USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 897 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 93 ASN : amide:sc= -2.28! C(o=-1!,f=-5.6!) USER MOD Set 1.2: A 95 THR OG1 : rot 100:sc= 1.24 USER MOD Set 2.1: A 59 MET CE :methyl -158:sc= -0.46 (180deg=-1.3!) USER MOD Set 2.2: A 88 MET CE :methyl 172:sc= -1.8 (180deg=-2.13) USER MOD Set 3.1: A 51 THR OG1 : rot 107:sc= 0.0825 USER MOD Set 3.2: A 97 MET CE :methyl 139:sc= -4.68! (180deg=-6.09!) USER MOD Set 4.1: A 13 SER OG : rot 95:sc= 1.13 USER MOD Set 4.2: A 32 THR OG1 : rot 83:sc= 1.21 USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 33:sc= 0.115 USER MOD Single : A 3 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-1.9) USER MOD Single : A 4 SER OG : rot -64:sc= 0.0518! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0469 K(o=-0.047,f=-1.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.355 USER MOD Single : A 36 LYS NZ :NH3+ -138:sc= -2.03! (180deg=-3.66!) USER MOD Single : A 38 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-5.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -104:sc= -0.0248 (180deg=-2.82!) USER MOD Single : A 49 GLN : amide:sc= -0.058 K(o=-0.058,f=-2.3) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 39:sc= -0.932 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 165:sc= -1.06 (180deg=-2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -30:sc= 0.0526 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= -1.06 (180deg=-1.11) USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= -0.351 (180deg=-1.21!) USER MOD Single : A 75 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.014) USER MOD Single : A 78 ASN : amide:sc= -2.23 K(o=-2.2,f=-7.1!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 45:sc= 0.156 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 99 ASN : amide:sc= -0.773 X(o=-0.77,f=-0.74) USER MOD Single : A 101 LYS NZ :NH3+ -111:sc= -2.22 (180deg=-4.08!) USER MOD Single : A 102 MET CE :methyl -166:sc= -0.299 (180deg=-0.809) USER MOD Single : A 103 THR OG1 : rot -160:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 130:sc=0.000284 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -11.591 -4.464 11.429 1.00 0.00 N ATOM 18 CA SER A 2 -10.278 -4.165 11.987 1.00 0.00 C ATOM 19 C SER A 2 -9.253 -5.214 11.567 1.00 0.00 C ATOM 20 O SER A 2 -9.439 -6.407 11.807 1.00 0.00 O ATOM 21 CB SER A 2 -10.356 -4.094 13.513 1.00 0.00 C ATOM 22 OG SER A 2 -11.355 -3.181 13.932 1.00 0.00 O ATOM 0 HA SER A 2 -9.958 -3.198 11.599 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.572 -5.084 13.915 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.390 -3.790 13.916 1.00 0.00 H new ATOM 0 HG SER A 2 -12.092 -3.184 13.286 1.00 0.00 H new ATOM 28 N HIS A 3 -8.172 -4.761 10.942 1.00 0.00 N ATOM 29 CA HIS A 3 -7.114 -5.657 10.491 1.00 0.00 C ATOM 30 C HIS A 3 -7.615 -6.609 9.415 1.00 0.00 C ATOM 31 O HIS A 3 -7.111 -7.722 9.263 1.00 0.00 O ATOM 32 CB HIS A 3 -6.549 -6.439 11.675 1.00 0.00 C ATOM 33 CG HIS A 3 -6.067 -5.552 12.777 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.913 -4.951 13.682 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.818 -5.149 13.105 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.209 -4.215 14.519 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.932 -4.318 14.192 1.00 0.00 N ATOM 0 H HIS A 3 -8.005 -3.776 10.736 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.320 -5.051 10.054 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.317 -7.108 12.063 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.725 -7.065 11.332 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.902 -5.429 12.605 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.607 -3.628 15.333 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.158 -3.856 14.669 1.00 0.00 H new ATOM 46 N SER A 4 -8.601 -6.147 8.662 1.00 0.00 N ATOM 47 CA SER A 4 -9.181 -6.925 7.573 1.00 0.00 C ATOM 48 C SER A 4 -10.162 -6.079 6.776 1.00 0.00 C ATOM 49 O SER A 4 -10.929 -5.299 7.341 1.00 0.00 O ATOM 50 CB SER A 4 -9.893 -8.182 8.086 1.00 0.00 C ATOM 51 OG SER A 4 -9.415 -8.570 9.361 1.00 0.00 O ATOM 0 H SER A 4 -9.022 -5.226 8.786 1.00 0.00 H new ATOM 0 HA SER A 4 -8.359 -7.237 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.966 -7.996 8.140 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.746 -8.998 7.378 1.00 0.00 H new ATOM 0 HG SER A 4 -8.469 -8.818 9.294 1.00 0.00 H new ATOM 57 N GLY A 5 -10.136 -6.241 5.462 1.00 0.00 N ATOM 58 CA GLY A 5 -11.029 -5.489 4.608 1.00 0.00 C ATOM 59 C GLY A 5 -10.987 -5.962 3.179 1.00 0.00 C ATOM 60 O GLY A 5 -9.947 -5.903 2.524 1.00 0.00 O ATOM 0 H GLY A 5 -9.511 -6.881 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.048 -5.574 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.762 -4.433 4.647 1.00 0.00 H new ATOM 64 N ALA A 6 -12.126 -6.437 2.695 1.00 0.00 N ATOM 65 CA ALA A 6 -12.228 -6.932 1.333 1.00 0.00 C ATOM 66 C ALA A 6 -11.606 -5.952 0.341 1.00 0.00 C ATOM 67 O ALA A 6 -12.210 -4.944 -0.022 1.00 0.00 O ATOM 68 CB ALA A 6 -13.675 -7.223 0.994 1.00 0.00 C ATOM 0 H ALA A 6 -12.994 -6.489 3.229 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.665 -7.863 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.742 -7.594 -0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.065 -7.976 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.262 -6.309 1.088 1.00 0.00 H new ATOM 74 N ALA A 7 -10.379 -6.259 -0.071 1.00 0.00 N ATOM 75 CA ALA A 7 -9.641 -5.408 -1.003 1.00 0.00 C ATOM 76 C ALA A 7 -9.394 -6.106 -2.339 1.00 0.00 C ATOM 77 O ALA A 7 -9.296 -7.329 -2.402 1.00 0.00 O ATOM 78 CB ALA A 7 -8.312 -4.998 -0.382 1.00 0.00 C ATOM 0 H ALA A 7 -9.873 -7.093 0.226 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.249 -4.524 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.765 -4.364 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.496 -4.448 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.723 -5.888 -0.162 1.00 0.00 H new ATOM 84 N ILE A 8 -9.273 -5.319 -3.405 1.00 0.00 N ATOM 85 CA ILE A 8 -9.014 -5.867 -4.731 1.00 0.00 C ATOM 86 C ILE A 8 -7.544 -5.727 -5.084 1.00 0.00 C ATOM 87 O ILE A 8 -6.992 -4.627 -5.072 1.00 0.00 O ATOM 88 CB ILE A 8 -9.883 -5.191 -5.821 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.232 -5.899 -5.917 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.192 -5.189 -7.181 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.393 -5.027 -5.530 1.00 0.00 C ATOM 0 H ILE A 8 -9.350 -4.302 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.282 -6.923 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.034 -4.151 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.377 -6.252 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.218 -6.779 -5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.836 -4.706 -7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.250 -4.644 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.995 -6.215 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.320 -5.593 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.271 -4.695 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.432 -4.159 -6.189 1.00 0.00 H new ATOM 103 N PHE A 9 -6.919 -6.848 -5.400 1.00 0.00 N ATOM 104 CA PHE A 9 -5.504 -6.843 -5.760 1.00 0.00 C ATOM 105 C PHE A 9 -5.310 -7.175 -7.235 1.00 0.00 C ATOM 106 O PHE A 9 -5.870 -8.144 -7.741 1.00 0.00 O ATOM 107 CB PHE A 9 -4.722 -7.834 -4.899 1.00 0.00 C ATOM 108 CG PHE A 9 -3.236 -7.631 -4.960 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.683 -6.391 -4.681 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.392 -8.676 -5.300 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.316 -6.197 -4.739 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.024 -8.489 -5.359 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.486 -7.246 -5.078 1.00 0.00 C ATOM 0 H PHE A 9 -7.360 -7.767 -5.416 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.123 -5.838 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.052 -7.744 -3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.957 -8.848 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.328 -5.567 -4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.808 -9.648 -5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.898 -5.226 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.376 -9.312 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.583 -7.097 -5.124 1.00 0.00 H new ATOM 123 N GLU A 10 -4.512 -6.359 -7.919 1.00 0.00 N ATOM 124 CA GLU A 10 -4.244 -6.567 -9.339 1.00 0.00 C ATOM 125 C GLU A 10 -5.540 -6.638 -10.132 1.00 0.00 C ATOM 126 O GLU A 10 -5.643 -7.395 -11.098 1.00 0.00 O ATOM 127 CB GLU A 10 -3.437 -7.851 -9.540 1.00 0.00 C ATOM 128 CG GLU A 10 -2.168 -7.904 -8.708 1.00 0.00 C ATOM 129 CD GLU A 10 -1.352 -9.155 -8.970 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.732 -10.229 -8.457 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.332 -9.061 -9.684 1.00 0.00 O ATOM 0 H GLU A 10 -4.041 -5.550 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.664 -5.719 -9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.063 -8.707 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.175 -7.945 -10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.559 -7.026 -8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.429 -7.859 -7.651 1.00 0.00 H new ATOM 138 N LYS A 11 -6.533 -5.857 -9.711 1.00 0.00 N ATOM 139 CA LYS A 11 -7.832 -5.847 -10.376 1.00 0.00 C ATOM 140 C LYS A 11 -8.628 -7.094 -10.004 1.00 0.00 C ATOM 141 O LYS A 11 -9.751 -7.286 -10.471 1.00 0.00 O ATOM 142 CB LYS A 11 -7.672 -5.758 -11.898 1.00 0.00 C ATOM 143 CG LYS A 11 -6.668 -4.708 -12.344 1.00 0.00 C ATOM 144 CD LYS A 11 -6.651 -4.562 -13.857 1.00 0.00 C ATOM 145 CE LYS A 11 -5.548 -3.622 -14.315 1.00 0.00 C ATOM 146 NZ LYS A 11 -6.048 -2.234 -14.515 1.00 0.00 N ATOM 0 H LYS A 11 -6.462 -5.224 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.376 -4.965 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.362 -6.731 -12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.641 -5.535 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.915 -3.750 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.673 -4.982 -11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.510 -5.540 -14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.616 -4.186 -14.198 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.746 -3.616 -13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.120 -3.991 -15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.265 -1.625 -14.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.795 -2.235 -15.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.433 -1.871 -13.620 1.00 0.00 H new ATOM 160 N VAL A 12 -8.048 -7.929 -9.143 1.00 0.00 N ATOM 161 CA VAL A 12 -8.710 -9.135 -8.691 1.00 0.00 C ATOM 162 C VAL A 12 -9.307 -8.902 -7.327 1.00 0.00 C ATOM 163 O VAL A 12 -8.859 -8.037 -6.578 1.00 0.00 O ATOM 164 CB VAL A 12 -7.753 -10.342 -8.648 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.365 -11.505 -7.873 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.422 -10.765 -10.058 1.00 0.00 C ATOM 0 H VAL A 12 -7.119 -7.785 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.497 -9.371 -9.407 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.840 -10.047 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.666 -12.341 -7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.574 -11.191 -6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.293 -11.815 -8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.745 -11.619 -10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.338 -11.044 -10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.943 -9.938 -10.583 1.00 0.00 H new ATOM 176 N SER A 13 -10.332 -9.657 -7.011 1.00 0.00 N ATOM 177 CA SER A 13 -10.998 -9.492 -5.733 1.00 0.00 C ATOM 178 C SER A 13 -10.515 -10.483 -4.685 1.00 0.00 C ATOM 179 O SER A 13 -10.111 -11.603 -4.993 1.00 0.00 O ATOM 180 CB SER A 13 -12.504 -9.599 -5.903 1.00 0.00 C ATOM 181 OG SER A 13 -12.882 -10.887 -6.358 1.00 0.00 O ATOM 0 H SER A 13 -10.722 -10.384 -7.610 1.00 0.00 H new ATOM 0 HA SER A 13 -10.742 -8.496 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.995 -9.388 -4.953 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.846 -8.846 -6.613 1.00 0.00 H new ATOM 0 HG SER A 13 -13.130 -11.445 -5.591 1.00 0.00 H new ATOM 187 N GLY A 14 -10.566 -10.033 -3.439 1.00 0.00 N ATOM 188 CA GLY A 14 -10.145 -10.835 -2.311 1.00 0.00 C ATOM 189 C GLY A 14 -10.187 -10.016 -1.043 1.00 0.00 C ATOM 190 O GLY A 14 -10.543 -8.838 -1.083 1.00 0.00 O ATOM 0 H GLY A 14 -10.901 -9.103 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.794 -11.705 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.135 -11.208 -2.478 1.00 0.00 H new ATOM 194 N ILE A 15 -9.826 -10.606 0.085 1.00 0.00 N ATOM 195 CA ILE A 15 -9.835 -9.862 1.332 1.00 0.00 C ATOM 196 C ILE A 15 -8.422 -9.554 1.778 1.00 0.00 C ATOM 197 O ILE A 15 -7.514 -10.373 1.638 1.00 0.00 O ATOM 198 CB ILE A 15 -10.598 -10.591 2.472 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.104 -10.702 2.167 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.407 -9.853 3.796 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.502 -10.375 0.742 1.00 0.00 C ATOM 0 H ILE A 15 -9.529 -11.579 0.163 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.370 -8.934 1.130 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.185 -11.597 2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.430 -11.717 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.644 -10.036 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.947 -10.376 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.346 -9.819 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.791 -8.837 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.581 -10.483 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.215 -9.349 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.997 -11.057 0.058 1.00 0.00 H new ATOM 213 N ILE A 16 -8.250 -8.365 2.325 1.00 0.00 N ATOM 214 CA ILE A 16 -6.958 -7.934 2.808 1.00 0.00 C ATOM 215 C ILE A 16 -6.975 -7.956 4.325 1.00 0.00 C ATOM 216 O ILE A 16 -7.771 -7.265 4.957 1.00 0.00 O ATOM 217 CB ILE A 16 -6.617 -6.512 2.285 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.458 -6.563 1.290 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.290 -5.551 3.416 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.129 -5.216 0.688 1.00 0.00 C ATOM 0 H ILE A 16 -8.996 -7.679 2.445 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.188 -8.611 2.439 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.506 -6.138 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.574 -6.955 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.705 -7.261 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.058 -4.569 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.147 -5.470 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.430 -5.923 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.298 -5.322 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.000 -4.832 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.851 -4.521 1.481 1.00 0.00 H new ATOM 232 N ALA A 17 -6.113 -8.772 4.904 1.00 0.00 N ATOM 233 CA ALA A 17 -6.055 -8.900 6.350 1.00 0.00 C ATOM 234 C ALA A 17 -4.678 -8.528 6.881 1.00 0.00 C ATOM 235 O ALA A 17 -3.654 -8.981 6.371 1.00 0.00 O ATOM 236 CB ALA A 17 -6.447 -10.311 6.759 1.00 0.00 C ATOM 0 H ALA A 17 -5.446 -9.354 4.398 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.766 -8.202 6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.402 -10.401 7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.462 -10.520 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.759 -11.025 6.307 1.00 0.00 H new ATOM 242 N ILE A 18 -4.671 -7.681 7.902 1.00 0.00 N ATOM 243 CA ILE A 18 -3.435 -7.214 8.508 1.00 0.00 C ATOM 244 C ILE A 18 -3.168 -7.922 9.833 1.00 0.00 C ATOM 245 O ILE A 18 -4.082 -8.161 10.619 1.00 0.00 O ATOM 246 CB ILE A 18 -3.494 -5.685 8.721 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.491 -4.975 7.366 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.341 -5.201 9.589 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.642 -3.473 7.464 1.00 0.00 C ATOM 0 H ILE A 18 -5.516 -7.302 8.329 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.614 -7.449 7.830 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.418 -5.444 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.560 -5.204 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.301 -5.373 6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.412 -4.121 9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.389 -5.688 10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.395 -5.447 9.107 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.631 -3.040 6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.586 -3.233 7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.818 -3.062 8.046 1.00 0.00 H new ATOM 261 N ASN A 19 -1.904 -8.258 10.074 1.00 0.00 N ATOM 262 CA ASN A 19 -1.517 -8.941 11.303 1.00 0.00 C ATOM 263 C ASN A 19 -0.313 -8.262 11.946 1.00 0.00 C ATOM 264 O ASN A 19 0.796 -8.308 11.411 1.00 0.00 O ATOM 265 CB ASN A 19 -1.198 -10.408 11.016 1.00 0.00 C ATOM 266 CG ASN A 19 -1.244 -11.265 12.267 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.822 -10.873 13.280 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.634 -12.442 12.199 1.00 0.00 N ATOM 0 H ASN A 19 -1.132 -8.069 9.435 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.355 -8.888 11.999 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.909 -10.796 10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.208 -10.480 10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.632 -13.063 13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.167 -12.725 11.338 1.00 0.00 H new ATOM 275 N GLU A 20 -0.537 -7.636 13.096 1.00 0.00 N ATOM 276 CA GLU A 20 0.533 -6.950 13.812 1.00 0.00 C ATOM 277 C GLU A 20 1.223 -7.886 14.805 1.00 0.00 C ATOM 278 O GLU A 20 2.083 -7.457 15.575 1.00 0.00 O ATOM 279 CB GLU A 20 -0.017 -5.725 14.545 1.00 0.00 C ATOM 280 CG GLU A 20 -0.648 -4.697 13.621 1.00 0.00 C ATOM 281 CD GLU A 20 -1.125 -3.461 14.361 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.155 -3.489 15.610 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.469 -2.465 13.691 1.00 0.00 O ATOM 0 H GLU A 20 -1.448 -7.589 13.552 1.00 0.00 H new ATOM 0 HA GLU A 20 1.271 -6.626 13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.759 -6.051 15.274 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.791 -5.252 15.103 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.076 -4.404 12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.491 -5.151 13.100 1.00 0.00 H new ATOM 290 N ASP A 21 0.854 -9.161 14.773 1.00 0.00 N ATOM 291 CA ASP A 21 1.450 -10.150 15.659 1.00 0.00 C ATOM 292 C ASP A 21 2.812 -10.586 15.131 1.00 0.00 C ATOM 293 O ASP A 21 3.622 -11.155 15.864 1.00 0.00 O ATOM 294 CB ASP A 21 0.532 -11.365 15.789 1.00 0.00 C ATOM 295 CG ASP A 21 0.998 -12.331 16.860 1.00 0.00 C ATOM 296 OD1 ASP A 21 0.672 -12.108 18.044 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.689 -13.313 16.513 1.00 0.00 O ATOM 0 H ASP A 21 0.144 -9.533 14.142 1.00 0.00 H new ATOM 0 HA ASP A 21 1.582 -9.697 16.641 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.479 -11.030 16.021 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.484 -11.884 14.832 1.00 0.00 H new ATOM 302 N VAL A 22 3.055 -10.318 13.851 1.00 0.00 N ATOM 303 CA VAL A 22 4.312 -10.679 13.219 1.00 0.00 C ATOM 304 C VAL A 22 5.243 -9.477 13.124 1.00 0.00 C ATOM 305 O VAL A 22 4.798 -8.352 12.890 1.00 0.00 O ATOM 306 CB VAL A 22 4.092 -11.256 11.803 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.079 -12.776 11.841 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.811 -10.721 11.177 1.00 0.00 C ATOM 0 H VAL A 22 2.393 -9.850 13.232 1.00 0.00 H new ATOM 0 HA VAL A 22 4.769 -11.444 13.846 1.00 0.00 H new ATOM 0 HB VAL A 22 4.925 -10.932 11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.923 -13.164 10.834 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.032 -13.139 12.226 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.273 -13.117 12.490 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.687 -11.147 10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.959 -10.997 11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.869 -9.635 11.102 1.00 0.00 H new ATOM 318 N SER A 23 6.537 -9.718 13.307 1.00 0.00 N ATOM 319 CA SER A 23 7.528 -8.651 13.240 1.00 0.00 C ATOM 320 C SER A 23 8.481 -8.870 12.062 1.00 0.00 C ATOM 321 O SER A 23 9.215 -9.858 12.029 1.00 0.00 O ATOM 322 CB SER A 23 8.318 -8.581 14.549 1.00 0.00 C ATOM 323 OG SER A 23 9.575 -7.953 14.358 1.00 0.00 O ATOM 0 H SER A 23 6.923 -10.642 13.503 1.00 0.00 H new ATOM 0 HA SER A 23 7.005 -7.706 13.090 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.743 -8.031 15.294 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.467 -9.587 14.941 1.00 0.00 H new ATOM 0 HG SER A 23 10.057 -7.921 15.210 1.00 0.00 H new ATOM 329 N PRO A 24 8.486 -7.953 11.074 1.00 0.00 N ATOM 330 CA PRO A 24 7.635 -6.764 11.063 1.00 0.00 C ATOM 331 C PRO A 24 6.222 -7.079 10.587 1.00 0.00 C ATOM 332 O PRO A 24 6.029 -7.903 9.694 1.00 0.00 O ATOM 333 CB PRO A 24 8.335 -5.816 10.075 1.00 0.00 C ATOM 334 CG PRO A 24 9.518 -6.558 9.533 1.00 0.00 C ATOM 335 CD PRO A 24 9.330 -8.008 9.880 1.00 0.00 C ATOM 0 HA PRO A 24 7.519 -6.339 12.060 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.658 -5.526 9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.648 -4.899 10.574 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.593 -6.427 8.453 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.443 -6.176 9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.849 -8.558 9.071 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.281 -8.502 10.080 1.00 0.00 H new ATOM 343 N ALA A 25 5.233 -6.418 11.188 1.00 0.00 N ATOM 344 CA ALA A 25 3.834 -6.632 10.819 1.00 0.00 C ATOM 345 C ALA A 25 3.660 -6.627 9.303 1.00 0.00 C ATOM 346 O ALA A 25 4.319 -5.864 8.597 1.00 0.00 O ATOM 347 CB ALA A 25 2.951 -5.569 11.457 1.00 0.00 C ATOM 0 H ALA A 25 5.374 -5.732 11.930 1.00 0.00 H new ATOM 0 HA ALA A 25 3.531 -7.611 11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.913 -5.741 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.045 -5.621 12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.263 -4.583 11.113 1.00 0.00 H new ATOM 353 N GLU A 26 2.781 -7.491 8.807 1.00 0.00 N ATOM 354 CA GLU A 26 2.541 -7.587 7.372 1.00 0.00 C ATOM 355 C GLU A 26 1.051 -7.670 7.057 1.00 0.00 C ATOM 356 O GLU A 26 0.225 -7.892 7.940 1.00 0.00 O ATOM 357 CB GLU A 26 3.259 -8.811 6.798 1.00 0.00 C ATOM 358 CG GLU A 26 4.727 -8.892 7.185 1.00 0.00 C ATOM 359 CD GLU A 26 5.464 -9.995 6.450 1.00 0.00 C ATOM 360 OE1 GLU A 26 5.298 -11.173 6.829 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.204 -9.680 5.496 1.00 0.00 O ATOM 0 H GLU A 26 2.226 -8.132 9.374 1.00 0.00 H new ATOM 0 HA GLU A 26 2.935 -6.682 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.751 -9.713 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.179 -8.792 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.208 -7.936 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.807 -9.060 8.259 1.00 0.00 H new ATOM 368 N LEU A 27 0.724 -7.496 5.780 1.00 0.00 N ATOM 369 CA LEU A 27 -0.656 -7.554 5.314 1.00 0.00 C ATOM 370 C LEU A 27 -0.801 -8.650 4.263 1.00 0.00 C ATOM 371 O LEU A 27 -0.004 -8.731 3.329 1.00 0.00 O ATOM 372 CB LEU A 27 -1.072 -6.200 4.735 1.00 0.00 C ATOM 373 CG LEU A 27 -2.409 -6.188 3.988 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.025 -4.797 4.019 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.221 -6.659 2.553 1.00 0.00 C ATOM 0 H LEU A 27 1.405 -7.312 5.043 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.309 -7.786 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.123 -5.476 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.292 -5.860 4.054 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.091 -6.876 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.974 -4.807 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.195 -4.497 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.348 -4.088 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.181 -6.644 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.523 -5.996 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.824 -7.674 2.552 1.00 0.00 H new ATOM 387 N THR A 28 -1.807 -9.502 4.427 1.00 0.00 N ATOM 388 CA THR A 28 -2.025 -10.600 3.492 1.00 0.00 C ATOM 389 C THR A 28 -3.370 -10.489 2.781 1.00 0.00 C ATOM 390 O THR A 28 -4.420 -10.392 3.415 1.00 0.00 O ATOM 391 CB THR A 28 -1.939 -11.939 4.226 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.709 -12.051 4.919 1.00 0.00 O ATOM 393 CG2 THR A 28 -2.058 -13.134 3.306 1.00 0.00 C ATOM 0 H THR A 28 -2.480 -9.455 5.192 1.00 0.00 H new ATOM 0 HA THR A 28 -1.243 -10.542 2.735 1.00 0.00 H new ATOM 0 HB THR A 28 -2.783 -11.946 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.673 -12.913 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.989 -14.051 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.018 -13.103 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.252 -13.110 2.572 1.00 0.00 H new ATOM 401 N TRP A 29 -3.321 -10.522 1.452 1.00 0.00 N ATOM 402 CA TRP A 29 -4.510 -10.448 0.627 1.00 0.00 C ATOM 403 C TRP A 29 -4.899 -11.840 0.144 1.00 0.00 C ATOM 404 O TRP A 29 -4.068 -12.571 -0.395 1.00 0.00 O ATOM 405 CB TRP A 29 -4.249 -9.541 -0.574 1.00 0.00 C ATOM 406 CG TRP A 29 -5.394 -9.490 -1.530 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.591 -8.885 -1.320 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.458 -10.075 -2.833 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.401 -9.041 -2.417 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.728 -9.774 -3.363 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.566 -10.822 -3.606 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.125 -10.194 -4.628 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.961 -11.238 -4.862 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.229 -10.923 -5.363 1.00 0.00 C ATOM 0 H TRP A 29 -2.453 -10.601 0.922 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.327 -10.037 1.220 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.034 -8.533 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.360 -9.891 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.866 -8.357 -0.419 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.347 -8.673 -2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.585 -11.070 -3.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.104 -9.954 -5.