USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 869 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 83 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 LYS NZ :NH3+ -156:sc= 0.0539 (180deg=0.000728) USER MOD Set 2.1: A 85 MET CE :methyl 165:sc= -0.0796 (180deg=-0.43) USER MOD Set 2.2: A 103 THR OG1 : rot -130:sc= -0.192 USER MOD Set 3.1: A 23 THR OG1 : rot 180:sc= 0.0446 USER MOD Set 3.2: A 72 ASN : amide:sc= -0.494 K(o=-0.45,f=-1.2!) USER MOD Set 4.1: A 54 SER OG : rot -79:sc= 0.572 USER MOD Set 4.2: A 55 ASN : amide:sc= 0.299 K(o=0.87,f=-5.1!) USER MOD Set 5.1: A 40 SER OG : rot -38:sc= 0.475 USER MOD Set 5.2: A 48 SER OG : rot -53:sc= 1.67 USER MOD Set 6.1: A 45 ASN : amide:sc= 0.118 K(o=1.4,f=-2.1!) USER MOD Set 6.2: A 66 THR OG1 : rot -65:sc= 1.25 USER MOD Set 6.3: A 68 MET CE :methyl -116:sc= 0 (180deg=0) USER MOD Set 7.1: A 43 MET CE :methyl 133:sc= -0.279 (180deg=-1.01) USER MOD Set 7.2: A 110 TYR OH : rot -148:sc= 0.00273 USER MOD Set 8.1: A 3 THR OG1 : rot 180:sc= 0.28 USER MOD Set 8.2: A 6 GLN :FLIP amide:sc= 0.253 F(o=-1.5,f=0.53) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.242 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.05) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.108 F(o=-1.8,f=-0.11) USER MOD Single : A 10 HIS : no HE2:sc= 0.484 K(o=0.48,f=-3.3!) USER MOD Single : A 16 SER OG : rot -57:sc= 1.27 USER MOD Single : A 18 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.47) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 149:sc= 1.19 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00525 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -161:sc= -0.398 (180deg=-1.22) USER MOD Single : A 38 MET CE :methyl -170:sc=-0.00319 (180deg=-0.286) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -166:sc=-0.000971 (180deg=-0.308) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -158:sc= -0.837 (180deg=-1.68!) USER MOD Single : A 69 MET CE :methyl 139:sc= -0.0542 (180deg=-0.224) USER MOD Single : A 74 GLN : amide:sc= 0.128 K(o=0.13,f=-1.4) USER MOD Single : A 76 ASN : amide:sc=-0.00957 K(o=-0.0096,f=-0.81) USER MOD Single : A 80 ASN : amide:sc= -0.0621 X(o=-0.062,f=-0.47) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.6) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.181 F(o=-0.84,f=-0.18) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.186 1.084 -6.711 1.00 0.00 N ATOM 2 CA MET A 1 16.757 0.835 -6.668 1.00 0.00 C ATOM 3 C MET A 1 16.212 1.145 -5.273 1.00 0.00 C ATOM 4 O MET A 1 16.982 1.381 -4.334 1.00 0.00 O ATOM 5 CB MET A 1 16.438 -0.615 -7.070 1.00 0.00 C ATOM 6 CG MET A 1 17.052 -1.674 -6.139 1.00 0.00 C ATOM 7 SD MET A 1 18.616 -2.385 -6.715 1.00 0.00 S ATOM 8 CE MET A 1 17.934 -3.764 -7.672 1.00 0.00 C ATOM 0 H1 MET A 1 18.394 1.785 -7.451 1.00 0.00 H new ATOM 0 H2 MET A 1 18.503 1.449 -5.790 1.00 0.00 H new ATOM 0 H3 MET A 1 18.687 0.197 -6.923 1.00 0.00 H new ATOM 0 HA MET A 1 16.270 1.493 -7.387 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.356 -0.746 -7.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.797 -0.787 -8.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.213 -1.225 -5.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.331 -2.480 -6.005 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.748 -4.336 -8.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.353 -4.411 -7.015 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.290 -3.376 -8.461 1.00 0.00 H new ATOM 18 N VAL A 2 14.888 1.070 -5.146 1.00 0.00 N ATOM 19 CA VAL A 2 14.182 1.231 -3.893 1.00 0.00 C ATOM 20 C VAL A 2 14.729 0.233 -2.872 1.00 0.00 C ATOM 21 O VAL A 2 15.051 -0.909 -3.213 1.00 0.00 O ATOM 22 CB VAL A 2 12.669 1.112 -4.160 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.254 -0.222 -4.788 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.818 1.350 -2.908 1.00 0.00 C ATOM 0 H VAL A 2 14.269 0.891 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 2 14.342 2.217 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 2 12.476 1.906 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.175 -0.230 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.761 -0.347 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.529 -1.039 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.762 1.252 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.078 0.615 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.008 2.352 -2.524 1.00 0.00 H new ATOM 34 N THR A 3 14.818 0.657 -1.618 1.00 0.00 N ATOM 