18.572 4.306 -3.564 1.00 0.00 C ATOM 1773 C ARG A 118 18.079 2.944 -3.098 1.00 0.00 C ATOM 1774 O ARG A 118 18.819 2.208 -2.451 1.00 0.00 O ATOM 1775 CB ARG A 118 18.528 5.313 -2.412 1.00 0.00 C ATOM 1776 CG ARG A 118 19.239 6.619 -2.728 1.00 0.00 C ATOM 1777 CD ARG A 118 19.509 7.433 -1.474 1.00 0.00 C ATOM 1778 NE ARG A 118 20.455 6.768 -0.577 1.00 0.00 N ATOM 1779 CZ ARG A 118 20.848 7.268 0.598 1.00 0.00 C ATOM 1780 NH1 ARG A 118 20.410 8.459 0.995 1.00 0.00 N1+ ATOM 1781 NH2 ARG A 118 21.696 6.593 1.365 1.00 0.00 N ATOM 0 H ARG A 118 16.975 5.300 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 118 19.610 4.203 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 118 17.488 5.524 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 118 18.983 4.864 -1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 118 20.181 6.407 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 118 18.632 7.205 -3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 118 19.902 8.410 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 118 18.571 7.607 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 118 20.838 5.868 -0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 118 19.773 8.992 0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 118 20.711 8.840 1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 118 22.051 5.687 1.058 1.00 0.00 H new ATOM 0 HH22 ARG A 118 21.992 6.980 2.261 1.00 0.00 H new ATOM 1795 N VAL A 119 16.838 2.595 -3.431 1.00 0.00 N ATOM 1796 CA VAL A 119 16.339 1.258 -3.122 1.00 0.00 C ATOM 1797 C VAL A 119 16.990 0.252 -4.070 1.00 0.00 C ATOM 1798 O VAL A 119 17.173 -0.917 -3.732 1.00 0.00 O ATOM 1799 CB VAL A 119 14.792 1.165 -3.194 1.00 0.00 C ATOM 1800 CG1 VAL A 119 14.282 1.220 -4.625 1.00 0.00 C ATOM 1801 CG2 VAL A 119 14.300 -0.094 -2.496 1.00 0.00 C ATOM 0 H VAL A 119 16.172 3.205 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 119 16.608 1.027 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 119 14.390 2.035 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.194 1.152 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 119 14.587 2.160 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 119 14.699 0.388 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.213 -0.142 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 119 14.730 -0.970 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.604 -0.073 -1.450 1.00 0.00 H new ATOM 1811 N ILE A 120 17.353 0.731 -5.258 1.00 0.00 N ATOM 1812 CA ILE A 120 18.141 -0.057 -6.193 1.00 0.00 C ATOM 1813 C ILE A 120 19.602 -0.036 -5.764 1.00 0.00 C ATOM 1814 O ILE A 120 20.308 -1.043 -5.822 1.00 0.00 O ATOM 1815 CB ILE A 120 18.024 0.475 -7.639 1.00 0.00 C ATOM 1816 CG1 ILE A 120 16.562 0.475 -8.089 1.00 0.00 C ATOM 1817 CG2 ILE A 120 18.873 -0.359 -8.590 1.00 0.00 C ATOM 1818 CD1 ILE A 120 16.354 1.041 -9.479 1.00 0.00 C ATOM 0 H ILE A 120 17.112 1.664 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 120 17.754 -1.076 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 120 18.395 1.500 -7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.182 -0.546 -8.061 1.00 0.00 H new ATOM 0 HG13 ILE A 120 15.972 1.054 -7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 120 18.776 0.033 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 120 19.917 -0.313 -8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 120 18.534 -1.395 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.294 1.009 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 120 16.702 2.073 -9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 120 16.916 0.448 -10.201 1.00 0.00 H new ATOM 1830 N GLY A 121 20.039 1.127 -5.309 1.00 0.00 N ATOM 1831 CA GLY A 121 21.377 1.260 -4.788 1.00 0.00 C ATOM 1832 C GLY A 121 22.344 1.787 -5.820 1.00 0.00 C ATOM 1833 O GLY A 121 23.485 1.332 -5.885 1.00 0.00 O ATOM 0 H GLY A 121 19.486 1.984 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 121 21.365 1.931 -3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 121 21.723 0.290 -4.431 1.00 0.00 H new ATOM 1837 N ASP A 122 21.876 2.735 -6.634 1.00 0.00 N ATOM 1838 CA ASP A 122 22.691 3.362 -7.680 1.00 0.00 C ATOM 1839 C ASP A 122 23.056 2.361 -8.773 1.00 0.00 C ATOM 1840 O ASP A 122 22.432 2.336 -9.832 1.00 0.00 O ATOM 1841 CB ASP A 122 23.961 4.002 -7.098 1.00 0.00 C ATOM 1842 CG ASP A 122 23.662 5.185 -6.198 1.00 0.00 C ATOM 1843 OD1 ASP A 122 23.596 6.328 -6.706 1.00 0.00 O ATOM 1844 OD2 ASP A 122 23.486 4.981 -4.982 1.00 0.00 O1- ATOM 0 H ASP A 122 20.921 3.091 -6.588 1.00 0.00 H new ATOM 0 HA ASP A 122 22.087 4.152 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 122 24.514 3.252 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 122 24.606 4.326 -7.915 1.00 0.00 H new ATOM 1849 N ASP A 123 24.051 1.526 -8.509 1.00 0.00 N ATOM 1850 CA ASP A 123 24.492 0.535 -9.484 1.00 0.00 C ATOM 1851 C ASP A 123 23.618 -0.712 -9.401 1.00 0.00 C ATOM 1852 O ASP A 123 23.488 -1.461 -10.368 1.00 0.00 O ATOM 1853 CB ASP A 123 25.964 0.161 -9.257 1.00 0.00 C ATOM 1854 CG ASP A 123 26.156 -0.854 -8.146 1.00 0.00 C ATOM 1855 OD1 ASP A 123 25.972 -0.494 -6.965 1.00 0.00 O ATOM 1856 OD2 ASP A 123 26.500 -2.018 -8.451 1.00 0.00 O1- ATOM 0 H ASP A 123 24.568 1.514 -7.630 1.00 0.00 H new ATOM 0 HA ASP A 123 24.397 0.971 -10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 123 26.378 -0.240 -10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 123 26.529 1.062 -9.019 1.00 0.00 H new ATOM 1861 N GLY A 124 23.009 -0.925 -8.242 1.00 0.00 N ATOM 1862 CA GLY A 124 22.160 -2.087 -8.059 1.00 0.00 C ATOM 1863 C GLY A 124 22.624 -2.969 -6.919 1.00 0.00 C ATOM 1864 O GLY A 124 21.997 -3.986 -6.618 1.00 0.00 O ATOM 0 H GLY A 124 23.087 -0.316 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 124 21.138 -1.760 -7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 124 22.142 -2.669 -8.981 1.00 0.00 H new ATOM 1868 N LYS A 125 23.725 -2.580 -6.282 1.00 0.00 N ATOM 1869 CA LYS A 125 24.277 -3.341 -5.167 1.00 0.00 C ATOM 1870 C LYS A 125 23.245 -3.486 -4.052 1.00 0.00 C ATOM 1871 O LYS A 125 23.042 -4.574 -3.510 1.00 0.00 O ATOM 1872 CB LYS A 125 25.527 -2.650 -4.620 1.00 0.00 C ATOM 1873 CG LYS A 125 26.411 -3.569 -3.795 1.00 0.00 C ATOM 1874 CD LYS A 125 27.039 -4.636 -4.671 1.00 0.00 C ATOM 1875 CE LYS A 125 27.800 -5.669 -3.859 1.00 0.00 C ATOM 1876 NZ LYS A 125 28.474 -6.657 -4.742 1.00 0.00 N1+ ATOM 0 H LYS A 125 24.253 -1.740 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 125 24.545 -4.332 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 125 26.107 -2.251 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 125 25.225 -1.801 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 125 27.192 -2.987 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 125 25.822 -4.038 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 125 26.261 -5.133 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 125 27.716 -4.166 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 125 28.541 -5.170 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 125 27.114 -6.186 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 28.986 -7.350 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 27.762 -7.148 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 29.146 -6.165 -5.365 1.00 0.00 H new ATOM 1890 N THR A 126 22.582 -2.381 -3.743 1.00 0.00 N ATOM 1891 CA THR A 126 21.619 -2.329 -2.654 1.00 0.00 C ATOM 1892 C THR A 126 20.400 -3.216 -2.914 1.00 0.00 C ATOM 1893 O THR A 126 20.002 -3.980 -2.043 1.00 0.00 O ATOM 1894 CB THR A 126 21.173 -0.877 -2.407 1.00 0.00 C ATOM 1895 OG1 THR A 126 22.324 -0.068 -2.127 1.00 0.00 O ATOM 1896 CG2 THR A 126 20.192 -0.776 -1.250 1.00 0.00 C ATOM 0 H THR A 126 22.696 -1.497 -4.239 1.00 0.00 H new ATOM 0 HA THR A 126 22.117 -2.714 -1.764 1.00 0.00 H new ATOM 0 HB THR A 126 20.668 -0.523 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 126 22.043 0.858 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 126 19.902 0.265 -1.109 1.00 0.00 H new ATOM 0 HG22 THR A 126 19.307 -1.373 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 126 20.663 -1.148 -0.340 1.00 0.00 H new ATOM 1904 N VAL A 127 19.821 -3.137 -4.112 1.00 0.00 N ATOM 1905 CA VAL A 127 18.605 -3.897 -4.415 1.00 0.00 C ATOM 1906 C VAL A 127 18.887 -5.400 -4.455 1.00 0.00 C ATOM 1907 O VAL A 127 18.061 -6.207 -4.020 1.00 0.00 O ATOM 1908 CB VAL A 127 17.942 -3.447 -5.744 1.00 0.00 C ATOM 1909 CG1 VAL A 127 18.815 -3.771 -6.949 1.00 0.00 C ATOM 1910 CG2 VAL A 127 16.561 -4.071 -5.897 1.00 0.00 C ATOM 0 H VAL A 127 20.167 -2.563 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 127 17.903 -3.689 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 127 17.831 -2.364 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 127 18.316 -3.440 -7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 127 19.772 -3.258 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 127 18.983 -4.847 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 127 16.115 -3.742 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 127 16.651 -5.157 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 127 15.928 -3.761 -5.066 1.00 0.00 H new ATOM 1920 N ASN A 128 20.064 -5.775 -4.946 1.00 0.00 N ATOM 1921 CA ASN A 128 20.450 -7.180 -5.008 1.00 0.00 C ATOM 1922 C ASN A 128 20.587 -7.745 -3.600 1.00 0.00 C ATOM 1923 O ASN A 128 20.113 -8.843 -3.304 1.00 0.00 O ATOM 1924 CB ASN A 128 21.761 -7.345 -5.784 1.00 0.00 C ATOM 1925 CG ASN A 128 22.218 -8.790 -5.847 1.00 0.00 C ATOM 1926 OD1 ASN A 128 21.803 -9.550 -6.723 1.00 0.00 O ATOM 1927 ND2 ASN A 128 23.086 -9.176 -4.928 1.00 0.00 N ATOM 0 H ASN A 128 20.765 -5.127 -5.306 1.00 0.00 H new ATOM 0 HA ASN A 128 19.672 -7.734 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.631 -6.963 -6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 128 22.537 -6.742 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 128 23.436 -10.134 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 128 23.405 -8.516 -4.219 1.00 0.00 H new ATOM 1934 N GLU A 129 21.217 -6.969 -2.731 1.00 0.00 N ATOM 1935 CA GLU A 129 21.372 -7.341 -1.335 1.00 0.00 C ATOM 1936 C GLU A 129 20.015 -7.314 -0.630 1.00 0.00 C ATOM 1937 O GLU A 129 19.729 -8.147 0.233 1.00 0.00 O ATOM 1938 CB GLU A 129 22.350 -6.376 -0.664 1.00 0.00 C ATOM 1939 CG GLU A 129 22.640 -6.688 0.793 1.00 0.00 C ATOM 1940 CD GLU A 129 23.677 -5.755 1.380 1.00 0.00 C ATOM 1941 OE1 GLU A 129 23.322 -4.611 1.738 1.00 0.00 O1- ATOM 1942 OE2 GLU A 129 24.857 -6.148 1.465 1.00 0.00 O ATOM 0 H GLU A 129 21.632 -6.069 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 129 