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.280 -11.816 -5.468 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.507 -11.262 -6.350 1.00 0.00 H new ATOM 425 N ARG A 30 -6.159 -12.203 0.337 1.00 0.00 N ATOM 426 CA ARG A 30 -6.642 -13.513 -0.086 1.00 0.00 C ATOM 427 C ARG A 30 -7.836 -13.376 -1.022 1.00 0.00 C ATOM 428 O ARG A 30 -8.882 -12.861 -0.634 1.00 0.00 O ATOM 429 CB ARG A 30 -7.021 -14.358 1.130 1.00 0.00 C ATOM 430 CG ARG A 30 -7.491 -15.759 0.774 1.00 0.00 C ATOM 431 CD ARG A 30 -7.260 -16.733 1.918 1.00 0.00 C ATOM 432 NE ARG A 30 -7.881 -18.031 1.666 1.00 0.00 N ATOM 433 CZ ARG A 30 -7.426 -18.911 0.777 1.00 0.00 C ATOM 434 NH1 ARG A 30 -6.349 -18.636 0.051 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.051 -20.068 0.612 1.00 0.00 N ATOM 0 H ARG A 30 -6.863 -11.614 0.781 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.838 -14.012 -0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.160 -14.430 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.810 -13.849 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.552 -15.735 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.962 -16.107 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.189 -16.867 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.662 -16.312 2.839 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.712 -18.278 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.865 -17.746 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.005 -19.314 -0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.880 -20.283 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.703 -20.743 -0.069 1.00 0.00 H new ATOM 449 N SER A 31 -7.672 -13.846 -2.255 1.00 0.00 N ATOM 450 CA SER A 31 -8.739 -13.779 -3.252 1.00 0.00 C ATOM 451 C SER A 31 -10.075 -14.220 -2.658 1.00 0.00 C ATOM 452 O SER A 31 -10.118 -14.806 -1.575 1.00 0.00 O ATOM 453 CB SER A 31 -8.392 -14.653 -4.459 1.00 0.00 C ATOM 454 OG SER A 31 -9.508 -14.797 -5.321 1.00 0.00 O ATOM 0 H SER A 31 -6.810 -14.278 -2.589 1.00 0.00 H new ATOM 0 HA SER A 31 -8.833 -12.742 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.560 -14.209 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.062 -15.635 -4.119 1.00 0.00 H new ATOM 0 HG SER A 31 -9.261 -15.358 -6.085 1.00 0.00 H new ATOM 460 N THR A 32 -11.160 -13.944 -3.372 1.00 0.00 N ATOM 461 CA THR A 32 -12.487 -14.319 -2.914 1.00 0.00 C ATOM 462 C THR A 32 -12.684 -15.811 -3.092 1.00 0.00 C ATOM 463 O THR A 32 -13.217 -16.497 -2.220 1.00 0.00 O ATOM 464 CB THR A 32 -13.558 -13.551 -3.692 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.964 -12.663 -4.622 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.469 -12.736 -2.802 1.00 0.00 C ATOM 0 H THR A 32 -11.144 -13.462 -4.271 1.00 0.00 H new ATOM 0 HA THR A 32 -12.581 -14.067 -1.858 1.00 0.00 H new ATOM 0 HB THR A 32 -14.151 -14.313 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.734 -13.152 -5.440 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.206 -12.216 -3.414 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.980 -13.397 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.879 -12.007 -2.247 1.00 0.00 H new ATOM 474 N ASP A 33 -12.237 -16.299 -4.233 1.00 0.00 N ATOM 475 CA ASP A 33 -12.339 -17.707 -4.559 1.00 0.00 C ATOM 476 C ASP A 33 -11.146 -18.486 -4.009 1.00 0.00 C ATOM 477 O ASP A 33 -11.185 -19.714 -3.914 1.00 0.00 O ATOM 478 CB ASP A 33 -12.439 -17.899 -6.074 1.00 0.00 C ATOM 479 CG ASP A 33 -13.721 -17.326 -6.647 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.664 -17.081 -5.865 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.780 -17.121 -7.877 1.00 0.00 O ATOM 0 H ASP A 33 -11.795 -15.733 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.245 -18.094 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.585 -17.422 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.384 -18.962 -6.307 1.00 0.00 H new ATOM 486 N GLY A 34 -10.083 -17.768 -3.652 1.00 0.00 N ATOM 487 CA GLY A 34 -8.896 -18.411 -3.122 1.00 0.00 C ATOM 488 C GLY A 34 -7.957 -18.875 -4.218 1.00 0.00 C ATOM 489 O GLY A 34 -7.301 -19.909 -4.086 1.00 0.00 O ATOM 0 H GLY A 34 -10.025 -16.752 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.371 -17.716 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.190 -19.265 -2.512 1.00 0.00 H new ATOM 493 N ASP A 35 -7.901 -18.114 -5.306 1.00 0.00 N ATOM 494 CA ASP A 35 -7.040 -18.456 -6.432 1.00 0.00 C ATOM 495 C ASP A 35 -5.722 -17.688 -6.385 1.00 0.00 C ATOM 496 O ASP A 35 -4.734 -18.104 -6.987 1.00 0.00 O ATOM 497 CB ASP A 35 -7.761 -18.175 -7.752 1.00 0.00 C ATOM 498 CG ASP A 35 -8.969 -19.066 -7.955 1.00 0.00 C ATOM 499 OD1 ASP A 35 -9.074 -20.094 -7.253 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.813 -18.737 -8.816 1.00 0.00 O ATOM 0 H ASP A 35 -8.441 -17.258 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.811 -19.520 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.075 -17.132 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.066 -18.317 -8.579 1.00 0.00 H new ATOM 505 N LYS A 36 -5.712 -16.569 -5.672 1.00 0.00 N ATOM 506 CA LYS A 36 -4.509 -15.754 -5.559 1.00 0.00 C ATOM 507 C LYS A 36 -4.317 -15.230 -4.139 1.00 0.00 C ATOM 508 O LYS A 36 -5.284 -14.940 -3.433 1.00 0.00 O ATOM 509 CB LYS A 36 -4.564 -14.579 -6.535 1.00 0.00 C ATOM 510 CG LYS A 36 -3.493 -14.639 -7.610 1.00 0.00 C ATOM 511 CD LYS A 36 -4.096 -14.618 -9.006 1.00 0.00 C ATOM 512 CE LYS A 36 -3.702 -13.362 -9.766 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.638 -12.233 -9.504 1.00 0.00 N ATOM 0 H LYS A 36 -6.519 -16.206 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.661 -16.392 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.545 -14.556 -7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.458 -13.648 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.813 -13.795 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.900 -15.545 -7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.766 -15.497 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.182 -14.675 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.692 -13.068 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.683 -13.576 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.838 -11.734 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.525 -12.603 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.205 -11.573 -8.827 1.00 0.00 H new ATOM 527 N VAL A 37 -3.059 -15.101 -3.737 1.00 0.00 N ATOM 528 CA VAL A 37 -2.718 -14.598 -2.411 1.00 0.00 C ATOM 529 C VAL A 37 -1.519 -13.658 -2.481 1.00 0.00 C ATOM 530 O VAL A 37 -0.572 -13.902 -3.228 1.00 0.00 O ATOM 531 CB VAL A 37 -2.406 -15.748 -1.432 1.00 0.00 C ATOM 532 CG1 VAL A 37 -2.127 -15.203 -0.039 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.552 -16.748 -1.401 1.00 0.00 C ATOM 0 H VAL A 37 -2.253 -15.339 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.587 -14.052 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.512 -16.265 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.909 -16.029 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.271 -14.529 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.001 -14.660 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.314 -17.552 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.464 -16.246 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.700 -17.163 -2.398 1.00 0.00 H new ATOM 543 N HIS A 38 -1.564 -12.581 -1.702 1.00 0.00 N ATOM 544 CA HIS A 38 -0.473 -11.611 -1.685 1.00 0.00 C ATOM 545 C HIS A 38 -0.118 -11.202 -0.262 1.00 0.00 C ATOM 546 O HIS A 38 -0.983 -11.114 0.606 1.00 0.00 O ATOM 547 CB HIS A 38 -0.841 -10.372 -2.498 1.00 0.00 C ATOM 548 CG HIS A 38 0.347 -9.564 -2.924 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.283 -10.018 -3.829 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.747 -8.322 -2.565 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.208 -9.092 -4.006 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.905 -8.053 -3.250 1.00 0.00 N ATOM 0 H HIS A 38 -2.339 -12.358 -1.078 1.00 0.00 H new ATOM 0 HA HIS A 38 0.397 -12.090 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.398 -10.680 -3.383 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.506 -9.743 -1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.248 -7.665 -1.869 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.066 -9.171 -4.658 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.445 -7.190 -3.186 1.00 0.00 H new ATOM 561 N THR A 39 1.164 -10.952 -0.037 1.00 0.00 N ATOM 562 CA THR A 39 1.649 -10.545 1.279 1.00 0.00 C ATOM 563 C THR A 39 2.512 -9.292 1.176 1.00 0.00 C ATOM 564 O THR A 39 3.373 -9.190 0.302 1.00 0.00 O ATOM 565 CB THR A 39 2.449 -11.680 1.922 1.00 0.00 C ATOM 566 OG1 THR A 39 1.681 -12.869 1.972 1.00 0.00 O ATOM 567 CG2 THR A 39 2.903 -11.366 3.331 1.00 0.00 C ATOM 0 H THR A 39 1.891 -11.023 -0.749 1.00 0.00 H new ATOM 0 HA THR A 39 0.786 -10.318 1.905 1.00 0.00 H new ATOM 0 HB THR A 39 3.330 -11.806 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.210 -13.583 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.464 -12.211 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.539 -10.481 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.033 -11.179 3.961 1.00 0.00 H new ATOM 575 N VAL A 40 2.283 -8.341 2.078 1.00 0.00 N ATOM 576 CA VAL A 40 3.049 -7.098 2.087 1.00 0.00 C ATOM 577 C VAL A 40 3.577 -6.776 3.475 1.00 0.00 C ATOM 578 O VAL A 40 2.883 -6.950 4.476 1.00 0.00 O ATOM 579 CB VAL A 40 2.215 -5.893 1.608 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.025 -4.604 1.723 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.726 -6.102 0.183 1.00 0.00 C ATOM 0 H VAL A 40 1.576 -8.407 2.810 1.00 0.00 H new ATOM 0 HA VAL A 40 3.878 -7.262 1.398 1.00 0.00 H new ATOM 0 HB VAL A 40 1.339 -5.806 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.421 -3.763 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.311 -4.446 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.921 -4.681 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.140 -5.238 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.582 -6.221 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.105 -6.997 0.139 1.00 0.00 H new ATOM 591 N VAL A 41 4.799 -6.271 3.520 1.00 0.00 N ATOM 592 CA VAL A 41 5.415 -5.881 4.777 1.00 0.00 C ATOM 593 C VAL A 41 5.009 -4.446 5.107 1.00 0.00 C ATOM 594 O VAL A 41 5.302 -3.519 4.352 1.00 0.00 O ATOM 595 CB VAL A 41 6.954 -5.999 4.699 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.466 -5.399 3.399 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.627 -5.357 5.910 1.00 0.00 C ATOM 0 H VAL A 41 5.385 -6.121 2.698 1.00 0.00 H new ATOM 0 HA VAL A 41 5.070 -6.551 5.565 1.00 0.00 H new ATOM 0 HB VAL A 41 7.213 -7.058 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.551 -5.490 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.026 -5.930 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.188 -4.346 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.709 -5.459 5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.364 -4.300 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.289 -5.853 6.820 1.00 0.00 H new ATOM 607 N LEU A 42 4.312 -4.275 6.223 1.00 0.00 N ATOM 608 CA LEU A 42 3.839 -2.958 6.634 1.00 0.00 C ATOM 609 C LEU A 42 4.965 -2.094 7.201 1.00 0.00 C ATOM 610 O LEU A 42 4.931 -0.869 7.095 1.00 0.00 O ATOM 611 CB LEU A 42 2.724 -3.102 7.671 1.00 0.00 C ATOM 612 CG LEU A 42 1.557 -3.993 7.242 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.533 -4.110 8.362 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.908 -3.448 5.978 1.00 0.00 C ATOM 0 H LEU A 42 4.061 -5.031 6.860 1.00 0.00 H new ATOM 0 HA LEU A 42 3.454 -2.458 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.151 -3.505 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.337 -2.111 7.908 1.00 0.00 H new ATOM 0 HG LEU A 42 1.945 -4.989 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.289 -4.748 8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.005 -4.546 9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.149 -3.120 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.080 -4.094 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.535 -2.441 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.644 -3.418 5.175 1.00 0.00 H new ATOM 626 N SER A 43 5.949 -2.738 7.819 1.00 0.00 N ATOM 627 CA SER A 43 7.072 -2.025 8.423 1.00 0.00 C ATOM 628 C SER A 43 7.786 -1.119 7.423 1.00 0.00 C ATOM 629 O SER A 43 8.470 -0.173 7.814 1.00 0.00 O ATOM 630 CB SER A 43 8.065 -3.020 9.025 1.00 0.00 C ATOM 631 OG SER A 43 9.304 -2.395 9.312 1.00 0.00 O ATOM 0 H SER A 43 5.993 -3.752 7.916 1.00 0.00 H new ATOM 0 HA SER A 43 6.666 -1.389 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.649 -3.446 9.938 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.223 -3.846 8.331 1.00 0.00 H new ATOM 0 HG SER A 43 9.920 -3.052 9.697 1.00 0.00 H new ATOM 637 N THR A 44 7.632 -1.410 6.138 1.00 0.00 N ATOM 638 CA THR A 44 8.278 -0.611 5.097 1.00 0.00 C ATOM 639 C THR A 44 7.345 0.473 4.570 1.00 0.00 C ATOM 640 O THR A 44 7.794 1.466 4.002 1.00 0.00 O ATOM 641 CB THR A 44 8.753 -1.499 3.940 1.00 0.00 C ATOM 642 OG1 THR A 44 7.858 -1.427 2.842 1.00 0.00 O ATOM 643 CG2 THR A 44 8.887 -2.955 4.318 1.00 0.00 C ATOM 0 H THR A 44 7.070 -2.187 5.790 1.00 0.00 H new ATOM 0 HA THR A 44 9.145 -0.129 5.549 1.00 0.00 H new ATOM 0 HB THR A 44 9.737 -1.113 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.183 -2.000 2.117 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.226 -3.526 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.611 -3.056 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.920 -3.336 4.647 1.00 0.00 H new ATOM 651 N ILE A 45 6.045 0.274 4.758 1.00 0.00 N ATOM 652 CA ILE A 45 5.052 1.237 4.295 1.00 0.00 C ATOM 653 C ILE A 45 5.382 2.644 4.784 1.00 0.00 C ATOM 654 O ILE A 45 4.991 3.041 5.881 1.00 0.00 O ATOM 655 CB ILE A 45 3.634 0.845 4.755 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.261 -0.526 4.189 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.616 1.894 4.326 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.126 -0.542 2.682 1.00 0.00 C ATOM 0 H ILE A 45 5.655 -0.544 5.227 1.00 0.00 H new ATOM 0 HA ILE A 45 5.079 1.228 3.205 1.00 0.00 H new ATOM 0 HB ILE A 45 3.625 0.792 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.019 -1.251 4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.320 -0.850 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.623 1.596 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.875 2.855 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.620 1.982 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.860 -1.546 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.347 0.158 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.073 -0.250 2.229 1.00 0.00 H new ATOM 670 N ASP A 46 6.107 3.390 3.957 1.00 0.00 N ATOM 671 CA ASP A 46 6.500 4.752 4.294 1.00 0.00 C ATOM 672 C ASP A 46 5.284 5.670 4.378 1.00 0.00 C ATOM 673 O ASP A 46 5.285 6.645 5.129 1.00 0.00 O ATOM 674 CB ASP A 46 7.487 5.290 3.258 1.00 0.00 C ATOM 675 CG ASP A 46 8.102 6.612 3.675 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.981 6.975 4.864 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.705 7.284 2.812 1.00 0.00 O ATOM 0 H ASP A 46 6.435 3.072 3.045 1.00 0.00 H new ATOM 0 HA ASP A 46 6.982 4.730 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.279 4.558 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.975 5.416 2.304 1.00 0.00 H new ATOM 682 N LYS A 47 4.251 5.356 3.602 1.00 0.00 N ATOM 683 CA LYS A 47 3.037 6.167 3.596 1.00 0.00 C ATOM 684 C LYS A 47 1.821 5.340 3.199 1.00 0.00 C ATOM 685 O LYS A 47 1.947 4.291 2.567 1.00 0.00 O ATOM 686 CB LYS A 47 3.186 7.352 2.636 1.00 0.00 C ATOM 687 CG LYS A 47 4.551 8.017 2.689 1.00 0.00 C ATOM 688 CD LYS A 47 4.656 9.148 1.678 1.00 0.00 C ATOM 689 CE LYS A 47 6.087 9.343 1.204 1.00 0.00 C ATOM 690 NZ LYS A 47 6.710 8.061 0.775 1.00 0.00 N ATOM 0 H LYS A 47 4.229 4.553 2.974 1.00 0.00 H new ATOM 0 HA LYS A 47 2.887 6.540 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.999 7.009 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.422 8.094 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.730 8.405 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.326 7.277 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.015 8.933 0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.291 10.072 2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.101 10.049 0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.678 9.783 2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.369 7.733 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.969 7.346 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.228 8.207 -0.115 1.00 0.00 H new ATOM 704 N LEU A 48 0.642 5.827 3.567 1.00 0.00 N ATOM 705 CA LEU A 48 -0.603 5.153 3.246 1.00 0.00 C ATOM 706 C LEU A 48 -1.598 6.150 2.655 1.00 0.00 C ATOM 707 O LEU A 48 -1.835 7.216 3.224 1.00 0.00 O ATOM 708 CB LEU A 48 -1.164 4.458 4.499 1.00 0.00 C ATOM 709 CG LEU A 48 -2.568 4.880 4.919 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.617 4.100 4.141 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.759 4.691 6.416 1.00 0.00 C ATOM 0 H LEU A 48 0.526 6.694 4.092 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.420 4.384 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.165 3.382 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.485 4.646 5.330 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.690 5.939 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.612 4.415 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.496 4.291 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.496 3.034 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.767 4.998 6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.615 3.641 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.032 5.299 6.955 1.00 0.00 H new ATOM 723 N GLN A 49 -2.167 5.805 1.506 1.00 0.00 N ATOM 724 CA GLN A 49 -3.125 6.680 0.838 1.00 0.00 C ATOM 725 C GLN A 49 -4.476 5.996 0.684 1.00 0.00 C ATOM 726 O GLN A 49 -4.552 4.785 0.471 1.00 0.00 O ATOM 727 CB GLN A 49 -2.592 7.100 -0.532 1.00 0.00 C ATOM 728 CG GLN A 49 -1.327 7.938 -0.462 1.00 0.00 C ATOM 729 CD GLN A 49 -0.788 8.295 -1.834 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.173 7.698 -2.841 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.108 9.274 -1.882 1.00 0.00 N ATOM 0 H GLN A 49 -1.983 4.928 1.018 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.260 7.567 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.394 6.207 -1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.364 7.665 -1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.532 8.853 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.564 7.392 0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.399 9.742 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.505 9.558 -2.777 1.00 0.00 H new ATOM 740 N ALA A 50 -5.541 6.781 0.791 1.00 0.00 N ATOM 741 CA ALA A 50 -6.894 6.257 0.662 1.00 0.00 C ATOM 742 C ALA A 50 -7.827 7.296 0.053 1.00 0.00 C ATOM 743 O ALA A 50 -7.726 8.485 0.353 1.00 0.00 O ATOM 744 CB ALA A 50 -7.418 5.806 2.018 1.00 0.00 C ATOM 0 H ALA A 50 -5.493 7.785 0.967 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.862 5.397 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.430 5.417 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.771 5.025 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.429 6.653 2.704 1.00 0.00 H new ATOM 750 N THR A 51 -8.733 6.840 -0.802 1.00 0.00 N ATOM 751 CA THR A 51 -9.684 7.734 -1.452 1.00 0.00 C ATOM 752 C THR A 51 -10.786 8.151 -0.474 1.00 0.00 C ATOM 753 O THR A 51 -11.543 7.310 0.011 1.00 0.00 O ATOM 754 CB THR A 51 -10.301 7.053 -2.677 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.051 5.913 -2.292 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.274 6.604 -3.693 1.00 0.00 C ATOM 0 H THR A 51 -8.830 5.858 -1.062 1.00 0.00 H new ATOM 0 HA THR A 51 -9.149 8.627 -1.775 1.00 0.00 H new ATOM 0 HB THR A 51 -10.938 7.809 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.008 6.106 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.778 6.130 -4.535 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.711 7.467 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.592 5.891 -3.230 1.00 0.00 H new ATOM 764 N PRO A 52 -10.889 9.458 -0.164 1.00 0.00 N ATOM 765 CA PRO A 52 -11.902 9.971 0.767 1.00 0.00 C ATOM 766 C PRO A 52 -13.324 9.726 0.277 1.00 0.00 C ATOM 767 O PRO A 52 -13.552 9.491 -0.910 1.00 0.00 O ATOM 768 CB PRO A 52 -11.610 11.475 0.835 1.00 0.00 C ATOM 769 CG PRO A 52 -10.826 11.774 -0.395 1.00 0.00 C ATOM 770 CD PRO A 52 -10.031 10.535 -0.688 1.00 0.00 C ATOM 0 HA PRO A 52 -11.846 9.472 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.533 12.055 0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.046 11.727 1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.485 12.021 -1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.171 12.631 -0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.844 10.419 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.059 10.553 -0.194 1.00 0.00 H new ATOM 778 N ALA A 53 -14.280 9.783 1.201 1.00 0.00 N ATOM 779 CA ALA A 53 -15.684 9.568 0.868 1.00 0.00 C ATOM 780 C ALA A 53 -16.147 10.540 -0.212 1.00 0.00 C ATOM 781 O ALA A 53 -16.845 10.154 -1.150 1.00 0.00 O ATOM 782 CB ALA A 53 -16.548 9.706 2.110 1.00 0.00 C ATOM 0 H ALA A 53 -14.107 9.977 2.187 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.788 8.556 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.593 9.543 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.241 8.967 2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.431 10.707 2.526 1.00 0.00 H new ATOM 788 N SER A 54 -15.748 11.802 -0.079 1.00 0.00 N ATOM 789 CA SER A 54 -16.121 12.824 -1.050 1.00 0.00 C ATOM 790 C SER A 54 -15.555 12.488 -2.425 1.00 0.00 C ATOM 791 O SER A 54 -16.113 12.873 -3.453 1.00 0.00 O ATOM 792 CB SER A 54 -15.621 14.197 -0.599 1.00 0.00 C ATOM 793 OG SER A 54 -14.206 14.269 -0.653 1.00 0.00 O ATOM 0 H SER A 54 -15.168 12.140 0.689 1.00 0.00 H new ATOM 0 HA SER A 54 -17.209 12.851 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.052 14.971 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.960 14.394 0.418 1.00 0.00 H new ATOM 0 HG SER A 54 -13.912 15.157 -0.361 1.00 0.00 H new ATOM 799 N SER A 55 -14.446 11.762 -2.430 1.00 0.00 N ATOM 800 CA SER A 55 -13.793 11.358 -3.664 1.00 0.00 C ATOM 801 C SER A 55 -14.494 10.159 -4.279 1.00 0.00 C ATOM 802 O SER A 55 -14.581 9.096 -3.665 1.00 0.00 O ATOM 803 CB SER A 55 -12.322 11.028 -3.404 1.00 0.00 C ATOM 804 OG SER A 55 -11.521 12.195 -3.446 1.00 0.00 O ATOM 0 H SER A 55 -13.977 11.439 -1.584 1.00 0.00 H new ATOM 0 HA SER A 55 -13.851 12.190 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.221 10.549 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.969 10.314 -4.149 1.00 0.00 H new ATOM 0 HG SER A 55 -12.003 12.938 -3.026 1.00 0.00 H new ATOM 810 N GLU A 56 -14.979 10.330 -5.503 1.00 0.00 N ATOM 811 CA GLU A 56 -15.655 9.251 -6.210 1.00 0.00 C ATOM 812 C GLU A 56 -14.755 8.022 -6.293 1.00 0.00 C ATOM 813 O GLU A 56 -15.224 6.909 -6.524 1.00 0.00 O ATOM 814 CB GLU A 56 -16.054 9.702 -7.615 1.00 0.00 C ATOM 815 CG GLU A 56 -16.892 8.681 -8.367 1.00 0.00 C ATOM 816 CD GLU A 56 -18.280 8.520 -7.782 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.762 9.468 -7.126 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.885 7.446 -7.978 1.00 0.00 O ATOM 0 H GLU A 56 -14.917 11.204 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.556 8.989 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.612 10.635 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.152 9.913 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.975 8.983 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.382 7.718 -8.353 1.00 0.00 H new ATOM 825 N LYS A 57 -13.456 8.237 -6.099 1.00 0.00 N ATOM 826 CA LYS A 57 -12.486 7.149 -6.148 1.00 0.00 C ATOM 827 C LYS A 57 -12.621 6.244 -4.927 1.00 0.00 C ATOM 828 O LYS A 57 -12.853 6.713 -3.813 1.00 0.00 O ATOM 829 CB LYS A 57 -11.064 7.709 -6.224 1.00 0.00 C ATOM 830 CG LYS A 57 -10.740 8.365 -7.556 1.00 0.00 C ATOM 831 CD LYS A 57 -11.283 9.782 -7.627 1.00 0.00 C ATOM 832 CE LYS A 57 -10.783 10.509 -8.865 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.782 10.481 -9.969 1.00 0.00 N ATOM 0 H LYS A 57 -13.052 9.154 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.686 6.558 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.926 8.439 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.354 6.902 -6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.660 8.381 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.162 7.772 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.373 9.755 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.984 10.332 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.553 11.544 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.854 10.050 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.402 10.987 -10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.983 9.495 -10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.660 10.941 -9.655 1.00 0.00 H new ATOM 847 N MET A 58 -12.474 4.942 -5.148 1.00 0.00 N ATOM 848 CA MET A 58 -12.577 3.963 -4.071 1.00 0.00 C ATOM 849 C MET A 58 -11.396 2.998 -4.110 1.00 0.00 C ATOM 850 O MET A 58 -11.514 1.881 -4.614 1.00 0.00 O ATOM 851 CB MET A 58 -13.890 3.188 -4.194 1.00 0.00 C ATOM 852 CG MET A 58 -15.125 4.068 -4.080 1.00 0.00 C ATOM 853 SD MET A 58 -16.640 3.114 -3.874 1.00 0.00 S ATOM 854 CE MET A 58 -16.290 2.262 -2.340 1.00 0.00 C ATOM 0 H MET A 58 -12.283 4.539 -6.065 1.00 0.00 H new ATOM 0 HA MET A 58 -12.562 4.492 -3.118 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.909 2.671 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.926 2.423 -3.418 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.008 4.744 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.209 4.687 -4.973 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.213 1.844 -1.937 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.578 1.458 -2.525 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.866 2.964 -1.622 1.00 0.00 H new ATOM 864 N MET A 59 -10.256 3.439 -3.587 1.00 0.00 N ATOM 865 CA MET A 59 -9.054 2.609 -3.578 1.00 0.00 C ATOM 866 C MET A 59 -8.095 3.024 -2.465 1.00 0.00 C ATOM 867 O MET A 59 -8.258 4.073 -1.842 1.00 0.00 O ATOM 868 CB MET A 59 -8.340 2.704 -4.927 1.00 0.00 C ATOM 869 CG MET A 59 -9.167 2.199 -6.099 1.00 0.00 C ATOM 870 SD MET A 59 -8.305 2.371 -7.673 1.00 0.00 S ATOM 871 CE MET A 59 -7.771 4.078 -7.574 1.00 0.00 C ATOM 0 H MET A 59 -10.138 4.361 -3.166 1.00 0.00 H new ATOM 0 HA MET A 59 -9.364 1.580 -3.396 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.066 3.743 -5.109 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.412 2.134 -4.877 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.418 1.151 -5.938 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.107 2.749 -6.141 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.581 4.458 -8.578 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.550 4.676 -7.101 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.857 4.140 -6.983 1.00 0.00 H new ATOM 881 N LEU A 60 -7.085 2.189 -2.235 1.00 0.00 N ATOM 882 CA LEU A 60 -6.075 2.452 -1.213 1.00 0.00 C ATOM 883 C LEU A 60 -4.682 2.193 -1.774 1.00 0.00 C ATOM 884 O LEU A 60 -4.400 1.103 -2.274 1.00 0.00 O ATOM 885 CB LEU A 60 -6.315 1.565 0.011 1.00 0.00 C ATOM 886 CG LEU A 60 -5.526 1.958 1.259 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.332 2.919 2.120 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.143 0.721 2.056 1.00 0.00 C ATOM 0 H LEU A 60 -6.944 1.318 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.149 3.497 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.378 1.583 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.065 0.537 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.613 2.463 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.754 3.188 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.558 3.818 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.262 2.440 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.582 1.018 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.045 0.190 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.527 0.067 1.439 1.00 0.00 H new ATOM 900 N ARG A 61 -3.814 3.197 -1.705 1.00 0.00 N ATOM 901 CA ARG A 61 -2.455 3.063 -2.225 1.00 0.00 C ATOM 902 C ARG A 61 -1.416 3.085 -1.107 1.00 0.00 C ATOM 903 O ARG A 61 -1.381 4.009 -0.293 1.00 0.00 O ATOM 904 CB ARG A 61 -2.162 4.178 -3.229 1.00 0.00 C ATOM 905 CG ARG A 61 -0.922 3.927 -4.072 1.00 0.00 C ATOM 906 CD ARG A 61 -0.648 5.087 -5.019 1.00 0.00 C ATOM 907 NE ARG A 61 0.415 4.775 -5.970 1.00 0.00 N ATOM 908 CZ ARG A 61 0.619 5.448 -7.101 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.167 6.467 -7.425 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.609 5.100 -7.909 1.00 0.00 N ATOM 0 H ARG A 61 -4.024 4.108 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.388 2.096 -2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.022 4.297 -3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.041 5.118 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.062 3.777 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.051 3.009 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.560 5.335 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.371 5.969 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 61 1.038 3.996 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.932 6.738 -6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.007 6.979 -8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.215 4.317 -7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.765 5.615 -8.775 1.00 0.00 H new ATOM 924 N LEU A 62 -0.564 2.063 -1.083 1.00 0.00 N ATOM 925 CA LEU A 62 0.491 1.957 -0.079 1.00 0.00 C ATOM 926 C LEU A 62 1.848 2.285 -0.697 1.00 0.00 C ATOM 927 O LEU A 62 2.108 1.949 -1.851 1.00 0.00 O ATOM 928 CB LEU A 62 0.524 0.543 0.514 1.00 0.00 C ATOM 929 CG LEU A 62 -0.646 0.165 1.435 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.861 1.049 1.186 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.010 -1.300 1.244 1.00 0.00 C ATOM 0 H LEU A 62 -0.584 1.293 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 62 0.279 2.672 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.558 -0.172 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.452 0.428 1.074 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.327 0.323 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.669 0.753 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.598 2.090 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.187 0.937 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.840 -1.557 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.302 -1.470 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.149 -1.923 1.486 1.00 0.00 H new ATOM 943 N ILE A 63 2.710 2.941 0.075 1.00 0.00 N ATOM 944 CA ILE A 63 4.037 3.306 -0.413 1.00 0.00 C ATOM 945 C ILE A 63 5.119 2.468 0.256 1.00 0.00 C ATOM 946 O ILE A 63 5.252 2.473 1.478 1.00 0.00 O ATOM 947 CB ILE A 63 4.360 4.794 -0.167 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.090 5.644 -0.142 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.312 5.309 -1.232 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.222 5.495 -1.362 1.00 0.00 C ATOM 0 H ILE A 63 2.516 3.229 1.034 1.00 0.00 H new ATOM 0 HA ILE A 63 4.024 3.117 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 63 4.838 4.874 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.506 5.379 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.370 6.692 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.531 6.360 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.238 4.734 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.851 5.203 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.343 6.132 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.785 5.789 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.908 4.456 -1.461 1.00 0.00 H new ATOM 962 N GLY A 64 5.897 1.759 -0.553 1.00 0.00 N ATOM 963 CA GLY A 64 6.965 0.935 -0.019 1.00 0.00 C ATOM 964 C GLY A 64 8.275 1.690 0.082 1.00 0.00 C ATOM 965 O GLY A 64 8.725 2.295 -0.892 1.00 0.00 O ATOM 0 H GLY A 64 5.808 1.740 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.681 0.570 0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.100 0.061 -0.656 1.00 0.00 H new ATOM 969 N LYS A 65 8.890 1.659 1.261 1.00 0.00 N ATOM 970 CA LYS A 65 10.158 2.350 1.484 1.00 0.00 C ATOM 971 C LYS A 65 11.171 2.007 0.396 1.00 0.00 C ATOM 972 O LYS A 65 11.189 0.890 -0.121 1.00 0.00 O ATOM 973 CB LYS A 65 10.725 1.987 2.859 1.00 0.00 C ATOM 974 CG LYS A 65 10.380 2.995 3.944 1.00 0.00 C ATOM 975 CD LYS A 65 10.907 2.557 5.299 1.00 0.00 C ATOM 976 CE LYS A 65 10.479 3.513 6.400 1.00 0.00 C ATOM 977 NZ LYS A 65 11.561 3.734 7.398 1.00 0.00 N ATOM 0 H LYS A 65 8.532 1.163 2.077 1.00 0.00 H new ATOM 0 HA LYS A 65 9.967 3.422 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.348 1.007 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.809 1.902 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.800 3.967 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.298 3.119 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.544 1.555 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.995 2.502 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.191 4.468 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.597 3.115 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.228 4.392 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.818 2.827 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.394 4.138 6.923 1.00 0.00 H new ATOM 991 N VAL A 66 12.011 2.978 0.050 1.00 0.00 N ATOM 992 CA VAL A 66 13.025 2.781 -0.979 1.00 0.00 C ATOM 993 C VAL A 66 14.429 2.777 -0.373 1.00 0.00 C ATOM 994 O VAL A 66 14.597 2.602 0.834 1.00 0.00 O ATOM 995 CB VAL A 66 12.921 3.869 -2.079 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.683 5.130 -1.692 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.404 3.332 -3.423 1.00 0.00 C ATOM 0 H VAL A 66 12.009 3.909 0.467 1.00 0.00 H new ATOM 0 HA VAL A 66 12.844 1.809 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 66 11.869 4.138 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.588 5.871 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.271 5.535 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.736 4.888 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.321 4.114 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.445 3.019 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.792 2.479 -3.715 1.00 0.00 H new ATOM 1007 N ASP A 67 15.429 2.974 -1.222 1.00 0.00 N ATOM 1008 CA ASP A 67 16.820 3.000 -0.789 1.00 0.00 C ATOM 1009 C ASP A 67 17.725 3.414 -1.945 1.00 0.00 C ATOM 1010 O ASP A 67 18.459 2.595 -2.497 1.00 0.00 O ATOM 1011 CB ASP A 67 17.239 1.628 -0.257 1.00 0.00 C ATOM 1012 CG ASP A 67 17.080 1.517 1.247 1.00 0.00 C ATOM 1013 OD1 ASP A 67 17.101 2.566 1.925 1.00 0.00 O ATOM 1014 OD2 ASP A 67 16.936 0.382 1.747 1.00 0.00 O ATOM 0 H ASP A 67 15.301 3.119 -2.223 1.00 0.00 H new ATOM 0 HA ASP A 67 16.919 3.730 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.641 0.856 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.279 1.440 -0.524 1.00 0.00 H new ATOM 1019 N GLU A 68 17.657 4.690 -2.312 1.00 0.00 N ATOM 1020 CA GLU A 68 18.461 5.214 -3.410 1.00 0.00 C ATOM 1021 C GLU A 68 19.946 4.953 -3.187 1.00 0.00 C ATOM 1022 O GLU A 68 20.730 4.932 -4.135 1.00 0.00 O ATOM 1023 CB GLU A 68 18.214 6.714 -3.580 1.00 0.00 C ATOM 1024 CG GLU A 68 16.763 7.065 -3.868 1.00 0.00 C ATOM 1025 CD GLU A 68 16.545 8.556 -4.031 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.600 9.278 -3.013 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.319 9.002 -5.175 1.00 0.00 O ATOM 0 H GLU A 68 17.053 5.380 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 68 18.159 4.695 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.531 7.230 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.837 7.086 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.443 6.553 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.136 6.697 -3.056 1.00 0.00 H new ATOM 1034 N SER A 69 20.325 4.748 -1.932 1.00 0.00 N ATOM 1035 CA SER A 69 21.716 4.481 -1.589 1.00 0.00 C ATOM 1036 C SER A 69 22.226 3.228 -2.298 1.00 0.00 C ATOM 1037 O SER A 69 23.434 3.013 -2.401 1.00 0.00 O ATOM 1038 CB SER A 69 21.868 4.321 -0.076 1.00 0.00 C ATOM 1039 OG SER A 69 23.231 4.188 0.289 1.00 0.00 O ATOM 0 H SER A 69 19.689 4.761 -1.135 1.00 0.00 H new ATOM 0 HA SER A 69 22.313 5.330 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.436 5.185 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 69 21.312 3.445 0.258 1.00 0.00 H new ATOM 0 HG SER A 69 23.724 3.758 -0.440 1.00 0.00 H new ATOM 1045 N LYS A 70 21.302 2.404 -2.787 1.00 0.00 N ATOM 1046 CA LYS A 70 21.666 1.175 -3.483 1.00 0.00 C ATOM 1047 C LYS A 70 22.411 1.480 -4.779 1.00 0.00 C ATOM 1048 O LYS A 70 23.429 0.858 -5.082 1.00 0.00 O ATOM 1049 CB LYS A 70 20.419 0.341 -3.781 1.00 0.00 C ATOM 1050 CG LYS A 70 19.703 -0.147 -2.532 1.00 0.00 C ATOM 1051 CD LYS A 70 20.556 -1.131 -1.749 1.00 0.00 C ATOM 1052 CE LYS A 70 19.786 -1.739 -0.589 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.694 -2.259 0.470 1.00 0.00 N ATOM 0 H LYS A 70 20.298 2.566 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 70 22.328 0.604 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.728 0.936 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.703 -0.519 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.454 0.704 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.763 -0.622 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.900 -1.924 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.444 -0.624 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.122 -0.988 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.156 -2.549 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.129 -2.665 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.311 -2.994 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.278 -1.481 0.839 1.00 0.00 H new ATOM 1067 N LYS A 71 21.895 2.439 -5.543 1.00 0.00 N ATOM 1068 CA LYS A 71 22.511 2.823 -6.807 1.00 0.00 C ATOM 1069 C LYS A 71 22.526 1.649 -7.779 1.00 0.00 C ATOM 1070 O LYS A 71 23.439 0.825 -7.760 1.00 0.00 O ATOM 1071 CB LYS A 71 23.937 3.325 -6.573 1.00 0.00 C ATOM 1072 CG LYS A 71 24.014 4.808 -6.250 1.00 0.00 C ATOM 1073 CD LYS A 71 24.035 5.052 -4.749 1.00 0.00 C ATOM 1074 CE LYS A 71 24.279 6.516 -4.426 1.00 0.00 C ATOM 1075 NZ LYS A 71 23.632 6.918 -3.147 1.00 0.00 N ATOM 0 H LYS A 71 21.052 2.963 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 71 21.919 3.627 -7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.383 2.760 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.535 3.124 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.910 5.233 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.160 5.322 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.087 4.736 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.814 4.443 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 71 25.352 6.700 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.896 7.135 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.765 7.939 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.615 6.703 -3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 24.064 6.393 -2.360 1.00 0.00 H new ATOM 1089 N ARG A 72 21.506 1.579 -8.628 1.00 0.00 N ATOM 1090 CA ARG A 72 21.401 0.504 -9.609 1.00 0.00 C ATOM 1091 C ARG A 72 22.073 0.896 -10.918 1.00 0.00 C ATOM 1092 O ARG A 72 22.382 2.066 -11.143 1.00 0.00 O ATOM 1093 CB ARG A 72 19.933 0.151 -9.858 1.00 0.00 C ATOM 1094 CG ARG A 72 19.320 -0.712 -8.768 1.00 0.00 C ATOM 1095 CD ARG A 72 19.957 -2.092 -8.728 1.00 0.00 C ATOM 1096 NE ARG A 72 19.315 -2.962 -7.746 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.439 -4.287 -7.736 1.00 0.00 C ATOM 1098 NH1 ARG A 72 20.178 -4.898 -8.654 1.00 0.00 N ATOM 1099 NH2 ARG A 72 18.821 -5.005 -6.807 1.00 0.00 N ATOM 0 H ARG A 72 20.741 2.253 -8.657 1.00 0.00 H new ATOM 0 HA ARG A 72 21.912 -0.371 -9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.357 1.072 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.850 -0.370 -10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.446 -0.224 -7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.248 -0.809 -8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.893 -2.550 -9.715 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.016 -1.996 -8.490 1.00 0.00 H new ATOM 0 HE ARG A 72 18.738 -2.529 -7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.654 -4.352 -9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.270 -5.914 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.250 -4.541 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.916 -6.020 -6.800 1.00 0.00 H new ATOM 1113 N LYS A 73 22.302 -0.089 -11.780 1.00 0.00 N ATOM 1114 CA LYS A 73 22.943 0.157 -13.066 1.00 0.00 C ATOM 1115 C LYS A 73 22.092 -0.374 -14.215 1.00 0.00 C ATOM 1116 O LYS A 73 21.396 -1.378 -14.073 1.00 0.00 O ATOM 1117 CB LYS A 73 24.328 -0.492 -13.101 1.00 0.00 C ATOM 1118 CG LYS A 73 25.241 -0.038 -11.974 1.00 0.00 C ATOM 1119 CD LYS A 73 26.548 0.527 -12.505 1.00 0.00 C ATOM 1120 CE LYS A 73 27.663 0.411 -11.479 1.00 0.00 C ATOM 1121 NZ LYS A 73 27.842 -0.991 -11.009 1.00 0.00 N ATOM 0 H LYS A 73 22.054 -1.064 -11.611 1.00 0.00 H new ATOM 0 HA LYS A 73 23.049 1.235 -13.187 1.00 0.00 H new ATOM 0 HB2 LYS A 73 24.214 -1.575 -13.051 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.802 -0.265 -14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.733 0.719 -11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.450 -0.879 -11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.832 -0.003 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.409 1.574 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 73 28.596 0.770 -11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.441 1.054 -10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.830 -1.136 -10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.213 -1.169 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.609 -1.648 -11.781 1.00 0.00 H new ATOM 1135 N ASP A 74 22.159 0.309 -15.353 1.00 0.00 N ATOM 1136 CA ASP A 74 21.398 -0.094 -16.532 1.00 0.00 C ATOM 1137 C ASP A 74 22.075 -1.264 -17.238 1.00 0.00 C ATOM 1138 O ASP A 74 23.188 -1.653 -16.888 1.00 0.00 O ATOM 1139 CB ASP A 74 21.252 1.086 -17.495 1.00 0.00 C ATOM 1140 CG ASP A 74 20.012 0.973 -18.363 1.00 0.00 C ATOM 1141 OD1 ASP A 74 20.048 0.207 -19.349 1.00 0.00 O ATOM 1142 OD2 ASP A 74 19.010 1.652 -18.057 1.00 0.00 O ATOM 0 H ASP A 74 22.731 1.143 -15.485 1.00 0.00 H new ATOM 0 HA ASP A 74 20.407 -0.413 -16.208 1.00 0.00 H new ATOM 0 HB2 ASP A 74 21.210 2.014 -16.925 1.00 0.00 H new ATOM 0 HB3 ASP A 74 22.135 1.143 -18.132 1.00 0.00 H new ATOM 1147 N ASN A 75 21.394 -1.820 -18.236 1.00 0.00 N ATOM 1148 CA ASN A 75 21.929 -2.948 -18.992 1.00 0.00 C ATOM 1149 C ASN A 75 23.273 -2.601 -19.625 1.00 0.00 C ATOM 1150 O ASN A 75 24.077 -3.485 -19.918 1.00 0.00 O ATOM 1151 CB ASN A 75 20.937 -3.380 -20.073 1.00 0.00 C ATOM 1152 CG ASN A 75 19.610 -3.832 -19.493 1.00 0.00 C ATOM 1153 OD1 ASN A 75 18.547 -3.379 -19.918 1.00 0.00 O ATOM 1154 ND2 ASN A 75 19.665 -4.730 -18.517 1.00 0.00 N ATOM 0 H ASN A 75 20.472 -1.508 -18.540 1.00 0.00 H new ATOM 0 HA ASN A 75 22.083 -3.774 -18.298 1.00 0.00 H new ATOM 0 HB2 ASN A 75 20.767 -2.550 -20.759 1.00 0.00 H new ATOM 0 HB3 ASN A 75 21.371 -4.192 -20.657 1.00 0.00 H new ATOM 0 HD21 ASN A 75 18.804 -5.071 -18.089 1.00 0.00 H new ATOM 0 HD22 ASN A 75 20.568 -5.079 -18.195 1.00 0.00 H new ATOM 1161 N GLU A 76 23.506 -1.312 -19.836 1.00 0.00 N ATOM 1162 CA GLU A 76 24.753 -0.851 -20.439 1.00 0.00 C ATOM 1163 C GLU A 76 25.770 -0.451 -19.372 1.00 0.00 C ATOM 1164 O GLU A 76 26.719 0.280 -19.652 1.00 0.00 O ATOM 1165 CB GLU A 76 24.484 0.333 -21.370 1.00 0.00 C ATOM 1166 CG GLU A 76 23.571 -0.005 -22.537 1.00 0.00 C ATOM 1167 CD GLU A 76 22.104 0.019 -22.156 1.00 0.00 C ATOM 1168 OE1 GLU A 76 21.773 0.605 -21.104 1.00 0.00 O ATOM 1169 OE2 GLU A 76 21.286 -0.546 -22.912 1.00 0.00 O ATOM 0 H GLU A 76 22.850 -0.567 -19.600 1.00 0.00 H new ATOM 0 HA GLU A 76 25.170 -1.676 -21.016 1.00 0.00 H new ATOM 0 HB2 GLU A 76 24.038 1.143 -20.794 1.00 0.00 H new ATOM 0 HB3 GLU A 76 25.433 0.703 -21.758 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.744 0.705 -23.346 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.827 -0.993 -22.919 1.00 0.00 H new ATOM 1176 N GLY A 77 25.569 -0.935 -18.148 1.00 0.00 N ATOM 1177 CA GLY A 77 26.481 -0.615 -17.066 1.00 0.00 C ATOM 1178 C GLY A 77 26.298 0.796 -16.537 1.00 0.00 C ATOM 1179 O GLY A 77 27.105 1.272 -15.739 1.00 0.00 O ATOM 0 H GLY A 77 24.792 -1.542 -17.888 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.334 -1.325 -16.252 1.00 0.00 H new ATOM 0 HA3 GLY A 77 27.507 -0.737 -17.414 1.00 0.00 H new ATOM 1183 N ASN A 78 25.239 1.467 -16.979 1.00 0.00 N ATOM 1184 CA ASN A 78 24.961 2.830 -16.538 1.00 0.00 C ATOM 1185 C ASN A 78 24.593 2.856 -15.057 1.00 0.00 C ATOM 1186 O ASN A 78 24.847 1.897 -14.330 1.00 0.00 O ATOM 1187 CB ASN A 78 23.829 3.437 -17.372 1.00 0.00 C ATOM 1188 CG ASN A 78 23.973 3.144 -18.851 1.00 0.00 C ATOM 1189 OD1 ASN A 78 23.043 2.653 -19.493 1.00 0.00 O ATOM 1190 ND2 ASN A 78 25.142 3.443 -19.398 1.00 0.00 N ATOM 0 H ASN A 78 24.560 1.090 -17.641 1.00 0.00 H new ATOM 0 HA ASN A 78 25.863 3.425 -16.679 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.874 3.047 -17.020 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.809 4.516 -17.220 1.00 0.00 H new ATOM 0 HD21 ASN A 78 25.300 3.268 -20.390 1.00 0.00 H new ATOM 0 HD22 ASN A 78 25.884 3.848 -18.827 1.00 0.00 H new ATOM 1197 N GLU A 79 23.997 3.957 -14.615 1.00 0.00 N ATOM 1198 CA GLU A 79 23.595 4.104 -13.220 1.00 0.00 C ATOM 1199 C GLU A 79 22.215 4.746 -13.121 1.00 0.00 C ATOM 1200 O GLU A 79 21.908 5.693 -13.845 1.00 0.00 O ATOM 1201 CB GLU A 79 24.619 4.945 -12.459 1.00 0.00 C ATOM 1202 CG GLU A 79 26.017 4.346 -12.455 1.00 0.00 C ATOM 1203 CD GLU A 79 27.008 5.179 -11.664 1.00 0.00 C ATOM 1204 OE1 GLU A 79 26.670 6.327 -11.308 1.00 0.00 O ATOM 1205 OE2 GLU A 79 28.122 4.681 -11.398 1.00 0.00 O ATOM 0 H GLU A 79 23.781 4.762 -15.203 1.00 0.00 H new ATOM 0 HA GLU A 79 23.548 3.111 -12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.660 5.940 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.283 5.068 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.976 3.341 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 79 26.369 4.248 -13.482 1.00 0.00 H new ATOM 1212 N VAL A 80 21.388 4.228 -12.217 1.00 0.00 N ATOM 1213 CA VAL A 80 20.041 4.757 -12.028 1.00 0.00 C ATOM 1214 C VAL A 80 19.661 4.792 -10.557 1.00 0.00 C ATOM 1215 O VAL A 80 20.198 4.044 -9.742 1.00 0.00 O ATOM 1216 CB VAL A 80 18.982 3.935 -12.803 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.516 3.519 -14.166 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.535 2.714 -12.003 1.00 0.00 C ATOM 0 H VAL A 80 21.626 3.446 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 80 20.054 5.773 -12.423 1.00 0.00 H new ATOM 0 HB VAL A 80 18.111 4.572 -12.954 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.756 2.943 -14.694 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.765 4.408 -14.746 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.409 2.908 -14.036 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.791 2.157 -12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.395 2.074 -11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.099 3.038 -11.058 1.00 0.00 H new ATOM 1228 N VAL A 81 18.722 5.666 -10.244 1.00 0.00 N ATOM 1229 CA VAL A 81 18.228 5.822 -8.894 1.00 0.00 C ATOM 1230 C VAL A 81 16.913 5.062 -8.730 1.00 0.00 C ATOM 1231 O VAL A 81 15.855 5.543 -9.131 1.00 0.00 O ATOM 1232 CB VAL A 81 18.022 7.314 -8.579 1.00 0.00 C ATOM 1233 CG1 VAL A 81 17.195 7.986 -9.664 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.393 7.503 -7.206 1.00 0.00 C ATOM 0 H VAL A 81 18.281 6.288 -10.922 1.00 0.00 H new ATOM 0 HA VAL A 81 18.960 5.414 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 81 19.001 7.794 -8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.062 9.040 -9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 81 17.709 7.897 -10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.220 7.503 -9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.259 8.567 -7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.424 7.004 -7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.044 7.073 -6.445 1.00 0.00 H new ATOM 1244 N PRO A 82 16.961 3.844 -8.156 1.00 0.00 N ATOM 1245 CA PRO A 82 15.774 3.015 -7.966 1.00 0.00 C ATOM 1246 C PRO A 82 14.564 3.813 -7.489 1.00 0.00 C ATOM 1247 O PRO A 82 14.699 4.771 -6.727 1.00 0.00 O ATOM 1248 CB PRO A 82 16.215 2.022 -6.896 1.00 0.00 C ATOM 1249 CG PRO A 82 17.681 1.860 -7.115 1.00 0.00 C ATOM 1250 CD PRO A 82 18.181 3.175 -7.663 1.00 0.00 C ATOM 0 HA PRO A 82 15.448 2.552 -8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.003 2.398 -5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.692 1.071 -6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.187 1.611 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.881 1.047 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.676 3.766 -6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.905 3.024 -8.464 1.00 0.00 H new ATOM 1258 N LYS A 83 13.381 3.409 -7.942 1.00 0.00 N ATOM 1259 CA LYS A 83 12.145 4.085 -7.563 1.00 0.00 C ATOM 1260 C LYS A 83 11.494 3.402 -6.369 1.00 0.00 C ATOM 1261 O LYS A 83 11.688 2.209 -6.136 1.00 0.00 O ATOM 1262 CB LYS A 83 11.173 4.122 -8.743 1.00 0.00 C ATOM 1263 CG LYS A 83 11.631 5.019 -9.881 1.00 0.00 C ATOM 1264 CD LYS A 83 10.995 6.398 -9.793 1.00 0.00 C ATOM 1265 CE LYS A 83 11.894 7.379 -9.060 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.110 8.401 -8.313 1.00 0.00 N ATOM 0 H LYS A 83 13.252 2.617 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 83 12.394 5.107 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.036 3.109 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.200 4.464 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.716 5.115 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.374 4.559 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.790 6.770 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.037 6.326 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.535 6.835 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.549 7.876 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.761 9.051 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.517 8.938 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.504 7.929 -7.612 1.00 0.00 H new ATOM 1280 N PRO A 84 10.722 4.169 -5.588 1.00 0.00 N ATOM 1281 CA PRO A 84 10.041 3.672 -4.389 1.00 0.00 C ATOM 1282 C PRO A 84 8.874 2.747 -4.716 1.00 0.00 C ATOM 1283 O PRO A 84 8.138 2.976 -5.675 1.00 0.00 O ATOM 1284 CB PRO A 84 9.543 4.954 -3.709 1.00 0.00 C ATOM 1285 CG PRO A 84 10.299 6.047 -4.379 1.00 0.00 C ATOM 1286 CD PRO A 84 10.465 5.595 -5.786 1.00 0.00 C ATOM 0 HA PRO A 84 10.703 3.071 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.468 5.079 -3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.737 4.936 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.756 6.991 -4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.265 6.210 -3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.573 5.775 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.292 6.098 -6.287 1.00 0.00 H new ATOM 1294 N GLN A 85 8.711 1.704 -3.911 1.00 0.00 N ATOM 1295 CA GLN A 85 7.633 0.745 -4.114 1.00 0.00 C ATOM 1296 C GLN A 85 6.274 1.402 -3.898 1.00 0.00 C ATOM 1297 O GLN A 85 6.134 2.306 -3.075 1.00 0.00 O ATOM 1298 CB GLN A 85 7.795 -0.444 -3.164 1.00 0.00 C ATOM 1299 CG GLN A 85 8.402 -1.672 -3.822 1.00 0.00 C ATOM 1300 CD GLN A 85 8.627 -2.808 -2.843 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.652 -2.864 -2.164 1.00 0.00 O ATOM 1302 NE2 GLN A 85 7.665 -3.722 -2.766 1.00 0.00 N ATOM 0 H GLN A 85 9.312 1.501 -3.112 1.00 0.00 H new ATOM 0 HA GLN A 85 7.685 0.389 -5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.423 -0.144 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.819 -0.707 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.745 -2.012 -4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.352 -1.401 -4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.832 -3.636 -3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.760 -4.510 -2.125 1.00 0.00 H new ATOM 1311 N ARG A 86 5.275 0.943 -4.642 1.00 0.00 N ATOM 1312 CA ARG A 86 3.926 1.484 -4.532 1.00 0.00 C ATOM 1313 C ARG A 86 2.888 0.412 -4.852 1.00 0.00 C ATOM 1314 O ARG A 86 2.870 -0.139 -5.953 1.00 0.00 O ATOM 1315 CB ARG A 86 3.755 2.678 -5.474 1.00 0.00 C ATOM 1316 CG ARG A 86 3.603 4.007 -4.752 1.00 0.00 C ATOM 1317 CD ARG A 86 4.911 4.781 -4.727 1.00 0.00 C ATOM 1318 NE ARG A 86 4.718 6.170 -4.316 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.095 7.082 -5.057 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.602 6.758 -6.247 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.963 8.323 -4.609 1.00 0.00 N ATOM 0 H ARG A 86 5.374 0.196 -5.329 1.00 0.00 H new ATOM 0 HA ARG A 86 3.774 1.818 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.617 2.732 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.879 2.513 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.835 4.604 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.264 3.831 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.607 4.294 -4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.366 4.756 -5.717 1.00 0.00 H new ATOM 0 HE ARG A 86 5.082 6.457 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.700 5.805 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.125 7.462 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.339 8.578 -3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.485 9.022 -5.177 1.00 0.00 H new ATOM 1335 N HIS A 87 2.026 0.118 -3.885 1.00 0.00 N ATOM 1336 CA HIS A 87 0.986 -0.890 -4.069 1.00 0.00 C ATOM 1337 C HIS A 87 -0.357 -0.231 -4.370 1.00 0.00 C ATOM 1338 O HIS A 87 -0.577 0.931 -4.033 1.00 0.00 O ATOM 1339 CB HIS A 87 0.869 -1.770 -2.823 1.00 0.00 C ATOM 1340 CG HIS A 87 2.154 -2.437 -2.440 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.677 -3.515 -3.124 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.022 -2.175 -1.434 1.00 0.00 C ATOM 1343 CE1 HIS A 87 3.811 -3.885 -2.556 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.043 -3.089 -1.529 1.00 0.00 N ATOM 0 H HIS A 87 2.026 0.562 -2.967 1.00 0.00 H new ATOM 0 HA HIS A 87 1.265 -1.515 -4.918 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.523 -1.160 -1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.110 -2.533 -2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.929 -1.393 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.441 -4.701 -2.878 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.849 -3.144 -0.907 1.00 0.00 H new ATOM 1353 N MET A 88 -1.250 -0.980 -5.009 1.00 0.00 N ATOM 1354 CA MET A 88 -2.568 -0.460 -5.355 1.00 0.00 C ATOM 