21.769 -8.354 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 129 23.288 -6.385 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 129 21.949 -5.365 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 129 21.718 -6.613 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 129 22.988 -7.717 0.880 1.00 0.00 H new ATOM 1949 N LEU A 130 19.182 -6.363 -1.029 1.00 0.00 N ATOM 1950 CA LEU A 130 17.853 -6.191 -0.461 1.00 0.00 C ATOM 1951 C LEU A 130 17.003 -7.437 -0.684 1.00 0.00 C ATOM 1952 O LEU A 130 16.402 -7.957 0.252 1.00 0.00 O ATOM 1953 CB LEU A 130 17.173 -4.975 -1.095 1.00 0.00 C ATOM 1954 CG LEU A 130 15.823 -4.588 -0.502 1.00 0.00 C ATOM 1955 CD1 LEU A 130 15.992 -4.104 0.926 1.00 0.00 C ATOM 1956 CD2 LEU A 130 15.159 -3.522 -1.358 1.00 0.00 C ATOM 0 H LEU A 130 19.410 -5.687 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 130 17.953 -6.032 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.845 -4.121 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.039 -5.170 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 130 15.180 -5.468 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 130 15.019 -3.831 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 130 16.430 -4.899 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 130 16.648 -3.234 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.196 -3.254 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 130 15.797 -2.639 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.008 -3.907 -2.366 1.00 0.00 H new ATOM 1968 N GLN A 131 16.969 -7.921 -1.920 1.00 0.00 N ATOM 1969 CA GLN A 131 16.191 -9.113 -2.247 1.00 0.00 C ATOM 1970 C GLN A 131 16.768 -10.348 -1.569 1.00 0.00 C ATOM 1971 O GLN A 131 16.035 -11.260 -1.195 1.00 0.00 O ATOM 1972 CB GLN A 131 16.120 -9.317 -3.757 1.00 0.00 C ATOM 1973 CG GLN A 131 15.298 -8.256 -4.464 1.00 0.00 C ATOM 1974 CD GLN A 131 14.943 -8.642 -5.881 1.00 0.00 C ATOM 1975 OE1 GLN A 131 13.856 -9.380 -6.020 1.00 0.00 O flip ATOM 1976 NE2 GLN A 131 15.649 -8.307 -6.832 1.00 0.00 N flip ATOM 0 H GLN A 131 17.468 -7.510 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 131 15.179 -8.962 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 131 17.131 -9.317 -4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 131 15.692 -10.298 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.382 -8.076 -3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 131 15.854 -7.319 -4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 131 16.479 -7.736 -6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 131 15.404 -8.600 -7.778 1.00 0.00 H new ATOM 1985 N ASN A 132 18.082 -10.364 -1.400 1.00 0.00 N ATOM 1986 CA ASN A 132 18.747 -11.444 -0.678 1.00 0.00 C ATOM 1987 C ASN A 132 18.307 -11.467 0.784 1.00 0.00 C ATOM 1988 O ASN A 132 18.027 -12.526 1.345 1.00 0.00 O ATOM 1989 CB ASN A 132 20.269 -11.286 -0.767 1.00 0.00 C ATOM 1990 CG ASN A 132 21.009 -12.132 0.255 1.00 0.00 C ATOM 1991 OD1 ASN A 132 21.305 -13.304 0.017 1.00 0.00 O ATOM 1992 ND2 ASN A 132 21.325 -11.538 1.395 1.00 0.00 N ATOM 0 H ASN A 132 18.711 -9.642 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 132 18.463 -12.389 -1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 132 20.600 -11.561 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 132 20.530 -10.238 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 132 21.832 -12.053 2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 132 21.062 -10.565 1.553 1.00 0.00 H new ATOM 1999 N LEU A 133 18.241 -10.289 1.390 1.00 0.00 N ATOM 2000 CA LEU A 133 17.883 -10.164 2.799 1.00 0.00 C ATOM 2001 C LEU A 133 16.388 -10.408 3.003 1.00 0.00 C ATOM 2002 O LEU A 133 15.986 -11.178 3.876 1.00 0.00 O ATOM 2003 CB LEU A 133 18.279 -8.765 3.303 1.00 0.00 C ATOM 2004 CG LEU A 133 18.294 -8.558 4.826 1.00 0.00 C ATOM 2005 CD1 LEU A 133 19.102 -7.318 5.167 1.00 0.00 C ATOM 2006 CD2 LEU A 133 16.885 -8.417 5.382 1.00 0.00 C ATOM 0 H LEU A 133 18.432 -9.401 0.926 1.00 0.00 H new ATOM 0 HA LEU A 133 18.423 -10.918 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 133 19.272 -8.533 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 133 17.592 -8.040 2.868 1.00 0.00 H new ATOM 0 HG LEU A 133 18.752 -9.436 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 133 19.110 -7.175 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 133 20.124 -7.440 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 133 18.652 -6.448 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 133 16.933 -8.272 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 133 16.396 -7.558 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 133 16.315 -9.320 5.162 1.00 0.00 H new ATOM 2018 N THR A 134 15.574 -9.759 2.185 1.00 0.00 N ATOM 2019 CA THR A 134 14.131 -9.777 2.360 1.00 0.00 C ATOM 2020 C THR A 134 13.502 -11.081 1.868 1.00 0.00 C ATOM 2021 O THR A 134 12.482 -11.526 2.401 1.00 0.00 O ATOM 2022 CB THR A 134 13.481 -8.590 1.631 1.00 0.00 C ATOM 2023 OG1 THR A 134 13.818 -8.628 0.237 1.00 0.00 O ATOM 2024 CG2 THR A 134 13.949 -7.273 2.232 1.00 0.00 C ATOM 0 H THR A 134 15.892 -9.209 1.387 1.00 0.00 H new ATOM 0 HA THR A 134 13.946 -9.697 3.431 1.00 0.00 H new ATOM 0 HB THR A 134 12.400 -8.665 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.631 -8.103 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.478 -6.444 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 134 13.672 -7.235 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.032 -7.195 2.138 1.00 0.00 H new ATOM 2032 N ALA A 135 14.138 -11.688 0.859 1.00 0.00 N ATOM 2033 CA ALA A 135 13.625 -12.889 0.197 1.00 0.00 C ATOM 2034 C ALA A 135 12.318 -12.585 -0.529 1.00 0.00 C ATOM 2035 O ALA A 135 11.462 -13.455 -0.702 1.00 0.00 O ATOM 2036 CB ALA A 135 13.452 -14.038 1.182 1.00 0.00 C ATOM 0 H ALA A 135 15.025 -11.358 0.479 1.00 0.00 H new ATOM 0 HA ALA A 135 14.361 -13.204 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 135 13.070 -14.913 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 135 14.414 -14.278 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.748 -13.746 1.961 1.00 0.00 H new ATOM 2042 N ALA A 136 12.181 -11.333 -0.943 1.00 0.00 N ATOM 2043 CA ALA A 136 11.020 -10.881 -1.689 1.00 0.00 C ATOM 2044 C ALA A 136 11.442 -10.322 -3.044 1.00 0.00 C ATOM 2045 O ALA A 136 12.629 -10.113 -3.304 1.00 0.00 O ATOM 2046 CB ALA A 136 10.268 -9.828 -0.891 1.00 0.00 C ATOM 0 H ALA A 136 12.873 -10.604 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 136 10.359 -11.731 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.399 -9.494 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 136 9.941 -10.255 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 136 10.924 -8.979 -0.700 1.00 0.00 H new ATOM 2052 N GLU A 137 10.465 -10.081 -3.900 1.00 0.00 N ATOM 2053 CA GLU A 137 10.719 -9.569 -5.237 1.00 0.00 C ATOM 2054 C GLU A 137 10.557 -8.062 -5.250 1.00 0.00 C ATOM 2055 O GLU A 137 9.453 -7.554 -5.079 1.00 0.00 O ATOM 2056 CB GLU A 137 9.760 -10.214 -6.243 1.00 0.00 C ATOM 2057 CG GLU A 137 10.132 -9.973 -7.699 1.00 0.00 C ATOM 2058 CD GLU A 137 11.396 -10.703 -8.103 1.00 0.00 C ATOM 2059 OE1 GLU A 137 11.336 -11.937 -8.292 1.00 0.00 O1- ATOM 2060 OE2 GLU A 137 12.455 -10.054 -8.221 1.00 0.00 O ATOM 0 H GLU A 137 9.478 -10.233 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 137 11.741 -9.818 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.728 -11.288 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 137 8.755 -9.830 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 137 9.310 -10.295 -8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 137 10.265 -8.904 -7.865 1.00 0.00 H new ATOM 2067 N VAL A 138 11.667 -7.366 -5.439 1.00 0.00 N ATOM 2068 CA VAL A 138 11.681 -5.913 -5.468 1.00 0.00 C ATOM 2069 C VAL A 138 12.048 -5.439 -6.867 1.00 0.00 C ATOM 2070 O VAL A 138 13.198 -5.571 -7.288 1.00 0.00 O ATOM 2071 CB VAL A 138 12.703 -5.344 -4.455 1.00 0.00 C ATOM 2072 CG1 VAL A 138 12.651 -3.824 -4.423 1.00 0.00 C ATOM 2073 CG2 VAL A 138 12.470 -5.918 -3.064 1.00 0.00 C ATOM 0 H VAL A 138 12.583 -7.793 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 138 10.688 -5.556 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 138 13.698 -5.643 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 138 13.379 -3.450 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 138 12.884 -3.431 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 138 11.652 -3.500 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 138 13.202 -5.502 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 138 11.465 -5.661 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 138 12.576 -7.002 -3.095 1.00 0.00 H new ATOM 2083 N VAL A 139 11.078 -4.913 -7.598 1.00 0.00 N ATOM 2084 CA VAL A 139 11.344 -4.449 -8.954 1.00 0.00 C ATOM 2085 C VAL A 139 10.909 -2.997 -9.148 1.00 0.00 C ATOM 2086 O VAL A 139 9.770 -2.623 -8.845 1.00 0.00 O ATOM 2087 CB VAL A 139 10.680 -5.357 -10.023 1.00 0.00 C ATOM 2088 CG1 VAL A 139 9.162 -5.340 -9.914 1.00 0.00 C ATOM 2089 CG2 VAL A 139 11.119 -4.953 -11.424 1.00 0.00 C ATOM 0 H VAL A 139 10.114 -4.797 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 139 12.424 -4.505 -9.092 1.00 0.00 H new ATOM 0 HB VAL A 139 11.013 -6.378 -9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 139 8.735 -5.988 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 139 8.864 -5.698 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 139 8.798 -4.322 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 139 10.641 -5.603 -12.157 1.00 0.00 H new ATOM 0 HG22 VAL A 139 10.829 -3.919 -11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 139 12.202 -5.047 -11.507 1.00 0.00 H new ATOM 2099 N VAL A 140 11.835 -2.182 -9.631 1.00 0.00 N ATOM 2100 CA VAL A 140 11.551 -0.790 -9.947 1.00 0.00 C ATOM 2101 C VAL A 140 11.448 -0.611 -11.459 1.00 0.00 C ATOM 2102 O VAL A 140 12.434 -0.783 -12.180 1.00 0.00 O ATOM 2103 CB VAL A 140 12.647 0.154 -9.410 1.00 0.00 C ATOM 2104 CG1 VAL A 140 12.303 1.606 -9.719 1.00 0.00 C ATOM 2105 CG2 VAL A 140 12.844 -0.042 -7.916 1.00 0.00 C ATOM 0 H VAL A 140 12.798 -2.464 -9.814 1.00 0.00 H new ATOM 0 HA VAL A 140 10.606 -0.534 -9.467 1.00 0.00 H new ATOM 0 HB VAL A 140 13.583 -0.092 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 140 13.088 2.256 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 140 12.221 1.739 -10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 140 11.354 1.863 -9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 140 13.621 0.634 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 140 11.911 0.171 