1355 C MET A 88 -3.667 -1.454 -4.992 1.00 0.00 C ATOM 1356 O MET A 88 -3.627 -2.616 -5.394 1.00 0.00 O ATOM 1357 CB MET A 88 -2.634 -0.134 -6.847 1.00 0.00 C ATOM 1358 CG MET A 88 -3.941 0.516 -7.272 1.00 0.00 C ATOM 1359 SD MET A 88 -4.022 0.818 -9.047 1.00 0.00 S ATOM 1360 CE MET A 88 -5.590 1.677 -9.173 1.00 0.00 C ATOM 0 H MET A 88 -1.086 -1.945 -5.297 1.00 0.00 H new ATOM 0 HA MET A 88 -2.729 0.452 -4.780 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.808 0.530 -7.102 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.492 -1.052 -7.417 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.773 -0.124 -6.978 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.062 1.460 -6.741 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.717 2.056 -10.187 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.402 0.988 -8.939 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.606 2.510 -8.470 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.652 -0.982 -4.234 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.771 -1.820 -3.819 1.00 0.00 C ATOM 1372 C PHE A 89 -7.091 -1.084 -4.015 1.00 0.00 C ATOM 1373 O PHE A 89 -7.152 0.140 -3.900 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.611 -2.230 -2.353 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.352 -3.006 -2.084 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.329 -4.384 -2.221 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.193 -2.355 -1.690 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.173 -5.099 -1.973 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.034 -3.065 -1.440 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.024 -4.439 -1.581 1.00 0.00 C ATOM 0 H PHE A 89 -4.698 -0.021 -3.894 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.777 -2.717 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.617 -1.335 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.470 -2.831 -2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.225 -4.905 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.196 -1.281 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.167 -6.173 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.137 -2.546 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.120 -4.996 -1.385 1.00 0.00 H new ATOM 1390 N SER A 90 -8.149 -1.831 -4.317 1.00 0.00 N ATOM 1391 CA SER A 90 -9.463 -1.237 -4.533 1.00 0.00 C ATOM 1392 C SER A 90 -10.531 -1.928 -3.689 1.00 0.00 C ATOM 1393 O SER A 90 -10.609 -3.154 -3.648 1.00 0.00 O ATOM 1394 CB SER A 90 -9.840 -1.310 -6.013 1.00 0.00 C ATOM 1395 OG SER A 90 -11.151 -0.814 -6.231 1.00 0.00 O ATOM 0 H SER A 90 -8.122 -2.846 -4.417 1.00 0.00 H new ATOM 0 HA SER A 90 -9.411 -0.192 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.127 -0.733 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.776 -2.342 -6.357 1.00 0.00 H new ATOM 0 HG SER A 90 -11.272 0.021 -5.732 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.356 -1.127 -3.025 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.427 -1.653 -2.186 1.00 0.00 C ATOM 1403 C PHE A 91 -13.773 -1.096 -2.636 1.00 0.00 C ATOM 1404 O PHE A 91 -13.832 -0.077 -3.323 1.00 0.00 O ATOM 1405 CB PHE A 91 -12.192 -1.295 -0.716 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.775 -1.500 -0.247 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.734 -0.766 -0.794 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.489 -2.418 0.752 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.437 -0.947 -0.358 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.192 -2.604 1.191 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.164 -1.866 0.636 1.00 0.00 C ATOM 0 H PHE A 91 -11.304 -0.109 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.433 -2.738 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.467 -0.252 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.858 -1.896 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.940 -0.044 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.289 -2.994 1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.635 -0.370 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.982 -3.325 1.967 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.150 -2.008 0.979 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.852 -1.763 -2.241 1.00 0.00 N ATOM 1422 CA ASN A 92 -16.191 -1.319 -2.607 1.00 0.00 C ATOM 1423 C ASN A 92 -16.975 -0.881 -1.373 1.00 0.00 C ATOM 1424 O ASN A 92 -18.203 -0.964 -1.343 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.949 -2.427 -3.332 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.130 -3.060 -4.439 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.467 -2.368 -5.212 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.170 -4.386 -4.522 1.00 0.00 N ATOM 0 H ASN A 92 -14.826 -2.608 -1.671 1.00 0.00 H new ATOM 0 HA ASN A 92 -16.086 -0.466 -3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -17.239 -3.194 -2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.869 -2.019 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.638 -4.868 -5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.733 -4.922 -3.861 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.256 -0.412 -0.360 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.883 0.044 0.875 1.00 0.00 C ATOM 1437 C ASN A 93 -16.019 1.098 1.558 1.00 0.00 C ATOM 1438 O ASN A 93 -14.945 0.792 2.077 1.00 0.00 O ATOM 1439 CB ASN A 93 -17.115 -1.136 1.821 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.057 -0.790 2.957 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.529 0.341 3.064 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.335 -1.766 3.813 1.00 0.00 N ATOM 0 H ASN A 93 -15.239 -0.337 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.845 0.491 0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -17.523 -1.975 1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -16.159 -1.462 2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.963 -1.592 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.921 -2.689 3.686 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.493 2.341 1.557 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.757 3.438 2.178 1.00 0.00 C ATOM 1451 C ARG A 94 -15.388 3.099 3.616 1.00 0.00 C ATOM 1452 O ARG A 94 -14.359 3.539 4.127 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.584 4.725 2.138 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.566 5.417 0.785 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.818 5.109 -0.021 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.979 5.854 0.463 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.905 5.352 1.281 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.815 4.101 1.718 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -20.926 6.106 1.665 1.00 0.00 N ATOM 0 H ARG A 94 -17.381 2.613 1.134 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.837 3.591 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.615 4.493 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.206 5.413 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.481 6.494 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.686 5.100 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.643 5.352 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.027 4.040 0.028 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.088 6.820 0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.032 3.515 1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.529 3.727 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.002 7.068 1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -21.635 5.724 2.291 1.00 0.00 H new ATOM 1473 N THR A 95 -16.236 2.310 4.257 1.00 0.00 N ATOM 1474 CA THR A 95 -16.024 1.896 5.622 1.00 0.00 C ATOM 1475 C THR A 95 -14.850 0.929 5.722 1.00 0.00 C ATOM 1476 O THR A 95 -13.904 1.163 6.474 1.00 0.00 O ATOM 1477 CB THR A 95 -17.294 1.240 6.133 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.398 1.566 5.306 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.646 1.644 7.539 1.00 0.00 C ATOM 0 H THR A 95 -17.090 1.942 3.839 1.00 0.00 H new ATOM 0 HA THR A 95 -15.785 2.768 6.231 1.00 0.00 H new ATOM 0 HB THR A 95 -17.091 0.169 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.578 0.823 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.563 1.140 7.843 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.836 1.362 8.212 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.794 2.723 7.581 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.910 -0.151 4.949 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.844 -1.144 4.946 1.00 0.00 C ATOM 1489 C VAL A 96 -12.521 -0.499 4.554 1.00 0.00 C ATOM 1490 O VAL A 96 -11.462 -0.859 5.068 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.150 -2.301 3.975 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.054 -3.356 4.029 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.506 -2.915 4.289 1.00 0.00 C ATOM 0 H VAL A 96 -15.684 -0.360 4.318 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.774 -1.548 5.956 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.182 -1.899 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.291 -4.163 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.101 -2.906 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.983 -3.756 5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.706 -3.730 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.504 -3.300 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.281 -2.155 4.190 1.00 0.00 H new ATOM 1503 N MET A 97 -12.595 0.465 3.643 1.00 0.00 N ATOM 1504 CA MET A 97 -11.411 1.175 3.182 1.00 0.00 C ATOM 1505 C MET A 97 -10.815 2.013 4.307 1.00 0.00 C ATOM 1506 O MET A 97 -9.596 2.108 4.446 1.00 0.00 O ATOM 1507 CB MET A 97 -11.760 2.070 1.990 1.00 0.00 C ATOM 1508 CG MET A 97 -10.891 1.819 0.769 1.00 0.00 C ATOM 1509 SD MET A 97 -11.081 3.095 -0.489 1.00 0.00 S ATOM 1510 CE MET A 97 -10.731 4.562 0.473 1.00 0.00 C ATOM 0 H MET A 97 -13.466 0.772 3.209 1.00 0.00 H new ATOM 0 HA MET A 97 -10.671 0.439 2.868 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.805 1.913 1.721 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.661 3.114 2.288 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.846 1.768 1.075 1.00 0.00 H new ATOM 0 HG3 MET A 97 -11.145 0.850 0.340 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.118 5.245 -0.115 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.666 5.053 0.741 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.195 4.283 1.380 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.685 2.617 5.110 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.241 3.445 6.224 1.00 0.00 C ATOM 1522 C ASP A 98 -10.606 2.592 7.310 1.00 0.00 C ATOM 1523 O ASP A 98 -9.649 3.005 7.958 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.413 4.243 6.799 1.00 0.00 C ATOM 1525 CG ASP A 98 -11.982 5.190 7.902 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -10.764 5.435 8.035 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -12.865 5.690 8.633 1.00 0.00 O ATOM 0 H ASP A 98 -12.698 2.549 5.010 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.492 4.143 5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.888 4.812 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.162 3.554 7.188 1.00 0.00 H new ATOM 1532 N ASN A 99 -11.139 1.396 7.495 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.616 0.476 8.500 1.00 0.00 C ATOM 1534 C ASN A 99 -9.168 0.121 8.184 1.00 0.00 C ATOM 1535 O ASN A 99 -8.347 -0.044 9.084 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.467 -0.794 8.562 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.914 -0.504 8.907 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -13.214 0.455 9.617 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.820 -1.336 8.407 1.00 0.00 N ATOM 0 H ASN A 99 -11.933 1.036 6.965 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.656 0.968 9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.421 -1.306 7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.048 -1.473 9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.810 -1.192 8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.526 -2.119 7.823 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.867 0.015 6.894 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.521 -0.311 6.440 1.00 0.00 C ATOM 1548 C ILE A 100 -6.576 0.865 6.660 1.00 0.00 C ATOM 1549 O ILE A 100 -5.501 0.713 7.240 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.518 -0.693 4.946 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.459 -1.874 4.700 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.108 -1.024 4.474 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.914 -3.192 5.203 1.00 0.00 C ATOM 0 H ILE A 100 -9.542 0.151 6.141 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.177 -1.164 7.025 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.874 0.162 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.414 -1.675 5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.656 -1.955 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.131 -1.290 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.464 -0.156 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.719 -1.863 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.632 -3.985 4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.973 -3.413 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.743 -3.129 6.278 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.988 2.037 6.194 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.183 3.242 6.336 1.00 0.00 C ATOM 1567 C LYS A 101 -5.994 3.597 7.808 1.00 0.00 C ATOM 1568 O LYS A 101 -4.998 4.216 8.185 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.819 4.407 5.567 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.975 5.082 6.289 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.707 6.051 5.375 1.00 0.00 C ATOM 1572 CE LYS A 101 -9.350 7.185 6.156 1.00 0.00 C ATOM 1573 NZ LYS A 101 -10.836 7.156 6.057 1.00 0.00 N ATOM 0 H LYS A 101 -7.877 2.178 5.714 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.199 3.050 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.051 5.152 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.173 4.040 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.671 4.326 6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.599 5.616 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.008 6.462 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.473 5.515 4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.055 7.118 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.980 8.139 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.162 7.968 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.136 6.273 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.248 7.206 7.010 1.00 0.00 H new ATOM 1587 N MET A 102 -6.952 3.195 8.633 1.00 0.00 N ATOM 1588 CA MET A 102 -6.892 3.461 10.065 1.00 0.00 C ATOM 1589 C MET A 102 -5.944 2.480 10.743 1.00 0.00 C ATOM 1590 O MET A 102 -5.159 2.856 11.613 1.00 0.00 O ATOM 1591 CB MET A 102 -8.299 3.381 10.680 1.00 0.00 C ATOM 1592 CG MET A 102 -8.418 2.439 11.872 1.00 0.00 C ATOM 1593 SD MET A 102 -10.122 2.213 12.419 1.00 0.00 S ATOM 1594 CE MET A 102 -10.757 3.881 12.266 1.00 0.00 C ATOM 0 H MET A 102 -7.782 2.682 8.335 1.00 0.00 H new ATOM 0 HA MET A 102 -6.509 4.469 10.223 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.602 4.380 10.992 1.00 0.00 H new ATOM 0 HB3 MET A 102 -9.000 3.061 9.909 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.995 1.470 11.607 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.825 2.830 12.699 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.708 3.958 12.794 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.044 4.583 12.698 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.907 4.118 11.213 1.00 0.00 H new ATOM 1604 N THR A 103 -6.024 1.220 10.332 1.00 0.00 N ATOM 1605 CA THR A 103 -5.178 0.181 10.894 1.00 0.00 C ATOM 1606 C THR A 103 -3.734 0.342 10.421 1.00 0.00 C ATOM 1607 O THR A 103 -2.795 0.159 11.196 1.00 0.00 O ATOM 1608 CB THR A 103 -5.733 -1.193 10.517 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.260 -1.852 11.656 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.707 -2.103 9.898 1.00 0.00 C ATOM 0 H THR A 103 -6.668 0.896 9.610 1.00 0.00 H new ATOM 0 HA THR A 103 -5.178 0.271 11.980 1.00 0.00 H new ATOM 0 HB THR A 103 -6.511 -0.995 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.315 -2.815 11.481 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.169 -3.060 9.655 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.318 -1.647 8.988 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.890 -2.262 10.602 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.564 0.690 9.150 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.234 0.878 8.587 1.00 0.00 C ATOM 1620 C LEU A 104 -1.498 2.003 9.304 1.00 0.00 C ATOM 1621 O LEU A 104 -0.296 1.913 9.550 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.325 1.180 7.090 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.328 -0.051 6.181 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.631 0.348 4.745 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.993 -0.775 6.266 1.00 0.00 C ATOM 0 H LEU A 104 -4.328 0.847 8.493 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.673 -0.046 8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.234 1.752 6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.485 1.817 6.811 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.110 -0.730 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.629 -0.540 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.610 0.824 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.871 1.046 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.011 -1.648 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.194 -0.103 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.816 -1.093 7.294 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.228 3.060 9.641 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.644 4.202 10.335 1.00 0.00 C ATOM 1639 C GLN A 105 -1.127 3.798 11.710 1.00 0.00 C ATOM 1640 O GLN A 105 -0.203 4.413 12.243 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.672 5.328 10.468 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.469 6.459 9.474 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.379 7.642 9.742 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -3.491 8.110 10.876 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -4.038 8.130 8.698 1.00 0.00 N ATOM 0 H GLN A 105 -3.225 3.150 9.445 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.801 4.561 9.744 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.671 4.914 10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.627 5.732 11.479 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.431 6.788 9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.650 6.088 8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.915 7.711 7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.667 8.924 8.818 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.729 2.763 12.278 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.333 2.275 13.593 1.00 0.00 C ATOM 1656 C GLN A 106 0.039 1.608 13.542 1.00 0.00 C ATOM 1657 O GLN A 106 0.811 1.682 14.498 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.371 1.287 14.128 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.719 1.922 14.423 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.753 0.913 14.883 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.580 -0.293 14.708 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.836 1.401 15.475 1.00 0.00 N ATOM 0 H GLN A 106 -2.495 2.244 11.849 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.274 3.132 14.264 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.507 0.487 13.401 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.988 0.828 15.039 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.596 2.686 15.191 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.082 2.426 13.527 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.939 2.408 15.600 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.565 0.769 15.805 1.00 0.00 H new ATOM 1671 N ILE A 107 0.335 0.950 12.423 1.00 0.00 N ATOM 1672 CA ILE A 107 1.612 0.267 12.256 1.00 0.00 C ATOM 1673 C ILE A 107 2.748 1.254 12.019 1.00 0.00 C ATOM 1674 O ILE A 107 3.809 1.147 12.634 1.00 0.00 O ATOM 1675 CB ILE A 107 1.557 -0.747 11.093 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.431 -1.758 11.326 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.893 -1.460 10.941 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.489 -1.923 10.137 1.00 0.00 C ATOM 0 H ILE A 107 -0.292 0.876 11.621 1.00 0.00 H new ATOM 0 HA ILE A 107 1.806 -0.270 13.184 1.00 0.00 H new ATOM 0 HB ILE A 107 1.353 -0.206 10.169 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.868 -2.725 11.574 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.156 -1.443 12.189 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.834 -2.171 10.116 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.674 -0.729 10.735 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.128 -1.992 11.863 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.262 -2.654 10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.954 -0.966 9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.086 -2.268 9.277 1.00 0.00 H new ATOM 1690 N ILE A 108 2.524 2.223 11.138 1.00 0.00 N ATOM 1691 CA ILE A 108 3.546 3.229 10.849 1.00 0.00 C ATOM 1692 C ILE A 108 3.948 3.922 12.130 1.00 0.00 C ATOM 1693 O ILE A 108 5.099 3.867 12.562 1.00 0.00 O ATOM 1694 CB ILE A 108 3.059 4.312 9.866 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.177 3.718 8.771 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.246 5.041 9.258 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.157 4.696 8.238 1.00 0.00 C ATOM 0 H ILE A 108 1.655 2.335 10.616 1.00 0.00 H new ATOM 0 HA ILE A 108 4.383 2.700 10.393 1.00 0.00 H new ATOM 0 HB ILE A 108 2.454 5.026 10.425 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.807 3.376 7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.661 2.842 9.163 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.889 5.803 8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.827 5.514 10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.874 4.330 8.722 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.561 4.214 7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.504 5.019 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.668 5.562 7.817 1.00 0.00 H new ATOM 1709 N SER A 109 2.966 4.563 12.730 1.00 0.00 N ATOM 1710 CA SER A 109 3.163 5.280 13.984 1.00 0.00 C ATOM 1711 C SER A 109 3.881 4.401 15.003 1.00 0.00 C ATOM 1712 O SER A 109 4.601 4.896 15.869 1.00 0.00 O ATOM 1713 CB SER A 109 1.821 5.748 14.548 1.00 0.00 C ATOM 1714 OG SER A 109 2.004 6.558 15.696 1.00 0.00 O ATOM 0 H SER A 109 2.013 4.605 12.369 1.00 0.00 H new ATOM 0 HA SER A 109 3.784 6.153 13.782 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.279 6.309 13.787 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.209 4.883 14.803 1.00 0.00 H new ATOM 0 HG SER A 109 1.131 6.845 16.036 1.00 0.00 H new ATOM 1720 N ARG A 110 3.681 3.092 14.884 1.00 0.00 N ATOM 1721 CA ARG A 110 4.313 2.140 15.789 1.00 0.00 C ATOM 1722 C ARG A 110 5.820 2.117 15.576 1.00 0.00 C ATOM 1723 O ARG A 110 6.593 1.956 16.521 1.00 0.00 O ATOM 1724 CB ARG A 110 3.731 0.739 15.578 1.00 0.00 C ATOM 1725 CG ARG A 110 2.921 0.230 16.758 1.00 0.00 C ATOM 1726 CD ARG A 110 2.490 -1.213 16.553 1.00 0.00 C ATOM 1727 NE ARG A 110 1.588 -1.670 17.610 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.984 -1.965 18.845 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.263 -1.853 19.185 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.099 -2.373 19.744 1.00 0.00 N ATOM 0 H ARG A 110 3.088 2.668 14.171 1.00 0.00 H new ATOM 0 HA ARG A 110 4.112 2.455 16.813 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.098 0.748 14.691 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.546 0.043 15.381 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.514 0.308 17.669 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.041 0.858 16.895 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.995 -1.310 15.587 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.371 -1.854 16.526 1.00 0.00 H new ATOM 0 HE ARG A 110 0.598 -1.768 17.387 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.948 -1.539 18.497 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.560 -2.081 20.134 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.115 -2.460 19.488 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.402 -2.599 20.691 1.00 0.00 H new ATOM 1744 N TYR A 111 6.224 2.284 14.328 1.00 0.00 N ATOM 1745 CA TYR A 111 7.639 2.290 13.972 1.00 0.00 C ATOM 1746 C TYR A 111 8.187 3.713 13.962 1.00 0.00 C ATOM 1747 O TYR A 111 9.355 3.940 14.271 1.00 0.00 O ATOM 1748 CB TYR A 111 7.848 1.634 12.607 1.00 0.00 C ATOM 1749 CG TYR A 111 7.571 0.147 12.603 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.505 -0.753 13.104 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.377 -0.356 12.104 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.255 -2.112 13.104 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.120 -1.714 12.103 1.00 0.00 C ATOM 1754 CZ TYR A 111 7.061 -2.587 12.604 1.00 0.00 C ATOM 1755 OH TYR A 111 6.809 -3.939 12.605 1.00 0.00 O ATOM 0 H TYR A 111 5.592 2.418 13.539 1.00 0.00 H new ATOM 0 HA TYR A 111 8.182 1.717 14.723 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.199 2.118 11.877 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.875 1.805 12.284 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.440 -0.384 13.499 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.637 0.325 11.710 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.991 -2.799 13.494 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.186 -2.089 11.711 1.00 0.00 H new ATOM 0 HH TYR A 111 5.928 -4.107 13.000 1.00 0.00 H new ATOM 1765 N LYS A 112 7.330 4.666 13.611 1.00 0.00 N ATOM 1766 CA LYS A 112 7.726 6.068 13.568 1.00 0.00 C ATOM 1767 C LYS A 112 8.062 6.572 14.968 1.00 0.00 C ATOM 1768 O LYS A 112 8.979 7.374 15.149 1.00 0.00 O ATOM 1769 CB LYS A 112 6.610 6.919 12.958 1.00 0.00 C ATOM 1770 CG LYS A 112 6.977 7.524 11.613 1.00 0.00 C ATOM 1771 CD LYS A 112 6.023 7.080 10.518 1.00 0.00 C ATOM 1772 CE LYS A 112 5.551 8.255 9.676 1.00 0.00 C ATOM 1773 NZ LYS A 112 4.098 8.527 9.860 1.00 0.00 N ATOM 0 H LYS A 112 6.359 4.493 13.353 1.00 0.00 H new ATOM 0 HA LYS A 112 8.615 6.154 12.943 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.718 6.304 12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.355 7.721 13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.965 8.611 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.994 7.234 11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.517 6.349 9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.162 6.583 10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.123 9.144 9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.751 8.050 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.818 9.335 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.550 7.688 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.910 8.748 10.859 1.00 0.00 H new