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 140 13.141 -1.072 -7.720 1.00 0.00 H new ATOM 2115 N PRO A 141 10.248 -0.295 -11.962 1.00 0.00 N ATOM 2116 CA PRO A 141 10.019 -0.038 -13.391 1.00 0.00 C ATOM 2117 C PRO A 141 10.814 1.162 -13.899 1.00 0.00 C ATOM 2118 O PRO A 141 11.199 2.048 -13.131 1.00 0.00 O ATOM 2119 CB PRO A 141 8.519 0.259 -13.467 1.00 0.00 C ATOM 2120 CG PRO A 141 7.945 -0.325 -12.225 1.00 0.00 C ATOM 2121 CD PRO A 141 9.010 -0.174 -11.181 1.00 0.00 C ATOM 0 HA PRO A 141 10.336 -0.879 -14.007 1.00 0.00 H new ATOM 0 HB2 PRO A 141 8.332 1.331 -13.522 1.00 0.00 H new ATOM 0 HB3 PRO A 141 8.073 -0.188 -14.356 1.00 0.00 H new ATOM 0 HG2 PRO A 141 7.033 0.195 -11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 141 7.683 -1.373 -12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 141 8.945 0.788 -10.672 1.00 0.00 H new ATOM 0 HD3 PRO A 141 8.938 -0.946 -10.415 1.00 0.00 H new ATOM 2129 N ARG A 142 11.051 1.187 -15.204 1.00 0.00 N ATOM 2130 CA ARG A 142 11.815 2.257 -15.828 1.00 0.00 C ATOM 2131 C ARG A 142 10.892 3.411 -16.199 1.00 0.00 C ATOM 2132 O ARG A 142 11.315 4.565 -16.292 1.00 0.00 O ATOM 2133 CB ARG A 142 12.531 1.742 -17.078 1.00 0.00 C ATOM 2134 CG ARG A 142 13.458 0.557 -16.831 1.00 0.00 C ATOM 2135 CD ARG A 142 14.593 0.903 -15.878 1.00 0.00 C ATOM 2136 NE ARG A 142 14.376 0.365 -14.533 1.00 0.00 N ATOM 2137 CZ ARG A 142 15.356 0.183 -13.646 1.00 0.00 C ATOM 2138 NH1 ARG A 142 16.597 0.558 -13.929 1.00 0.00 N1+ ATOM 2139 NH2 ARG A 142 15.092 -0.357 -12.465 1.00 0.00 N ATOM 0 H ARG A 142 10.722 0.473 -15.854 1.00 0.00 H new ATOM 0 HA ARG A 142 12.561 2.611 -15.117 1.00 0.00 H new ATOM 0 HB2 ARG A 142 11.783 1.455 -17.817 1.00 0.00 H new ATOM 0 HB3 ARG A 142 13.111 2.557 -17.511 1.00 0.00 H new ATOM 0 HG2 ARG A 142 12.882 -0.273 -16.421 1.00 0.00 H new ATOM 0 HG3 ARG A 142 13.873 0.219 -17.780 1.00 0.00 H new ATOM 0 HD2 ARG A 142 15.530 0.513 -16.276 1.00 0.00 H new ATOM 0 HD3 ARG A 142 14.698 1.986 -15.820 1.00 0.00 H new ATOM 0 HE ARG A 142 13.425 0.116 -14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 142 16.807 0.989 -14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 142 17.341 0.416 -13.246 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.138 -0.634 -12.233 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.843 -0.495 -11.788 1.00 0.00 H new ATOM 2153 N ASP A 143 9.628 3.082 -16.415 1.00 0.00 N ATOM 2154 CA ASP A 143 8.621 4.078 -16.747 1.00 0.00 C ATOM 2155 C ASP A 143 7.518 4.073 -15.705 1.00 0.00 C ATOM 2156 O ASP A 143 6.816 3.075 -15.540 1.00 0.00 O ATOM 2157 CB ASP A 143 8.026 3.813 -18.132 1.00 0.00 C ATOM 2158 CG ASP A 143 8.986 4.127 -19.259 1.00 0.00 C ATOM 2159 OD1 ASP A 143 9.161 5.323 -19.575 1.00 0.00 O1- ATOM 2160 OD2 ASP A 143 9.559 3.180 -19.843 1.00 0.00 O ATOM 0 H ASP A 143 9.273 2.127 -16.366 1.00 0.00 H new ATOM 0 HA ASP A 143 9.102 5.056 -16.758 1.00 0.00 H new ATOM 0 HB2 ASP A 143 7.726 2.767 -18.198 1.00 0.00 H new ATOM 0 HB3 ASP A 143 7.123 4.412 -18.254 1.00 0.00 H new ATOM 2165 N GLN A 144 7.378 5.179 -14.989 1.00 0.00 N ATOM 2166 CA GLN A 144 6.356 5.287 -13.958 1.00 0.00 C ATOM 2167 C GLN A 144 5.498 6.531 -14.133 1.00 0.00 C ATOM 2168 O GLN A 144 4.446 6.492 -14.775 1.00 0.00 O ATOM 2169 CB GLN A 144 6.992 5.278 -12.567 1.00 0.00 C ATOM 2170 CG GLN A 144 7.446 3.905 -12.118 1.00 0.00 C ATOM 2171 CD GLN A 144 6.283 2.946 -11.973 1.00 0.00 C ATOM 2172 OE1 GLN A 144 5.699 2.836 -10.905 1.00 0.00 O ATOM 2173 NE2 GLN A 144 5.922 2.265 -13.049 1.00 0.00 N ATOM 0 H GLN A 144 7.957 6.011 -15.102 1.00 0.00 H new ATOM 0 HA GLN A 144 5.704 4.419 -14.059 1.00 0.00 H new ATOM 0 HB2 GLN A 144 7.847 5.954 -12.563 1.00 0.00 H new ATOM 0 HB3 GLN A 144 6.274 5.668 -11.846 1.00 0.00 H new ATOM 0 HG2 GLN A 144 8.159 3.505 -12.839 1.00 0.00 H new ATOM 0 HG3 GLN A 144 7.969 3.989 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 144 6.434 2.383 -13.923 1.00 0.00 H new ATOM 0 HE22 GLN A 144 5.132 1.622 -13.004 1.00 0.00 H new ATOM 2182 N THR A 145 5.963 7.629 -13.569 1.00 0.00 N ATOM 2183 CA THR A 145 5.219 8.876 -13.554 1.00 0.00 C ATOM 2184 C THR A 145 6.173 10.059 -13.478 1.00 0.00 C ATOM 2185 O THR A 145 7.306 9.918 -13.007 1.00 0.00 O ATOM 2186 CB THR A 145 4.243 8.924 -12.351 1.00 0.00 C ATOM 2187 OG1 THR A 145 4.771 8.165 -11.251 1.00 0.00 O ATOM 2188 CG2 THR A 145 2.870 8.386 -12.734 1.00 0.00 C ATOM 0 H THR A 145 6.870 7.683 -13.106 1.00 0.00 H new ATOM 0 HA THR A 145 4.642 8.933 -14.477 1.00 0.00 H new ATOM 0 HB THR A 145 4.133 9.966 -12.052 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.057 8.775 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 145 2.207 8.432 -11.870 1.00 0.00 H new ATOM 0 HG22 THR A 145 2.455 8.989 -13.542 1.00 0.00 H new ATOM 0 HG23 THR A 145 2.964 7.352 -13.064 1.00 0.00 H new ATOM 2196 N PRO A 146 5.743 11.233 -13.964 1.00 0.00 N ATOM 2197 CA PRO A 146 6.531 12.465 -13.872 1.00 0.00 C ATOM 2198 C PRO A 146 6.677 12.920 -12.422 1.00 0.00 C ATOM 2199 O PRO A 146 5.943 12.466 -11.538 1.00 0.00 O ATOM 2200 CB PRO A 146 5.703 13.479 -14.670 1.00 0.00 C ATOM 2201 CG PRO A 146 4.314 12.947 -14.630 1.00 0.00 C ATOM 2202 CD PRO A 146 4.454 11.455 -14.644 1.00 0.00 C ATOM 0 HA PRO A 146 7.546 12.342 -14.251 1.00 0.00 H new ATOM 0 HB2 PRO A 146 5.759 14.473 -14.226 1.00 0.00 H new ATOM 0 HB3 PRO A 146 6.064 13.566 -15.695 1.00 0.00 H new ATOM 0 HG2 PRO A 146 3.791 13.283 -13.735 1.00 0.00 H new ATOM 0 HG3 PRO A 146 3.736 13.295 -15.486 1.00 0.00 H new ATOM 0 HD2 PRO A 146 3.632 10.968 -14.119 1.00 0.00 H new ATOM 0 HD3 PRO A 146 4.461 11.060 -15.660 1.00 0.00 H new ATOM 2210 N ASP A 147 7.613 13.837 -12.191 1.00 0.00 N ATOM 2211 CA ASP A 147 7.907 14.327 -10.846 1.00 0.00 C ATOM 2212 C ASP A 147 6.764 15.183 -10.316 1.00 0.00 C ATOM 2213 O ASP A 147 6.798 15.636 -9.175 1.00 0.00 O ATOM 2214 CB ASP A 147 9.217 15.122 -10.820 1.00 0.00 C ATOM 2215 CG ASP A 147 10.428 14.259 -11.118 1.00 0.00 C ATOM 2216 OD1 ASP A 147 10.967 13.624 -10.186 1.00 0.00 O ATOM 2217 OD2 ASP A 147 10.853 14.210 -12.290 1.00 0.00 O1- ATOM 0 H ASP A 147 8.185 14.258 -12.923 1.00 0.00 H new ATOM 0 HA ASP A 147 8.020 13.458 -10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 147 9.162 15.930 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 147 9.337 15.585 -9.841 1.00 0.00 H new ATOM 2222 N GLU A 148 5.761 15.407 -11.162 1.00 0.00 N ATOM 2223 CA GLU A 148 4.504 16.015 -10.745 1.00 0.00 C ATOM 2224 C GLU A 148 3.908 15.243 -9.569 1.00 0.00 C ATOM 2225 O GLU A 148 3.422 15.827 -8.603 1.00 0.00 O ATOM 2226 CB GLU A 148 3.508 16.007 -11.908 1.00 0.00 C ATOM 2227 CG GLU A 148 2.129 16.529 -11.536 1.00 0.00 C ATOM 2228 CD GLU A 148 1.077 16.199 -12.576 1.00 0.00 C ATOM 2229 OE1 GLU A 148 0.884 17.003 -13.507 1.00 0.00 O1- ATOM 2230 OE2 GLU A 148 0.435 15.131 -12.460 1.00 0.00 O ATOM 0 H GLU A 148 5.799 15.172 -12.154 1.00 0.00 H new ATOM 0 HA GLU A 148 4.701 17.043 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 148 3.908 16.612 -12.722 1.00 0.00 H new ATOM 0 HB3 GLU A 148 3.412 14.989 -12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 148 1.831 16.105 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 148 2.178 17.610 -11.405 1.00 0.00 H new ATOM 2237 N ASN A 149 3.964 13.919 -9.659 1.00 0.00 N ATOM 2238 CA ASN A 149 3.422 13.056 -8.624 1.00 0.00 C ATOM 2239 C ASN A 149 4.450 12.873 -7.512 1.00 0.00 C ATOM 2240 O ASN A 149 4.124 12.417 -6.422 1.00 0.00 O ATOM 2241 CB ASN A 149 3.047 11.696 -9.227 1.00 0.00 C ATOM 2242 CG ASN A 149 2.326 10.779 -8.254 1.00 0.00 C ATOM 2243 OD1 ASN A 149 2.545 9.569 -8.259 1.00 0.00 O ATOM 2244 ND2 ASN A 149 1.437 11.337 -7.447 1.00 0.00 N ATOM 0 H ASN A 149 4.383 13.421 -10.444 1.00 0.00 H new ATOM 0 HA ASN A 149 2.527 13.516 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 149 2.414 11.857 -10.099 1.00 0.00 H new ATOM 0 HB3 ASN A 149 3.953 11.201 -9.577 1.00 0.00 H new ATOM 0 HD21 ASN A 149 0.904 10.759 -6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 149 1.285 12.345 -7.474 1.00 0.00 H new ATOM 2251 N GLU A 150 5.694 13.264 -7.830 1.00 0.00 N ATOM 2252 CA GLU A 150 6.877 13.109 -6.964 1.00 0.00 C ATOM 2253 C GLU A 150 6.976 11.703 -6.374 1.00 0.00 C ATOM 2254 O GLU A 150 7.629 11.491 -5.348 1.00 0.00 O ATOM 2255 CB GLU A 150 6.913 14.167 -5.845 1.00 0.00 C ATOM 2256 CG GLU A 150 5.915 13.934 -4.724 1.00 0.00 C ATOM 2257 CD GLU A 150 6.127 14.851 -3.537 1.00 0.00 C ATOM 2258 OE1 GLU A 150 6.958 14.518 -2.665 1.00 0.00 O ATOM 2259 OE2 GLU A 150 5.461 15.903 -3.462 1.00 0.00 O1- ATOM 0 H GLU A 150 5.912 13.709 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 150 7.746 13.265 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.917 14.194 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.725 15.147 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.905 14.077 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.986 12.898 -4.392 1.00 0.00 H new ATOM 2266 N GLN A 151 6.354 10.741 -7.041 1.00 0.00 N ATOM 2267 CA GLN A 151 6.281 9.389 -6.541 1.00 0.00 C ATOM 2268 C GLN A 151 6.383 8.378 -7.674 1.00 0.00 C ATOM 2269 O GLN A 151 5.853 8.592 -8.764 1.00 0.00 O ATOM 2270 CB GLN A 151 4.967 9.194 -5.797 1.00 0.00 C ATOM 2271 CG GLN A 151 4.847 10.031 -4.534 1.00 0.00 C ATOM 2272 CD GLN A 151 3.560 9.783 -3.772 1.00 0.00 C ATOM 2273 OE1 GLN A 151 2.532 10.406 -4.037 1.00 0.00 O ATOM 2274 NE2 GLN A 151 3.611 8.888 -2.801 1.00 0.00 N ATOM 0 H GLN A 151 5.890 10.882 -7.939 1.00 0.00 H new ATOM 0 HA GLN A 151 7.119 9.227 -5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 151 4.142 9.441 -6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 151 4.861 8.141 -5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 151 5.694 9.817 -3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 151 4.907 11.087 -4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 151 4.481 8.391 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 151 2.780 8.694 -2.242 1.00 0.00 H new ATOM 2283 N VAL A 152 7.072 7.280 -7.404 1.00 0.00 N ATOM 2284 CA VAL A 152 7.172 6.164 -8.338 1.00 0.00 C ATOM 2285 C VAL A 152 6.883 4.867 -7.588 1.00 0.00 C ATOM 2286 O VAL A 152 6.898 4.856 -6.356 1.00 0.00 O ATOM 2287 CB VAL A 152 8.564 6.084 -9.007 1.00 0.00 C ATOM 2288 CG1 VAL A 152 8.786 7.271 -9.934 1.00 0.00 C ATOM 2289 CG2 VAL A 152 9.665 6.017 -7.961 1.00 0.00 C ATOM 0 H VAL A 152 7.579 7.135 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 152 6.442 6.319 -9.133 1.00 0.00 H new ATOM 0 HB VAL A 152 8.599 5.171 -9.601 1.00 0.00 H new ATOM 0 HG11 VAL A 152 9.771 7.194 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 152 8.022 7.273 -10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 152 8.724 8.196 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 152 10.634 5.961 -8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 152 9.628 6.909 -7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 152 9.524 5.132 -7.340 1.00 0.00 H new ATOM 2299 N ILE A 153 6.596 3.793 -8.308 1.00 0.00 N ATOM 2300 CA ILE A 153 6.234 2.542 -7.658 1.00 0.00 C ATOM 2301 C ILE A 153 7.337 1.501 -7.751 1.00 0.00 C ATOM 2302 O ILE A 153 8.022 1.384 -8.764 1.00 0.00 O ATOM 2303 CB ILE A 153 4.952 1.912 -8.251 1.00 0.00 C ATOM 2304 CG1 ILE A 153 3.772 2.874 -8.139 1.00 0.00 C ATOM 2305 CG2 ILE A 153 4.640 0.602 -7.546 1.00 0.00 C ATOM 2306 CD1 ILE A 153 2.428 2.239 -8.429 1.00 0.00 C ATOM 0 H ILE A 153 6.606 3.761 -9.327 1.00 0.00 H new ATOM 0 HA ILE A 153 6.064 2.814 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 153 5.124 1.710 -9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 153 3.754 3.295 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 153 3.926 3.704 -8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 153 3.736 0.167 -7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 153 5.472 -0.089 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 153 4.488 0.788 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 153 1.642 2.988 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 153 2.424 1.843 -9.445 1.00 0.00 H new ATOM 0 HD13 ILE A 153 2.249 1.428 -7.723 1.00 0.00 H new ATOM 2318 N VAL A 154 7.493 0.761 -6.670 1.00 0.00 N ATOM 2319 CA VAL A 154 8.231 -0.482 -6.678 1.00 0.00 C ATOM 2320 C VAL A 154 7.361 -1.560 -6.052 1.00 0.00 C ATOM 2321 O VAL A 154 6.633 -1.303 -5.089 1.00 0.00 O ATOM 2322 CB VAL A 154 9.581 -0.365 -5.944 1.00 0.00 C ATOM 2323 CG1 VAL A 154 9.402 0.281 -4.584 1.00 0.00 C ATOM 2324 CG2 VAL A 154 10.263 -1.725 -5.812 1.00 0.00 C ATOM 0 H VAL A 154 7.108 1.009 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 154 8.470 -0.743 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 154 10.229 0.274 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 154 10.369 0.353 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 154 8.983 1.279 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 154 8.726 -0.324 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 154 11.212 -1.607 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 154 9.620 -2.401 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 154 10.444 -2.139 -6.804 1.00 0.00 H new ATOM 2334 N LYS A 155 7.386 -2.745 -6.626 1.00 0.00 N ATOM 2335 CA LYS A 155 6.534 -3.819 -6.158 1.00 0.00 C ATOM 2336 C LYS A 155 7.326 -4.752 -5.265 1.00 0.00 C ATOM 2337 O LYS A 155 8.481 -5.060 -5.560 1.00 0.00 O ATOM 2338 CB LYS A 155 5.952 -4.634 -7.319 1.00 0.00 C ATOM 2339 CG LYS A 155 5.446 -3.815 -8.497 1.00 0.00 C ATOM 2340 CD LYS A 155 6.588 -3.379 -9.395 1.00 0.00 C ATOM 2341 CE LYS A 155 6.095 -2.863 -10.730 1.00 0.00 C ATOM 2342 NZ LYS A 155 5.618 -3.954 -11.623 1.00 0.00 N1+ ATOM 0 H LYS A 155 7.985 -2.989 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 155 5.712 -3.363 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 155 6.717 -5.322 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 155 5.130 -5.241 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 155 4.732 -4.404 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 155 4.913 -2.938 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 155 7.165 -2.600 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 155 7.262 -4.220 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 155 5.285 -2.153 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 155 6.899 -2.319 -11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 5.452 -3.574 -12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 6.337 -4.704 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 4.731 -4.347 -11.248 1.00 0.00 H new ATOM 2356 N ILE A 156 6.709 -5.168 -4.172 1.00 0.00 N ATOM 2357 CA ILE A 156 7.253 -6.225 -3.342 1.00 0.00 C ATOM 2358 C ILE A 156 6.328 -7.435 -3.420 1.00 0.00 C ATOM 2359 O ILE A 156 5.190 -7.387 -2.949 1.00 0.00 O ATOM 2360 CB ILE A 156 7.413 -5.788 -1.863 1.00 0.00 C ATOM 2361 CG1 ILE A 156 8.358 -4.584 -1.750 1.00 0.00 C ATOM 2362 CG2 ILE A 156 7.929 -6.949 -1.021 1.00 0.00 C ATOM 2363 CD1 ILE A 156 8.555 -4.082 -0.328 1.00 0.00 C ATOM 0 H ILE A 156 5.824 -4.785 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 156 8.247 -6.471 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 156 6.435 -5.490 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 156 9.328 -4.857 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 156 7.967 -3.770 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 156 8.036 -6.628 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 156 7.223 -7.778 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 156 8.897 -7.273 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 156 9.236 -3.231 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 156 7.594 -3.776 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 156 8.977 -4.879 0.284 1.00 0.00 H new ATOM 2375 N ILE A 157 6.804 -8.497 -4.047 1.00 0.00 N ATOM 2376 CA ILE A 157 6.018 -9.717 -4.191 1.00 0.00 C ATOM 2377 C ILE A 157 6.670 -10.837 -3.394 1.00 0.00 C ATOM 2378 O ILE A 157 7.896 -10.945 -3.366 1.00 0.00 O ATOM 2379 CB ILE A 157 5.885 -10.167 -5.672 1.00 0.00 C ATOM 2380 CG1 ILE A 157 5.317 -9.046 -6.549 1.00 0.00 C ATOM 2381 CG2 ILE A 157 5.004 -11.405 -5.779 1.00 0.00 C ATOM 2382 CD1 ILE A 157 6.357 -8.071 -7.059 1.00 0.00 C ATOM 0 H ILE A 157 7.733 -8.542 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 157 5.017 -9.502 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 157 6.885 -10.408 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 157 4.804 -9.491 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 157 4.569 -8.496 -5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 157 4.923 -11.705 -6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 157 5.446 -12.217 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 157 4.012 -11.180 -5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 157 5.873 -7.310 -7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 157 6.855 -7.595 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 157 7.093 -8.605 -7.660 1.00 0.00 H new ATOM 2394 N GLY A 158 5.864 -11.663 -2.748 1.00 0.00 N ATOM 2395 CA GLY A 158 6.412 -12.747 -1.967 1.00 0.00 C ATOM 2396 C GLY A 158 5.472 -13.215 -0.883 1.00 0.00 C ATOM 2397 O GLY A 158 4.297 -12.838 -0.862 1.00 0.00 O ATOM 0 H GLY A 158 4.846 -11.602 -2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 158 6.645 -13.583 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 158 7.351 -12.426 -1.515 1.00 0.00 H new ATOM 2401 N HIS A 159 5.997 -14.037 0.015 1.00 0.00 N ATOM 2402 CA HIS A 159 5.209 -14.609 1.101 1.00 0.00 C ATOM 2403 C HIS A 159 4.954 -13.561 2.182 1.00 0.00 C ATOM 2404 O HIS A 159 5.673 -12.569 2.259 1.00 0.00 O ATOM 2405 CB HIS A 159 5.946 -15.818 1.685 1.00 0.00 C ATOM 2406 CG HIS A 159 5.081 -16.740 2.488 1.00 0.00 C ATOM 2407 ND1 HIS A 159 4.043 -17.521 2.121 1.00 0.00 N flip ATOM 2408 CD2 HIS A 159 5.262 -16.955 3.833 1.00 0.00 C flip ATOM 2409 CE1 HIS A 159 3.614 -18.188 3.239 1.00 0.00 C flip ATOM 2410 NE2 HIS A 159 4.369 -17.829 4.260 1.00 0.00 N flip ATOM 0 H HIS A 159 6.975 -14.326 0.013 1.00 0.00 H new ATOM 0 HA HIS A 159 4.245 -14.935 0.712 1.00 0.00 H new ATOM 0 HB2 HIS A 159 6.398 -16.382 0.869 1.00 0.00 H new ATOM 0 HB3 HIS A 159 6.761 -15.462 2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 159 6.016 -16.483 4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 159 2.795 -18.890 3.278 1.00 0.00 H new ATOM 0 HE2 HIS A 159 4.278 -18.169 5.217 1.00 0.00 H new ATOM 2419 N PHE A 160 3.946 -13.802 3.021 1.00 0.00 N ATOM 2420 CA PHE A 160 3.488 -12.824 4.003 1.00 0.00 C ATOM 2421 C PHE A 160 4.629 -12.226 4.833 1.00 0.00 C ATOM 2422 O PHE A 160 4.746 -11.007 4.928 1.00 0.00 O ATOM 2423 CB PHE A 160 2.440 -13.482 4.910 1.00 0.00 C ATOM 2424 CG PHE A 160 2.171 -12.737 6.181 1.00 0.00 C ATOM 2425 CD1 PHE A 160 1.523 -11.516 6.164 1.00 0.00 C ATOM 2426 CD2 PHE A 160 2.568 -13.266 7.398 1.00 0.00 C ATOM 2427 CE1 PHE A 160 1.277 -10.835 7.337 1.00 0.00 C ATOM 2428 CE2 PHE A 160 2.324 -12.589 8.573 1.00 0.00 C ATOM 2429 CZ PHE A 160 1.679 -11.371 8.544 1.00 0.00 C ATOM 0 H PHE A 160 3.426 -14.679 3.038 1.00 0.00 H new ATOM 0 HA PHE A 160 3.046 -11.988 3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 160 1.507 -13.580 4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 160 2.772 -14.491 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 160 1.206 -11.092 5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 160 3.074 -14.220 7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 160 0.770 -9.882 7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 160 2.638 -13.012 9.516 1.00 0.00 H new ATOM 0 HZ PHE A 160 1.489 -10.837 9.463 1.00 0.00 H new ATOM 2439 N TYR A 161 5.485 -13.072 5.395 1.00 0.00 N ATOM 2440 CA TYR A 161 6.568 -12.585 6.246 1.00 0.00 C ATOM 2441 C TYR A 161 7.640 -11.880 5.424 1.00 0.00 C ATOM 2442 O TYR A 161 8.066 -10.780 5.768 1.00 0.00 O ATOM 2443 CB TYR A 161 7.190 -13.725 7.053 1.00 0.00 C ATOM 2444 CG TYR A 161 6.285 -14.290 8.122 1.00 0.00 C ATOM 2445 CD1 TYR A 161 6.032 -13.581 9.291 1.00 0.00 C ATOM 2446 CD2 TYR A 161 5.698 -15.537 7.973 1.00 0.00 C ATOM 2447 CE1 TYR A 161 5.219 -14.102 10.280 1.00 0.00 C ATOM 2448 CE2 TYR A 161 4.882 -16.063 8.954 1.00 0.00 C ATOM 2449 CZ TYR A 161 4.646 -15.343 10.107 1.00 0.00 C ATOM 2450 OH TYR A 161 3.838 -15.871 11.088 1.00 0.00 O ATOM 0 H TYR A 161 5.453 -14.085 5.280 1.00 0.00 H new ATOM 0 HA TYR A 161 6.137 -11.864 6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 161 7.473 -14.527 6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 161 8.107 -13.366 7.521 1.00 0.00 H new ATOM 0 HD1 TYR A 161 6.478 -12.607 9.429 1.00 0.00 H new ATOM 0 HD2 TYR A 161 5.882 -16.107 7.074 1.00 0.00 H new ATOM 0 HE1 TYR A 161 5.034 -13.540 11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 161 4.430 -17.035 8.820 1.00 0.00 H new ATOM 0 HH TYR A 161 3.515 -16.752 10.806 1.00 0.00 H new ATOM 2460 N ALA A 162 8.058 -12.512 4.331 1.00 0.00 N ATOM 2461 CA ALA A 162 9.086 -11.943 3.464 1.00 0.00 C ATOM 2462 C ALA A 162 8.649 -10.589 2.922 1.00 0.00 C ATOM 2463 O ALA A 162 9.417 -9.626 2.931 1.00 0.00 O ATOM 2464 CB ALA A 162 9.399 -12.891 2.312 1.00 0.00 C ATOM 0 H ALA A 162 7.701 -13.417 4.025 1.00 0.00 H new ATOM 0 HA ALA A 162 9.988 -11.803 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 162 10.167 -12.450 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 162 9.758 -13.841 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 162 8.496 -13.061 1.725 1.00 0.00 H new ATOM 2470 N SER A 163 7.399 -10.519 2.478 1.00 0.00 N ATOM 2471 CA SER A 163 6.866 -9.305 1.887 1.00 0.00 C ATOM 2472 C SER A 163 6.829 -8.169 2.902 1.00 0.00 C ATOM 2473 O SER A 163 7.367 -7.098 2.644 1.00 0.00 O ATOM 2474 CB SER A 163 5.465 -9.562 1.327 1.00 0.00 C ATOM 2475 OG SER A 163 4.871 -8.367 0.843 1.00 0.00 O ATOM 0 H SER A 163 6.737 -11.294 2.518 1.00 0.00 H new ATOM 0 HA SER A 163 7.526 -9.007 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 163 5.523 -10.293 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 163 4.835 -9.994 2.104 1.00 0.00 H new ATOM 0 HG SER A 163 3.897 -8.428 0.928 1.00 0.00 H new ATOM 2481 N GLN A 164 6.232 -8.408 4.069 1.00 0.00 N ATOM 2482 CA GLN A 164 6.109 -7.352 5.076 1.00 0.00 C ATOM 2483 C GLN A 164 7.475 -6.952 5.635 1.00 0.00 C ATOM 2484 O GLN A 164 7.709 -5.780 5.934 1.00 0.00 O ATOM 2485 CB GLN A 164 5.171 -7.762 6.217 1.00 0.00 C ATOM 2486 CG GLN A 164 5.641 -8.977 6.998 1.00 0.00 C ATOM 2487 CD GLN A 164 4.824 -9.216 8.248 1.00 0.00 C ATOM 2488 OE1 GLN A 164 3.574 -8.788 8.232 1.00 0.00 O flip ATOM 2489 NE2 GLN A 164 5.319 -9.769 9.228 1.00 0.00 N flip ATOM 0 H GLN A 164 5.832 -9.307 4.339 1.00 0.00 H new ATOM 0 HA GLN A 164 5.675 -6.488 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 164 5.062 -6.922 6.903 1.00 0.00 H new ATOM 0 HB3 GLN A 164 4.183 -7.968 5.805 1.00 0.00 H new ATOM 0 HG2 GLN A 164 5.587 -9.858 6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 164 6.688 -8.846 7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 164 6.288 -10.085 9.200 1.00 0.00 H new ATOM 0 HE22 GLN A 164 4.760 -9.912 10.069 1.00 0.00 H new ATOM 2498 N MET A 165 8.376 -7.923 5.766 1.00 0.00 N ATOM 2499 CA MET A 165 9.723 -7.649 6.247 1.00 0.00 C ATOM 2500 C MET A 165 10.457 -6.761 5.254 1.00 0.00 C ATOM 2501 O MET A 165 11.230 -5.881 5.638 1.00 0.00 O ATOM 2502 CB MET A 165 10.488 -8.952 6.461 1.00 0.00 C ATOM 2503 CG MET A 165 11.858 -8.757 7.087 1.00 0.00 C ATOM 2504 SD MET A 165 12.736 -10.313 7.318 1.00 0.00 S ATOM 2505 CE MET A 165 12.750 -10.927 5.638 1.00 0.00 C ATOM 0 H MET A 165 8.196 -8.903 5.546 1.00 0.00 H new ATOM 0 HA MET A 165 9.656 -7.129 7.203 1.00 0.00 H new ATOM 0 HB2 MET A 165 9.897 -9.610 7.098 1.00 0.00 H new ATOM 0 HB3 MET A 165 10.604 -9.457 5.502 1.00 0.00 H new ATOM 0 HG2 MET A 165 12.453 -8.098 6.455 1.00 0.00 H new ATOM 0 HG3 MET A 165 11.747 -8.259 8.050 1.00 0.00 H new ATOM 0 HE1 MET A 165 13.748 -11.289 5.391 1.00 0.00 H new ATOM 0 HE2 MET A 165 12.034 -11.743 5.543 1.00 0.00 H new ATOM 0 HE3 MET A 165 12.476 -10.123 4.955 1.00 0.00 H new ATOM 2515 N ALA A 166 10.200 -6.994 3.974 1.00 0.00 N ATOM 2516 CA ALA A 166 10.741 -6.154 2.924 1.00 0.00 C ATOM 2517 C ALA A 166 10.089 -4.782 2.960 1.00 0.00 C ATOM 2518 O ALA A 166 10.765 -3.765 2.848 1.00 0.00 O ATOM 2519 CB ALA A 166 10.535 -6.799 1.560 1.00 0.00 C ATOM 0 H ALA A 166 9.617 -7.762 3.641 1.00 0.00 H new ATOM 0 HA ALA A 166 11.812 -6.040 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 166 10.948 -6.153 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 166 11.040 -7.765 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 166 9.469 -6.942 1.383 1.00 0.00 H new ATOM 2525 N GLN A 167 8.774 -4.767 3.145 1.00 0.00 N ATOM 2526 CA GLN A 167 8.001 -3.534 3.133 1.00 0.00 C ATOM 2527 C GLN A 167 8.599 -2.497 4.070 1.00 0.00 C ATOM 2528 O GLN A 167 8.971 -1.405 3.635 1.00 0.00 O ATOM 2529 CB GLN A 167 6.549 -3.808 3.525 1.00 0.00 C ATOM 2530 CG GLN A 167 5.773 -4.615 2.498 1.00 0.00 C ATOM 2531 CD GLN A 167 4.348 -4.878 2.930 1.00 0.00 C ATOM 2532 OE1 GLN A 167 3.754 -4.079 3.651 1.00 0.00 O ATOM 2533 NE2 GLN A 167 3.794 -5.995 2.491 1.00 0.00 N ATOM 0 H GLN A 167 8.217 -5.606 3.307 1.00 0.00 H new ATOM 0 HA GLN A 167 8.030 -3.137 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 167 6.535 -4.340 4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 167 6.041 -2.857 3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 167 5.769 -4.081 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 167 6.280 -5.565 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 167 4.326 -6.628 1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 167 2.834 -6.224 2.749 1.00 0.00 H new ATOM 2542 N ARG A 168 8.740 -2.861 5.339 1.00 0.00 N ATOM 2543 CA ARG A 168 9.283 -1.951 6.341 1.00 0.00 C ATOM 2544 C ARG A 168 10.686 -1.484 5.955 1.00 0.00 C ATOM 2545 O ARG A 168 11.093 -0.373 6.292 1.00 0.00 O ATOM 2546 CB ARG A 168 9.319 -2.602 7.730 1.00 0.00 C ATOM 2547 CG ARG A 168 10.287 -3.768 7.843 1.00 0.00 C ATOM 2548 CD ARG A 168 10.953 -3.803 9.210 1.00 0.00 C ATOM 2549 NE ARG A 168 11.644 -2.546 9.504 1.00 0.00 N ATOM 2550 CZ ARG A 168 12.900 -2.461 9.941 1.00 0.00 C ATOM 2551 NH1 ARG A 168 13.622 -3.555 10.147 1.00 0.00 N1+ ATOM 2552 NH2 ARG A 168 13.437 -1.271 10.174 1.00 0.00 N ATOM 0 H ARG A 168 8.486 -3.781 5.699 1.00 0.00 H new ATOM 0 HA ARG A 168 8.620 -1.086 6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 168 9.590 -1.846 8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 168 8.317 -2.949 7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 168 9.754 -4.703 7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 168 11.048 -3.688 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 168 10.202 -3.994 9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 168 11.665 -4.628 9.248 1.00 0.00 H new ATOM 0 HE ARG A 168 11.129 -1.677 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 168 13.217 -4.474 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 168 14.582 -3.477 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 168 12.889 -0.425 10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 168 14.398 -1.202 10.509 1.00 0.00 H new ATOM 2566 N LYS A 169 11.421 -2.329 5.234 1.00 0.00 N ATOM 2567 CA LYS A 169 12.819 -2.053 4.942 1.00 0.00 C ATOM 2568 C LYS A 169 12.935 -0.979 3.870 1.00 0.00 C ATOM 2569 O LYS A 169 13.831 -0.134 3.916 1.00 0.00 O ATOM 2570 CB LYS A 169 13.540 -3.331 4.501 1.00 0.00 C ATOM 2571 CG LYS A 169 15.053 -3.186 4.348 1.00 0.00 C ATOM 2572 CD LYS A 169 15.783 -3.168 5.692 1.00 0.00 C ATOM 2573 CE LYS A 169 15.628 -1.842 6.431 1.00 0.00 C ATOM 2574 NZ LYS A 169 16.165 -0.697 5.649 1.00 0.00 N1+ ATOM 0 H LYS A 169 11.071 -3.204 4.845 1.00 0.00 H new ATOM 0 HA LYS A 169 13.295 -1.687 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 169 13.335 -4.117 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 169 13.121 -3.659 3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 169 15.434 -4.009 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 169 15.273 -2.265 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 169 15.402 -3.975 6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 169 16.842 -3.366 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 169 14.574 -1.670 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 169 16.144 -1.899 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 16.322 0.113 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 17.066 -0.971 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 15.483 -0.431 4.910 1.00 0.00 H new ATOM 2588 N ILE A 170 12.018 -1.010 2.915 1.00 0.00 N ATOM 2589 CA ILE A 170 11.998 -0.021 1.848 1.00 0.00 C ATOM 2590 C ILE A 170 11.474 1.319 2.370 1.00 0.00 C ATOM 2591 O ILE A 170 12.041 2.369 2.070 1.00 0.00 O ATOM 2592 CB ILE A 170 11.157 -0.489 0.625 1.00 0.00 C ATOM 2593 CG1 ILE A 170 11.929 -1.517 -0.221 1.00 0.00 C ATOM 2594 CG2 ILE A 170 10.760 0.699 -0.245 1.00 0.00 C ATOM 2595 CD1 ILE A 170 12.198 -2.842 0.466 1.00 0.00 C ATOM 0 H ILE A 170 11.278 -1.709 2.857 1.00 0.00 H new ATOM 0 HA ILE A 170 13.026 0.103 1.507 1.00 0.00 H new ATOM 0 HB ILE A 170 10.255 -0.964 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 170 11.368 -1.707 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 170 12.882 -1.079 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 170 10.173 0.348 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 170 10.166 1.398 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 170 11.657 1.201 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 170 12.746 -3.498 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 170 12.790 -2.672 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 170 11.252 -3.310 0.737 1.00 0.00 H new ATOM 2607 N ARG A 171 10.419 1.285 3.186 1.00 0.00 N ATOM 2608 CA ARG A 171 9.860 2.519 3.746 1.00 0.00 C ATOM 2609 C ARG A 171 10.893 3.176 4.658 1.00 0.00 C ATOM 2610 O ARG A 171 10.889 4.389 4.861 1.00 0.00 O ATOM 2611 CB ARG A 171 8.565 2.255 4.533 1.00 0.00 C ATOM 2612 CG ARG A 171 7.635 1.238 3.887 1.00 0.00 C ATOM 2613 CD ARG A 171 7.262 1.591 2.465 1.00 0.00 C ATOM 2614 NE ARG A 171 6.977 0.393 1.662 1.00 0.00 N ATOM 2615 CZ ARG A 171 6.214 -0.651 2.045 1.00 0.00 C ATOM 2616 NH1 ARG A 171 5.626 -0.695 3.243 1.00 0.00 N1+ ATOM 2617 NH2 ARG A 171 6.046 -1.672 1.210 1.00 0.00 N ATOM 0 H ARG A 171 9.940 0.431 3.471 1.00 0.00 H new ATOM 0 HA ARG A 171 9.614 3.183 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 171 8.826 1.908 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 171 8.028 3.196 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 171 8.114 0.259 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 171 6.727 1.155 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 171 6.388 2.242 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 171 8.075 2.152 2.005 1.00 0.00 H new ATOM 0 HE ARG A 171 7.394 0.347 0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 171 5.748 0.076 3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 171 5.055 -1.500 3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 171 6.492 -1.659 0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 171 5.471 -2.468 1.487 1.00 0.00 H new ATOM 2631 N ASP A 172 11.786 2.351 5.190 1.00 0.00 N ATOM 2632 CA ASP A 172 12.842 2.813 6.084 1.00 0.00 C ATOM 2633 C ASP A 172 13.926 3.575 5.326 1.00 0.00 C ATOM 2634 O ASP A 172 14.373 4.635 5.769 1.00 0.00 O ATOM 2635 CB ASP A 172 13.453 1.622 6.830 1.00 0.00 C ATOM 2636 CG ASP A 172 14.753 1.960 7.533 1.00 0.00 C ATOM 2637 OD1 ASP A 172 14.719 2.671 8.553 1.00 0.00 O1- ATOM 2638 OD2 ASP A 172 15.817 1.502 7.062 1.00 0.00 O ATOM 0 H ASP A 172 11.800 1.346 5.015 1.00 0.00 H new ATOM 0 HA ASP A 172 12.397 3.500 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 172 12.736 1.255 7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 172 13.630 0.811 6.123 1.00 0.00 H new ATOM 2643 N ILE A 173 14.342 3.047 4.180 1.00 0.00 N ATOM 2644 CA ILE A 173 15.399 3.686 3.405 1.00 0.00 C ATOM 2645 C ILE A 173 14.902 4.978 2.770 1.00 0.00 C ATOM 2646 O ILE A 173 15.698 5.838 2.390 1.00 0.00 O ATOM 2647 CB ILE A 173 16.016 2.744 2.335 1.00 0.00 C ATOM 2648 CG1 ILE A 173 14.972 2.228 1.335 1.00 0.00 C ATOM 2649 CG2 ILE A 173 16.716 1.574 3.006 1.00 0.00 C ATOM 2650 CD1 ILE A 173 14.746 3.140 0.147 1.00 0.00 C ATOM 0 H ILE A 173 13.969 2.190 3.771 1.00 0.00 H new ATOM 0 HA ILE A 173 16.198 3.926 4.107 1.00 0.00 H new ATOM 0 HB ILE A 173 16.741 3.332 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 173 15.285 1.249 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 173 14.025 2.087 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 173 17.144 0.921 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 173 17.510 1.947 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 173 15.996 1.013 3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 173 13.994 2.702 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 173 14.400 4.113 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 173 15.680 3.262 -0.401 1.00 0.00 H new ATOM 2662 N LEU A 174 13.583 5.119 2.665 1.00 0.00 N ATOM 2663 CA LEU A 174 12.985 6.358 2.174 1.00 0.00 C ATOM 2664 C LEU A 174 13.398 7.533 3.056 1.00 0.00 C ATOM 2665 O LEU A 174 13.600 8.649 2.574 1.00 0.00 O ATOM 2666 CB LEU A 174 11.458 6.256 2.146 1.00 0.00 C ATOM 2667 CG LEU A 174 10.891 5.073 1.361 1.00 0.00 C ATOM 2668 CD1 LEU A 174 9.378 5.176 1.263 1.00 0.00 C ATOM 2669 CD2 LEU A 174 11.517 4.990 -0.022 1.00 0.00 C ATOM 0 H LEU A 174 12.910 4.394 2.912 1.00 0.00 H new ATOM 0 HA LEU A 174 13.345 6.522 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 174 11.097 6.195 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 174 11.058 7.177 1.721 1.00 0.00 H new ATOM 0 HG LEU A 174 11.139 4.157 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 174 8.991 4.326 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 174 8.948 5.175 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 174 9.109 6.101 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 174 11.097 4.140 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 174 11.308 5.908 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 174 12.595 4.862 0.074 1.00 0.00 H new ATOM 2681 N ALA A 175 13.537 7.267 4.351 1.00 0.00 N ATOM 2682 CA ALA A 175 13.942 8.288 5.309 1.00 0.00 C ATOM 2683 C ALA A 175 15.373 8.744 5.041 1.00 0.00 C ATOM 2684 O ALA A 175 15.706 9.916 5.215 1.00 0.00 O ATOM 2685 CB ALA A 175 13.801 7.764 6.731 1.00 0.00 C ATOM 0 H ALA A 175 13.374 6.348 4.762 1.00 0.00 H new ATOM 0 HA ALA A 175 13.286 9.150 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 175 14.107 8.537 7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 175 12.762 7.494 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 175 14.433 6.885 6.859 1.00 0.00 H new ATOM 2691 N GLN A 176 16.210 7.812 4.597 1.00 0.00 N ATOM 2692 CA GLN A 176 17.589 8.125 4.238 1.00 0.00 C ATOM 2693 C GLN A 176 17.615 9.032 3.017 1.00 0.00 C ATOM 2694 O GLN A 176 18.423 9.957 2.926 1.00 0.00 O ATOM 2695 CB GLN A 176 18.372 6.845 3.947 1.00 0.00 C ATOM 2696 CG GLN A 176 18.407 5.872 5.113 1.00 0.00 C ATOM 2697 CD GLN A 176 19.206 4.621 4.805 1.00 0.00 C ATOM 2698 OE1 GLN A 176 19.279 4.179 3.658 1.00 0.00 O ATOM 2699 NE2 GLN A 176 19.815 4.043 5.827 1.00 0.00 N ATOM 0 H GLN A 176 15.957 6.831 4.477 1.00 0.00 H new ATOM 0 HA GLN A 176 18.057 8.638 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 176 17.930 6.348 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 176 19.394 7.109 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 176 18.837 6.368 5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 176 17.388 5.591 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 176 19.730 4.440 6.763 1.00 0.00 H new ATOM 0 HE22 GLN A 176 20.370 3.200 5.680 1.00 0.00 H new ATOM 2708 N VAL A 177 16.717 8.759 2.079 1.00 0.00 N ATOM 2709 CA VAL A 177 16.576 9.583 0.888 1.00 0.00 C ATOM 2710 C VAL A 177 16.137 10.993 1.271 1.00 0.00 C ATOM 2711 O VAL A 177 16.603 11.976 0.703 1.00 0.00 O ATOM 2712 CB VAL A 177 15.552 8.986 -0.103 1.00 0.00 C ATOM 2713 CG1 VAL A 177 15.514 9.795 -1.389 1.00 0.00 C ATOM 2714 CG2 VAL A 177 15.865 7.525 -0.393 1.00 0.00 C ATOM 0 H VAL A 177 16.073 7.969 2.122 1.00 0.00 H new ATOM 0 HA VAL A 177 17.550 9.615 0.400 1.00 0.00 H new ATOM 0 HB VAL A 177 14.566 9.034 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 177 14.787 9.357 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 177 15.228 10.823 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 177 16.500 9.786 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 177 15.130 7.127 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 177 16.861 7.446 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 177 15.828 6.954 0.535 1.00 0.00 H new ATOM 2724 N LYS A 178 15.249 11.078 2.253 1.00 0.00 N ATOM 2725 CA LYS A 178 14.749 12.360 2.733 1.00 0.00 C ATOM 2726 C LYS A 178 15.888 13.179 3.340 1.00 0.00 C ATOM 2727 O LYS A 178 16.021 14.371 3.066 1.00 0.00 O ATOM 2728 CB LYS A 178 13.631 12.127 3.762 1.00 0.00 C ATOM 2729 CG LYS A 178 12.735 13.335 4.027 1.00 0.00 C ATOM 2730 CD LYS A 178 13.402 14.371 4.920 1.00 0.00 C ATOM 2731 CE LYS A 178 12.499 15.571 5.161 1.00 0.00 C ATOM 2732 NZ LYS A 178 11.253 15.198 5.883 1.00 0.00 N1+ ATOM 0 H LYS A 178 14.858 10.269 2.735 1.00 0.00 H new ATOM 0 HA LYS A 178 14.339 12.923 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 178 13.009 11.300 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 178 14.084 11.816 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 178 12.465 13.798 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 178 11.808 13.001 4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 178 13.663 13.914 5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 178 14.333 14.703 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 178 13.040 16.322 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 178 12.241 16.028 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 10.758 16.060 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 10.635 14.651 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 11.493 14.622 6.715 1.00 0.00 H new ATOM 2746 N GLN A 179 16.720 12.529 4.148 1.00 0.00 N ATOM 2747 CA GLN A 179 17.835 13.209 4.797 1.00 0.00 C ATOM 2748 C GLN A 179 18.920 13.584 3.784 1.00 0.00 C ATOM 2749 O GLN A 179 19.626 14.576 3.958 1.00 0.00 O ATOM 2750 CB GLN A 179 18.404 12.346 5.926 1.00 0.00 C ATOM 2751 CG GLN A 179 17.423 12.156 7.078 1.00 0.00 C ATOM 2752 CD GLN A 179 17.976 11.300 8.200 1.00 0.00 C ATOM 2753 OE1 GLN A 179 18.795 10.407 7.980 1.00 0.00 O ATOM 2754 NE2 GLN A 179 17.521 11.560 9.415 1.00 0.00 N ATOM 0 H GLN A 179 16.644 11.536 4.368 1.00 0.00 H new ATOM 0 HA GLN A 179 17.462 14.136 5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 179 18.681 11.370 5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 179 19.317 12.807 6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 179 17.148 13.132 7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 179 16.510 11.698 6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 179 16.843 12.309 9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 179 17.849 11.012 10.210 1.00 0.00 H new ATOM 2763 N GLN A 180 19.040 12.803 2.716 1.00 0.00 N ATOM 2764 CA GLN A 180 19.947 13.150 1.625 1.00 0.00 C ATOM 2765 C GLN A 180 19.374 14.306 0.812 1.00 0.00 C ATOM 2766 O GLN A 180 20.106 15.187 0.354 1.00 0.00 O ATOM 2767 CB GLN A 180 20.180 11.951 0.707 1.00 0.00 C ATOM 2768 CG GLN A 180 20.992 12.292 -0.535 1.00 0.00 C ATOM 2769 CD GLN A 180 21.052 11.153 -1.530 1.00 0.00 C ATOM 2770 OE1 GLN A 180 20.139 10.335 -1.605 1.00 0.00 O ATOM 2771 NE2 GLN A 180 22.115 11.110 -2.318 1.00 0.00 N ATOM 0 H GLN A 180 18.526 11.932 2.581 1.00 0.00 H new ATOM 0 HA GLN A 180 20.900 13.448 2.062 1.00 0.00 H new ATOM 0 HB2 GLN A 180 20.695 11.169 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 180 19.216 11.543 0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 180 20.558 13.167 -1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 180 22.005 12.562 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 180 22.850 11.810 -2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 180 22.199 10.377 -3.022 1.00 0.00 H new ATOM 2780 N HIS A 181 18.056 14.293 0.646 1.00 0.00 N ATOM 2781 CA HIS A 181 17.352 15.302 -0.139 1.00 0.00 C ATOM 2782 C HIS A 181 17.508 16.689 0.480 1.00 0.00 C ATOM 2783 O HIS A 181 17.308 17.698 -0.196 1.00 0.00 O ATOM 2784 CB HIS A 181 15.870 14.938 -0.262 1.00 0.00 C ATOM 2785 CG HIS A 181 15.104 15.819 -1.202 1.00 0.00 C ATOM 2786 ND1 HIS A 181 14.322 16.869 -0.776 1.00 0.00 N ATOM 2787 CD2 HIS A 181 15.003 15.802 -2.553 1.00 0.00 C ATOM 2788 CE1 HIS A 181 13.772 17.458 -1.821 1.00 0.00 C ATOM 2789 NE2 HIS A 181 14.170 16.832 -2.910 1.00 0.00 N ATOM 0 H HIS A 181 17.445 13.584 1.051 1.00 0.00 H new ATOM 0 HA HIS A 181 17.794 15.326 -1.135 1.00 0.00 H new ATOM 0 HB2 HIS A 181 15.787 13.905 -0.599 1.00 0.00 H new ATOM 0 HB3 HIS A 181 15.410 14.990 0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 181 15.488 15.108 -3.223 1.00 0.00 H new ATOM 0 HE1 HIS A 181 13.108 18.309 -1.789 1.00 0.00 H new ATOM 0 HE2 HIS A 181 13.902 17.074 -3.864 1.00 0.00 H new ATOM 2798 N GLN A 182 17.840 16.726 1.772 1.00 0.00 N ATOM 2799 CA GLN A 182 18.147 17.981 2.454 1.00 0.00 C ATOM 2800 C GLN A 182 19.183 18.773 1.659 1.00 0.00 C ATOM 2801 O GLN A 182 19.070 19.991 1.530 1.00 0.00 O ATOM 2802 CB GLN A 182 18.655 17.706 3.873 1.00 0.00 C ATOM 2803 CG GLN A 182 17.570 17.225 4.828 1.00 0.00 C ATOM 2804 CD GLN A 182 18.116 16.797 6.179 1.00 0.00 C ATOM 2805 OE1 GLN A 182 19.311 16.230 6.186 1.00 0.00 O flip ATOM 2806 NE2 GLN A 182 17.456 16.950 7.207 1.00 0.00 N flip ATOM 0 H GLN A 182 17.903 15.899 2.366 1.00 0.00 H new ATOM 0 HA GLN A 182 17.235 18.574 2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 182 19.445 16.957 3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 182 19.101 18.617 4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 182 16.841 18.023 4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 182 17.040 16.387 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 182 16.538 17.392 7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 182 17.828 16.635 8.103 1.00 0.00 H new ATOM 2815 N LYS A 183 20.180 18.055 1.133 1.00 0.00 N ATOM 2816 CA LYS A 183 21.140 18.594 0.167 1.00 0.00 C ATOM 2817 C LYS A 183 21.746 19.918 0.634 1.00 0.00 C ATOM 2818 O LYS A 183 21.366 20.993 0.165 1.00 0.00 O ATOM 2819 CB LYS A 183 20.456 18.766 -1.193 1.00 0.00 C ATOM 2820 CG LYS A 183 21.410 19.090 -2.331 1.00 0.00 C ATOM 2821 CD LYS A 183 20.681 19.144 -3.665 1.00 0.00 C ATOM 2822 CE LYS A 183 20.026 17.812 -3.997 1.00 0.00 C ATOM 2823 NZ LYS A 183 19.356 17.834 -5.324 1.00 0.00 N1+ ATOM 0 H LYS A 183 20.344 17.076 1.368 1.00 0.00 H new ATOM 0 HA LYS A 183 21.962 17.884 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 183 19.917 17.850 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 183 19.715 19.562 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 183 21.895 20.047 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 183 22.197 18.337 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 183 19.922 19.926 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 183 21.384 19.412 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 183 20.780 17.025 -3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 183 19.295 17.566 -3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 18.923 16.907 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 18.619 18.567 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 20.057 18.043 -6.063 1.00 0.00 H new ATOM 2837 N GLY A 184 22.688 19.832 1.557 1.00 0.00 N ATOM 2838 CA GLY A 184 23.328 21.024 2.068 1.00 0.00 C ATOM 2839 C GLY A 184 23.602 20.918 3.547 1.00 0.00 C ATOM 2840 O GLY A 184 22.771 21.320 4.368 1.00 0.00 O ATOM 0 H GLY A 184 23.022 18.958 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 184 24.264 21.192 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 184 22.693 21.889 1.876 1.00 0.00 H new ATOM 2844 N GLN A 185 24.764 20.363 3.886 1.00 0.00 N ATOM 2845 CA GLN A 185 25.137 20.125 5.277 1.00 0.00 C ATOM 2846 C GLN A 185 24.070 19.276 5.953 1.00 0.00 C ATOM 2847 O GLN A 185 23.497 19.668 6.975 1.00 0.00 O ATOM 2848 CB GLN A 185 25.340 21.447 6.039 1.00 0.00 C ATOM 2849 CG GLN A 185 26.633 22.179 5.697 1.00 0.00 C ATOM 2850 CD GLN A 185 26.733 22.577 4.235 1.00 0.00 C ATOM 2851 OE1 GLN A 185 27.249 21.823 3.406 1.00 0.00 O ATOM 2852 NE2 GLN A 185 26.242 23.760 3.910 1.00 0.00 N ATOM 0 H GLN A 185 25.468 20.068 3.209 1.00 0.00 H new ATOM 0 HA GLN A 185 26.087 19.591 5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 185 24.497 22.106 5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 185 25.325 21.241 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 185 26.710 23.073 6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 185 27.480 21.542 5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 185 25.824 24.353 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 185 26.281 24.080 2.942 1.00 0.00 H new ATOM 2861 N SER A 186 23.797 18.124 5.347 1.00 0.00 N ATOM 2862 CA SER A 186 22.748 17.226 5.807 1.00 0.00 C ATOM 2863 C SER A 186 22.959 16.840 7.266 1.00 0.00 C ATOM 2864 O SER A 186 23.861 16.066 7.599 1.00 0.00 O ATOM 2865 CB SER A 186 22.713 15.982 4.921 1.00 0.00 C ATOM 2866 OG SER A 186 22.600 16.336 3.551 1.00 0.00 O ATOM 0 H SER A 186 24.298 17.789 4.524 1.00 0.00 H new ATOM 0 HA SER A 186 21.790 17.742 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 186 23.619 15.396 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 186 21.872 15.351 5.208 1.00 0.00 H new ATOM 0 HG SER A 186 22.581 15.523 3.004 1.00 0.00 H new ATOM 2872 N GLY A 187 22.132 17.407 8.130 1.00 0.00 N ATOM 2873 CA GLY A 187 22.257 17.177 9.551 1.00 0.00 C ATOM 2874 C GLY A 187 22.087 18.461 10.334 1.00 0.00 C ATOM 2875 O GLY A 187 21.502 18.459 11.415 1.00 0.00 O ATOM 0 H GLY A 187 21.368 18.029 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 187 21.509 16.452 9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 187 23.234 16.744 9.767 1.00 0.00 H new ATOM 2879 N GLN A 188 22.594 19.560 9.767 1.00 0.00 N ATOM 2880 CA GLN A 188 22.466 20.889 10.369 1.00 0.00 C ATOM 2881 C GLN A 188 23.046 20.921 11.783 1.00 0.00 C ATOM 2882 O GLN A 188 23.984 20.182 12.092 1.00 0.00 O ATOM 2883 CB GLN A 188 20.996 21.322 10.391 1.00 0.00 C ATOM 2884 CG GLN A 188 20.391 21.526 9.010 1.00 0.00 C ATOM 2885 CD GLN A 188 21.082 22.625 8.223 1.00 0.00 C ATOM 2886 OE1 GLN A 188 20.729 23.799 8.337 1.00 0.00 O ATOM 2887 NE2 GLN A 188 22.056 22.255 7.407 1.00 0.00 N ATOM 0 H GLN A 188 23.102 19.553 8.882 1.00 0.00 H new ATOM 0 HA GLN A 188 23.036 21.588 9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 188 20.414 20.570 10.924 1.00 0.00 H new ATOM 0 HB3 GLN A 188 20.910 22.251 10.955 1.00 0.00 H new ATOM 0 HG2 GLN A 188 20.450 20.592 8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 188 19.334 21.769 9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 188 22.320 21.272 7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 188 22.543 22.953 6.845 1.00 0.00 H new ATOM 2896 N LEU A 189 22.489 21.797 12.625 1.00 0.00 N ATOM 2897 CA LEU A 189 22.918 21.947 14.013 1.00 0.00 C ATOM 2898 C LEU A 189 24.373 22.408 14.086 1.00 0.00 C ATOM 2899 O LEU A 189 25.264 21.662 14.504 1.00 0.00 O ATOM 2900 CB LEU A 189 22.717 20.638 14.787 1.00 0.00 C ATOM 2901 CG LEU A 189 22.941 20.726 16.299 1.00 0.00 C ATOM 2902 CD1 LEU A 189 22.000 21.745 16.925 1.00 0.00 C ATOM 2903 CD2 LEU A 189 22.746 19.362 16.940 1.00 0.00 C ATOM 0 H LEU A 189 21.727 22.421 12.360 1.00 0.00 H new ATOM 0 HA LEU A 189 22.300 22.714 14.479 1.00 0.00 H new ATOM 0 HB2 LEU A 189 21.702 20.282 14.608 1.00 0.00 H new ATOM 0 HB3 LEU A 189 23.395 19.888 14.380 1.00 0.00 H new ATOM 0 HG LEU A 189 23.965 21.053 16.476 1.00 0.00 H new ATOM 0 HD11 LEU A 189 22.176 21.791 18.000 1.00 0.00 H new ATOM 0 HD12 LEU A 189 22.181 22.726 16.485 1.00 0.00 H new ATOM 0 HD13 LEU A 189 20.968 21.449 16.739 1.00 0.00 H new ATOM 0 HD21 LEU A 189 22.908 19.439 18.015 1.00 0.00 H new ATOM 0 HD22 LEU A 189 21.731 19.013 16.750 1.00 0.00 H new ATOM 0 HD23 LEU A 189 23.459 18.655 16.515 1.00 0.00 H new ATOM 2915 N GLN A 190 24.603 23.652 13.684 1.00 0.00 N ATOM 2916 CA GLN A 190 25.934 24.243 13.713 1.00 0.00 C ATOM 2917 C GLN A 190 26.248 24.794 15.098 1.00 0.00 C ATOM 2918 O GLN A 190 26.360 26.007 15.288 1.00 0.00 O ATOM 2919 CB GLN A 190 26.051 25.357 12.668 1.00 0.00 C ATOM 2920 CG GLN A 190 26.058 24.854 11.236 1.00 0.00 C ATOM 2921 CD GLN A 190 27.283 24.018 10.925 1.00 0.00 C ATOM 2922 OE1 GLN A 190 27.282 22.801 11.098 1.00 0.00 O ATOM 2923 NE2 GLN A 190 28.345 24.670 10.478 1.00 0.00 N ATOM 0 H GLN A 190 23.877 24.276 13.331 1.00 0.00 H new ATOM 0 HA GLN A 190 26.656 23.462 13.476 1.00 0.00 H new ATOM 0 HB2 GLN A 190 25.220 26.051 12.796 1.00 0.00 H new ATOM 0 HB3 GLN A 190 26.967 25.919 12.850 1.00 0.00 H new ATOM 0 HG2 GLN A 190 25.161 24.261 11.058 1.00 0.00 H new ATOM 0 HG3 GLN A 190 26.019 25.704 10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 190 28.305 25.681 10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 190 29.203 24.161 10.264 1.00 0.00 H new ATOM 2932 N ALA A 191 26.379 23.893 16.061 1.00 0.00 N ATOM 2933 CA ALA A 191 26.700 24.273 17.432 1.00 0.00 C ATOM 2934 C ALA A 191 28.182 24.594 17.570 1.00 0.00 C ATOM 2935 O ALA A 191 29.000 24.140 16.765 1.00 0.00 O ATOM 2936 CB ALA A 191 26.305 23.160 18.393 1.00 0.00 C ATOM 0 H ALA A 191 26.268 22.889 15.919 1.00 0.00 H new ATOM 0 HA ALA A 191 26.133 25.170 17.683 1.00 0.00 H new ATOM 0 HB1 ALA A 191 26.550 23.456 19.413 1.00 0.00 H new ATOM 0 HB2 ALA A 191 25.233 22.976 18.316 1.00 0.00 H new ATOM 0 HB3 ALA A 191 26.849 22.250 18.139 1.00 0.00 H new TER 2942 ALA A 191 ATOM 2943 P G B 1 -22.328 -21.640 -0.830 1.00 0.00 P ATOM 2944 OP1 G B 1 -22.459 -23.069 -0.444 1.00 0.00 O ATOM 2945 OP2 G B 1 -23.539 -20.896 -1.260 1.00 0.00 O ATOM 2946 O5' G B 1 -21.242 -21.547 -1.995 1.00 0.00 O ATOM 2947 C5' G B 1 -21.370 -20.603 -3.057 1.00 0.00 C ATOM 2948 C4' G B 1 -21.365 -19.188 -2.517 1.00 0.00 C ATOM 2949 O4' G B 1 -20.825 -19.190 -1.175 1.00 0.00 O ATOM 2950 C3' G B 1 -20.520 -18.198 -3.305 1.00 0.00 C ATOM 2951 O3' G B 1 -21.222 -16.974 -3.528 1.00 0.00 O ATOM 2952 C2' G B 1 -19.235 -17.995 -2.501 1.00 0.00 C ATOM 2953 O2' G B 1 -18.924 -16.633 -2.313 1.00 0.00 O ATOM 2954 C1' G B 1 -19.540 -18.600 -1.135 1.00 0.00 C ATOM 2955 N9 G B 1 -18.589 -19.638 -0.765 1.00 0.00 N ATOM 2956 C8 G B 1 -18.607 -20.921 -1.226 1.00 0.00 C ATOM 2957 N7 G B 1 -17.604 -21.641 -0.808 1.00 0.00 N ATOM 2958 C5 G B 1 -16.869 -20.765 -0.020 1.00 0.00 C ATOM 2959 C6 G B 1 -15.668 -20.971 0.704 1.00 0.00 C ATOM 2960 O6 G B 1 -15.000 -22.010 0.801 1.00 0.00 O ATOM 2961 N1 G B 1 -15.258 -19.819 1.370 1.00 0.00 N ATOM 2962 C2 G B 1 -15.930 -18.618 1.335 1.00 0.00 C ATOM 2963 N2 G B 1 -15.382 -17.611 2.030 1.00 0.00 N ATOM 2964 N3 G B 1 -17.054 -18.412 0.665 1.00 0.00 N ATOM 2965 C4 G B 1 -17.461 -19.521 0.012 1.00 0.00 C ATOM 0 H5' G B 1 -22.295 -20.786 -3.604 1.00 0.00 H new ATOM 0 H5'' G B 1 -20.551 -20.731 -3.765 1.00 0.00 H new ATOM 0 H4' G B 1 -22.405 -18.868 -2.577 1.00 0.00 H new ATOM 0 H3' G B 1 -20.288 -18.578 -4.300 1.00 0.00 H new ATOM 0 H2' G B 1 -18.389 -18.446 -3.021 1.00 0.00 H new ATOM 0 HO2' G B 1 -19.099 -16.140 -3.142 1.00 0.00 H new ATOM 0 H1' G B 1 -19.480 -17.796 -0.401 1.00 0.00 H new ATOM 0 H8 G B 1 -19.379 -21.305 -1.876 1.00 0.00 H new ATOM 0 H1 G B 1 -14.401 -19.868 1.921 1.00 0.00 H new ATOM 0 H21 G B 1 -15.833 -16.696 2.043 1.00 0.00 H new ATOM 0 H22 G B 1 -14.514 -17.760 2.545 1.00 0.00 H new ATOM 2977 P C B 2 -21.884 -16.133 -2.322 1.00 0.00 P ATOM 2978 OP1 C B 2 -21.724 -16.872 -1.046 1.00 0.00 O ATOM 2979 OP2 C B 2 -23.246 -15.731 -2.754 1.00 0.00 O ATOM 2980 O5' C B 2 -20.993 -14.815 -2.244 1.00 0.00 O ATOM 2981 C5' C B 2 -20.223 -14.521 -1.085 1.00 0.00 C ATOM 2982 C4' C B 2 -19.327 -13.338 -1.353 1.00 0.00 C ATOM 2983 O4' C B 2 -18.123 -13.807 -2.023 1.00 0.00 O ATOM 2984 C3' C B 2 -19.912 -12.287 -2.291 1.00 0.00 C ATOM 2985 O3' C B 2 -20.658 -11.274 -1.616 1.00 0.00 O ATOM 2986 C2' C B 2 -18.689 -11.738 -3.015 1.00 0.00 C ATOM 2987 O2' C B 2 -17.971 -10.807 -2.240 1.00 0.00 O ATOM 2988 C1' C B 2 -17.882 -13.026 -3.179 1.00 0.00 C ATOM 2989 N1 C B 2 -18.256 -13.805 -4.372 1.00 0.00 N ATOM 2990 C2 C B 2 -18.096 -13.216 -5.635 1.00 0.00 C ATOM 2991 O2 C B 2 -17.648 -12.061 -5.710 1.00 0.00 O ATOM 2992 N3 C B 2 -18.432 -13.916 -6.742 1.00 0.00 N ATOM 2993 C4 C B 2 -18.910 -15.157 -6.627 1.00 0.00 C ATOM 2994 N4 C B 2 -19.233 -15.810 -7.745 1.00 0.00 N ATOM 2995 C5 C B 2 -19.084 -15.783 -5.358 1.00 0.00 C ATOM 2996 C6 C B 2 -18.749 -15.079 -4.267 1.00 0.00 C ATOM 0 H5' C B 2 -19.623 -15.387 -0.806 1.00 0.00 H new ATOM 0 H5'' C B 2 -20.882 -14.306 -0.244 1.00 0.00 H new ATOM 0 H4' C B 2 -19.163 -12.883 -0.376 1.00 0.00 H new ATOM 0 H3' C B 2 -20.650 -12.711 -2.972 1.00 0.00 H new ATOM 0 H2' C B 2 -18.924 -11.197 -3.932 1.00 0.00 H new ATOM 0 HO2' C B 2 -17.983 -11.085 -1.300 1.00 0.00 H new ATOM 0 H1' C B 2 -16.832 -12.763 -3.305 1.00 0.00 H new ATOM 0 H41 C B 2 -19.601 -16.760 -7.693 1.00 0.00 H new ATOM 0 H42 C B 2 -19.112 -15.359 -8.652 1.00 0.00 H new ATOM 0 H5 C B 2 -19.472 -16.788 -5.278 1.00 0.00 H new ATOM 0 H6 C B 2 -18.870 -15.523 -3.290 1.00 0.00 H new ATOM 3008 P A B 3 -20.160 -10.516 -0.284 1.00 0.00 P ATOM 3009 OP1 A B 3 -18.784 -10.942 0.066 1.00 0.00 O ATOM 3010 OP2 A B 3 -21.232 -10.632 0.732 1.00 0.00 O ATOM 3011 O5' A B 3 -20.093 -8.992 -0.731 1.00 0.00 O ATOM 3012 C5' A B 3 -18.882 -8.245 -0.662 1.00 0.00 C ATOM 3013 C4' A B 3 -18.990 -7.031 -1.550 1.00 0.00 C ATOM 3014 O4' A B 3 -18.239 -7.161 -2.792 1.00 0.00 O ATOM 3015 C3' A B 3 -20.415 -6.697 -1.966 1.00 0.00 C ATOM 3016 O3' A B 3 -20.783 -5.358 -1.645 1.00 0.00 O ATOM 3017 C2' A B 3 -20.435 -7.008 -3.457 1.00 0.00 C ATOM 3018 O2' A B 3 -21.366 -6.237 -4.186 1.00 0.00 O ATOM 3019 C1' A B 3 -19.018 -6.621 -3.840 1.00 0.00 C ATOM 3020 N9 A B 3 -18.600 -7.159 -5.119 1.00 0.00 N ATOM 3021 C8 A B 3 -18.238 -8.428 -5.441 1.00 0.00 C ATOM 3022 N7 A B 3 -17.986 -8.590 -6.723 1.00 0.00 N ATOM 3023 C5 A B 3 -18.201 -7.326 -7.267 1.00 0.00 C ATOM 3024 C6 A B 3 -18.110 -6.803 -8.573 1.00 0.00 C ATOM 3025 N6 A B 3 -17.759 -7.526 -9.638 1.00 0.00 N ATOM 3026 N1 A B 3 -18.395 -5.486 -8.744 1.00 0.00 N ATOM 3027 C2 A B 3 -18.748 -4.754 -7.672 1.00 0.00 C ATOM 3028 N3 A B 3 -18.870 -5.138 -6.414 1.00 0.00 N ATOM 3029 C4 A B 3 -18.582 -6.441 -6.284 1.00 0.00 C ATOM 0 H5' A B 3 -18.042 -8.864 -0.975 1.00 0.00 H new ATOM 0 H5'' A B 3 -18.688 -7.941 0.366 1.00 0.00 H new ATOM 0 H4' A B 3 -18.581 -6.241 -0.921 1.00 0.00 H new ATOM 0 H3' A B 3 -21.163 -7.277 -1.426 1.00 0.00 H new ATOM 0 H2' A B 3 -20.728 -8.036 -3.672 1.00 0.00 H new ATOM 0 HO2' A B 3 -21.605 -5.439 -3.670 1.00 0.00 H new ATOM 0 H1' A B 3 -18.918 -5.542 -3.959 1.00 0.00 H new ATOM 0 H8 A B 3 -18.164 -9.226 -4.717 1.00 0.00 H new ATOM 0 H61 A B 3 -17.712 -7.089 -10.558 1.00 0.00 H new ATOM 0 H62 A B 3 -17.538 -8.516 -9.532 1.00 0.00 H new ATOM 0 H2 A B 3 -18.960 -3.713 -7.866 1.00 0.00 H new ATOM 3041 P C B 4 -20.822 -4.844 -0.122 1.00 0.00 P ATOM 3042 OP1 C B 4 -20.296 -5.927 0.747 1.00 0.00 O ATOM 3043 OP2 C B 4 -22.175 -4.286 0.142 1.00 0.00 O ATOM 3044 O5' C B 4 -19.770 -3.647 -0.117 1.00 0.00 O ATOM 3045 C5' C B 4 -20.106 -2.360 0.397 1.00 0.00 C ATOM 3046 C4' C B 4 -20.213 -1.353 -0.727 1.00 0.00 C ATOM 3047 O4' C B 4 -18.989 -1.295 -1.500 1.00 0.00 O ATOM 3048 C3' C B 4 -21.346 -1.591 -1.706 1.00 0.00 C ATOM 3049 O3' C B 4 -22.187 -0.440 -1.812 1.00 0.00 O ATOM 3050 C2' C B 4 -20.682 -2.033 -3.008 1.00 0.00 C ATOM 3051 O2' C B 4 -21.269 -1.421 -4.138 1.00 0.00 O ATOM 3052 C1' C B 4 -19.235 -1.562 -2.864 1.00 0.00 C ATOM 3053 N1 C B 4 -18.248 -2.570 -3.254 1.00 0.00 N ATOM 3054 C2 C B 4 -17.377 -2.308 -4.313 1.00 0.00 C ATOM 3055 O2 C B 4 -17.454 -1.228 -4.914 1.00 0.00 O ATOM 3056 N3 C B 4 -16.444 -3.226 -4.636 1.00 0.00 N ATOM 3057 C4 C B 4 -16.366 -4.363 -3.944 1.00 0.00 C ATOM 3058 N4 C B 4 -15.355 -5.172 -4.237 1.00 0.00 N ATOM 3059 C5 C B 4 -17.259 -4.664 -2.863 1.00 0.00 C ATOM 3060 C6 C B 4 -18.165 -3.739 -2.554 1.00 0.00 C ATOM 0 H5' C B 4 -19.348 -2.038 1.111 1.00 0.00 H new ATOM 0 H5'' C B 4 -21.051 -2.413 0.937 1.00 0.00 H new ATOM 0 H4' C B 4 -20.414 -0.417 -0.205 1.00 0.00 H new ATOM 0 H3' C B 4 -22.034 -2.371 -1.380 1.00 0.00 H new ATOM 0 H2' C B 4 -20.782 -3.107 -3.161 1.00 0.00 H new ATOM 0 HO2' C B 4 -21.075 -0.460 -4.128 1.00 0.00 H new ATOM 0 H1' C B 4 -19.130 -0.694 -3.515 1.00 0.00 H new ATOM 0 H41 C B 4 -15.247 -6.055 -3.738 1.00 0.00 H new ATOM 0 H42 C B 4 -14.686 -4.910 -4.961 1.00 0.00 H new ATOM 0 H5 C B 4 -17.199 -5.598 -2.324 1.00 0.00 H new ATOM 0 H6 C B 4 -18.846 -3.917 -1.735 1.00 0.00 H new ATOM 3072 P A B 5 -21.581 1.049 -1.972 1.00 0.00 P ATOM 3073 OP1 A B 5 -22.714 2.009 -1.938 1.00 0.00 O ATOM 3074 OP2 A B 5 -20.672 1.045 -3.147 1.00 0.00 O ATOM 3075 O5' A B 5 -20.694 1.303 -0.669 1.00 0.00 O ATOM 3076 C5' A B 5 -21.277 1.666 0.587 1.00 0.00 C ATOM 3077 C4' A B 5 -20.468 1.086 1.728 1.00 0.00 C ATOM 3078 O4' A B 5 -19.585 0.078 1.174 1.00 0.00 O ATOM 3079 C3' A B 5 -19.544 2.047 2.473 1.00 0.00 C ATOM 3080 O3' A B 5 -20.214 2.597 3.606 1.00 0.00 O ATOM 3081 C2' A B 5 -18.378 1.156 2.889 1.00 0.00 C ATOM 3082 O2' A B 5 -18.658 0.427 4.067 1.00 0.00 O ATOM 3083 C1' A B 5 -18.285 0.200 1.703 1.00 0.00 C ATOM 3084 N9 A B 5 -17.373 0.667 0.658 1.00 0.00 N ATOM 3085 C8 A B 5 -17.648 0.886 -0.669 1.00 0.00 C ATOM 3086 N7 A B 5 -16.621 1.323 -1.355 1.00 0.00 N ATOM 3087 C5 A B 5 -15.600 1.398 -0.417 1.00 0.00 C ATOM 3088 C6 A B 5 -14.255 1.794 -0.513 1.00 0.00 C ATOM 3089 N6 A B 5 -13.686 2.212 -1.645 1.00 0.00 N ATOM 3090 N1 A B 5 -13.507 1.753 0.612 1.00 0.00 N ATOM 3091 C2 A B 5 -14.082 1.341 1.750 1.00 0.00 C ATOM 3092 N3 A B 5 -15.334 0.944 1.964 1.00 0.00 N ATOM 3093 C4 A B 5 -16.051 0.996 0.826 1.00 0.00 C ATOM 0 H5' A B 5 -22.303 1.302 0.638 1.00 0.00 H new ATOM 0 H5'' A B 5 -21.319 2.752 0.676 1.00 0.00 H new ATOM 0 H4' A B 5 -21.216 0.737 2.440 1.00 0.00 H new ATOM 0 H3' A B 5 -19.224 2.901 1.876 1.00 0.00 H new ATOM 0 H2' A B 5 -17.470 1.718 3.107 1.00 0.00 H new ATOM 0 HO2' A B 5 -18.094 -0.374 4.098 1.00 0.00 H new ATOM 0 H1' A B 5 -17.885 -0.753 2.050 1.00 0.00 H new ATOM 0 H8 A B 5 -18.620 0.714 -1.107 1.00 0.00 H new ATOM 0 H61 A B 5 -12.704 2.487 -1.651 1.00 0.00 H new ATOM 0 H62 A B 5 -14.233 2.257 -2.505 1.00 0.00 H new ATOM 0 H2 A B 5 -13.438 1.329 2.617 1.00 0.00 H new ATOM 3105 P C B 6 -19.426 3.391 4.766 1.00 0.00 P ATOM 3106 OP1 C B 6 -19.587 2.633 6.034 1.00 0.00 O ATOM 3107 OP2 C B 6 -19.876 4.807 4.707 1.00 0.00 O ATOM 3108 O5' C B 6 -17.887 3.359 4.352 1.00 0.00 O ATOM 3109 C5' C B 6 -16.900 2.787 5.213 1.00 0.00 C ATOM 3110 C4' C B 6 -15.631 3.605 5.166 1.00 0.00 C ATOM 3111 O4' C B 6 -14.912 3.259 3.955 1.00 0.00 O ATOM 3112 C3' C B 6 -15.837 5.116 5.116 1.00 0.00 C ATOM 3113 O3' C B 6 -15.707 5.683 6.415 1.00 0.00 O ATOM 3114 C2' C B 6 -14.750 5.628 4.177 1.00 0.00 C ATOM 3115 O2' C B 6 -13.574 5.976 4.881 1.00 0.00 O ATOM 3116 C1' C B 6 -14.457 4.419 3.288 1.00 0.00 C ATOM 3117 N1 C B 6 -15.100 4.484 1.965 1.00 0.00 N ATOM 3118 C2 C B 6 -14.411 5.085 0.905 1.00 0.00 C ATOM 3119 O2 C B 6 -13.292 5.579 1.116 1.00 0.00 O ATOM 3120 N3 C B 6 -14.980 5.111 -0.322 1.00 0.00 N ATOM 3121 C4 C B 6 -16.184 4.566 -0.512 1.00 0.00 C ATOM 3122 N4 C B 6 -16.705 4.615 -1.739 1.00 0.00 N ATOM 3123 C5 C B 6 -16.906 3.946 0.550 1.00 0.00 C ATOM 3124 C6 C B 6 -16.334 3.935 1.759 1.00 0.00 C ATOM 0 H5' C B 6 -16.692 1.761 4.909 1.00 0.00 H new ATOM 0 H5'' C B 6 -17.278 2.746 6.235 1.00 0.00 H new ATOM 0 H4' C B 6 -15.102 3.373 6.090 1.00 0.00 H new ATOM 0 H3' C B 6 -16.833 5.388 4.766 1.00 0.00 H new ATOM 0 H2' C B 6 -15.065 6.521 3.637 1.00 0.00 H new ATOM 0 HO2' C B 6 -13.742 6.774 5.425 1.00 0.00 H new ATOM 0 H1' C B 6 -13.381 4.403 3.113 1.00 0.00 H new ATOM 0 H41 C B 6 -17.623 4.208 -1.920 1.00 0.00 H new ATOM 0 H42 C B 6 -16.186 5.059 -2.496 1.00 0.00 H new ATOM 0 H5 C B 6 -17.877 3.503 0.385 1.00 0.00 H new ATOM 0 H6 C B 6 -16.858 3.483 2.588 1.00 0.00 H new ATOM 3136 P C B 7 -15.955 7.257 6.627 1.00 0.00 P ATOM 3137 OP1 C B 7 -14.665 7.963 6.422 1.00 0.00 O ATOM 3138 OP2 C B 7 -16.691 7.421 7.907 1.00 0.00 O ATOM 3139 O5' C B 7 -16.942 7.662 5.443 1.00 0.00 O ATOM 3140 C5' C B 7 -17.184 9.031 5.124 1.00 0.00 C ATOM 3141 C4' C B 7 -16.152 9.520 4.136 1.00 0.00 C ATOM 3142 O4' C B 7 -15.931 8.487 3.140 1.00 0.00 O ATOM 3143 C3' C B 7 -16.536 10.773 3.357 1.00 0.00 C ATOM 3144 O3' C B 7 -15.405 11.607 3.133 1.00 0.00 O ATOM 3145 C2' C B 7 -17.118 10.248 2.047 1.00 0.00 C ATOM 3146 O2' C B 7 -16.761 11.069 0.952 1.00 0.00 O ATOM 3147 C1' C B 7 -16.437 8.888 1.882 1.00 0.00 C ATOM 3148 N1 C B 7 -17.358 7.850 1.391 1.00 0.00 N ATOM 3149 C2 C B 7 -17.484 7.654 0.010 1.00 0.00 C ATOM 3150 O2 C B 7 -16.777 8.321 -0.763 1.00 0.00 O ATOM 3151 N3 C B 7 -18.364 6.733 -0.448 1.00 0.00 N ATOM 3152 C4 C B 7 -19.096 6.022 0.412 1.00 0.00 C ATOM 3153 N4 C B 7 -19.949 5.123 -0.086 1.00 0.00 N ATOM 3154 C5 C B 7 -18.986 6.199 1.823 1.00 0.00 C ATOM 3155 C6 C B 7 -18.111 7.114 2.262 1.00 0.00 C ATOM 0 H5' C B 7 -17.148 9.636 6.030 1.00 0.00 H new ATOM 0 H5'' C B 7 -18.184 9.144 4.705 1.00 0.00 H new ATOM 0 H4' C B 7 -15.278 9.758 4.742 1.00 0.00 H new ATOM 0 H3' C B 7 -17.249 11.395 3.898 1.00 0.00 H new ATOM 0 H2' C B 7 -18.207 10.212 2.071 1.00 0.00 H new ATOM 0 HO2' C B 7 -16.761 12.008 1.233 1.00 0.00 H new ATOM 0 H1' C B 7 -15.643 8.999 1.143 1.00 0.00 H new ATOM 0 H41 C B 7 -20.524 4.562 0.543 1.00 0.00 H new ATOM 0 H42 C B 7 -20.026 4.997 -1.095 1.00 0.00 H new ATOM 0 H5 C B 7 -19.584 5.619 2.510 1.00 0.00 H new ATOM 0 H6 C B 7 -17.999 7.273 3.324 1.00 0.00 H new ATOM 3167 P C B 8 -15.559 13.201 3.267 1.00 0.00 P ATOM 3168 OP1 C B 8 -14.287 13.811 2.806 1.00 0.00 O ATOM 3169 OP2 C B 8 -16.071 13.510 4.627 1.00 0.00 O ATOM 3170 O5' C B 8 -16.694 13.564 2.208 1.00 0.00 O ATOM 3171 C5' C B 8 -17.978 14.021 2.629 1.00 0.00 C ATOM 3172 C4' C B 8 -18.873 14.217 1.427 1.00 0.00 C ATOM 3173 O4' C B 8 -19.523 12.953 1.121 1.00 0.00 O ATOM 3174 C3' C B 8 -20.012 15.217 1.608 1.00 0.00 C ATOM 3175 O3' C B 8 -20.349 15.856 0.377 1.00 0.00 O ATOM 3176 C2' C B 8 -21.159 14.350 2.112 1.00 0.00 C ATOM 3177 O2' C B 8 -22.420 14.889 1.762 1.00 0.00 O ATOM 3178 C1' C B 8 -20.921 13.070 1.310 1.00 0.00 C ATOM 3179 N1 C B 8 -21.417 11.860 1.982 1.00 0.00 N ATOM 3180 C2 C B 8 -22.729 11.440 1.730 1.00 0.00 C ATOM 3181 O2 C B 8 -23.432 12.100 0.949 1.00 0.00 O ATOM 3182 N3 C B 8 -23.197 10.331 2.343 1.00 0.00 N ATOM 3183 C4 C B 8 -22.411 9.646 3.176 1.00 0.00 C ATOM 3184 N4 C B 8 -22.916 8.553 3.750 1.00 0.00 N ATOM 3185 C5 C B 8 -21.072 10.049 3.453 1.00 0.00 C ATOM 3186 C6 C B 8 -20.620 11.151 2.839 1.00 0.00 C ATOM 0 H5' C B 8 -17.879 14.958 3.176 1.00 0.00 H new ATOM 0 H5'' C B 8 -18.425 13.299 3.312 1.00 0.00 H new ATOM 0 H4' C B 8 -18.209 14.597 0.650 1.00 0.00 H new ATOM 0 H3' C B 8 -19.758 16.030 2.289 1.00 0.00 H new ATOM 0 H2' C B 8 -21.176 14.239 3.196 1.00 0.00 H new ATOM 0 HO2' C B 8 -23.004 14.172 1.438 1.00 0.00 H new ATOM 0 HO3' C B 8 -21.324 15.926 0.301 1.00 0.00 H new ATOM 0 H1' C B 8 -21.469 13.146 0.371 1.00 0.00 H new ATOM 0 H41 C B 8 -22.345 8.004 4.392 1.00 0.00 H new ATOM 0 H42 C B 8 -23.873 8.266 3.547 1.00 0.00 H new ATOM 0 H5 C B 8 -20.446 9.488 4.131 1.00 0.00 H new ATOM 0 H6 C B 8 -19.610 11.485 3.024 1.00 0.00 H new TER 3199 C B 8