35 CA THR A 3 15.369 -0.114 -0.515 1.00 0.00 C ATOM 36 C THR A 3 14.395 -0.074 0.662 1.00 0.00 C ATOM 37 O THR A 3 13.503 0.773 0.698 1.00 0.00 O ATOM 38 CB THR A 3 16.762 0.433 -0.142 1.00 0.00 C ATOM 39 OG1 THR A 3 16.912 1.810 -0.391 1.00 0.00 O ATOM 40 CG2 THR A 3 17.856 -0.289 -0.906 1.00 0.00 C ATOM 0 H THR A 3 14.496 1.582 -1.332 1.00 0.00 H new ATOM 0 HA THR A 3 15.498 -1.157 -0.805 1.00 0.00 H new ATOM 0 HB THR A 3 16.850 0.261 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.814 2.093 -0.132 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.827 0.118 -0.623 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.825 -1.352 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.704 -0.152 -1.977 1.00 0.00 H new ATOM 48 N PRO A 4 14.526 -0.983 1.642 1.00 0.00 N ATOM 49 CA PRO A 4 13.621 -1.033 2.783 1.00 0.00 C ATOM 50 C PRO A 4 13.742 0.208 3.652 1.00 0.00 C ATOM 51 O PRO A 4 12.792 0.623 4.315 1.00 0.00 O ATOM 52 CB PRO A 4 14.038 -2.268 3.576 1.00 0.00 C ATOM 53 CG PRO A 4 15.466 -2.545 3.155 1.00 0.00 C ATOM 54 CD PRO A 4 15.518 -2.043 1.719 1.00 0.00 C ATOM 0 HA PRO A 4 12.583 -1.077 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.971 -2.088 4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.390 -3.116 3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.180 -2.020 3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.704 -3.607 3.218 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.511 -1.670 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.292 -2.844 1.015 1.00 0.00 H new ATOM 62 N GLU A 5 14.956 0.724 3.739 1.00 0.00 N ATOM 63 CA GLU A 5 15.311 1.868 4.557 1.00 0.00 C ATOM 64 C GLU A 5 14.485 3.096 4.157 1.00 0.00 C ATOM 65 O GLU A 5 13.751 3.627 4.990 1.00 0.00 O ATOM 66 CB GLU A 5 16.811 2.122 4.408 1.00 0.00 C ATOM 67 CG GLU A 5 17.300 2.984 5.575 1.00 0.00 C ATOM 68 CD GLU A 5 18.761 3.411 5.453 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.450 3.011 4.484 1.00 0.00 O ATOM 70 OE2 GLU A 5 19.198 4.185 6.333 1.00 0.00 O ATOM 0 H GLU A 5 15.749 0.343 3.223 1.00 0.00 H new ATOM 0 HA GLU A 5 15.087 1.665 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.351 1.175 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.014 2.623 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.675 3.874 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.169 2.430 6.504 1.00 0.00 H new ATOM 77 N GLN A 6 14.516 3.481 2.872 1.00 0.00 N ATOM 78 CA GLN A 6 13.756 4.601 2.302 1.00 0.00 C ATOM 79 C GLN A 6 12.230 4.383 2.306 1.00 0.00 C ATOM 80 O GLN A 6 11.504 5.131 1.650 1.00 0.00 O ATOM 81 CB GLN A 6 14.291 4.959 0.898 1.00 0.00 C ATOM 82 CG GLN A 6 14.078 3.856 -0.147 1.00 0.00 C ATOM 83 CD GLN A 6 14.702 4.145 -1.514 1.00 0.00 C ATOM 84 OE1 GLN A 6 13.926 4.535 -2.506 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 15.868 3.864 -1.745 1.00 0.00 N flip ATOM 0 H GLN A 6 15.091 3.004 2.178 1.00 0.00 H new ATOM 0 HA GLN A 6 13.916 5.455 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.802 5.871 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.357 5.177 0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.493 2.924 0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.007 3.699 -0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.479 3.561 -0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.230 3.932 -2.696 1.00 0.00 H new ATOM 94 N LEU A 7 11.737 3.374 3.029 1.00 0.00 N ATOM 95 CA LEU A 7 10.332 3.037 3.194 1.00 0.00 C ATOM 96 C LEU A 7 9.964 2.997 4.672 1.00 0.00 C ATOM 97 O LEU A 7 8.964 3.600 5.046 1.00 0.00 O ATOM 98 CB LEU A 7 10.036 1.676 2.556 1.00 0.00 C ATOM 99 CG LEU A 7 10.196 1.620 1.025 1.00 0.00 C ATOM 100 CD1 LEU A 7 9.865 0.207 0.533 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.302 2.627 0.296 1.00 0.00 C ATOM 0 H LEU A 7 12.348 2.738 3.542 1.00 0.00 H new ATOM 0 HA LEU A 7 9.735 3.804 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.697 0.932 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.016 1.388 2.809 1.00 0.00 H new ATOM 0 HG LEU A 7 11.230 1.881 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.977 0.163 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.544 -0.508 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.838 -0.041 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.458 2.541 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.257 2.421 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.553 3.637 0.619 1.00 0.00 H new ATOM 113 N GLN A 8 10.751 2.337 5.539 1.00 0.00 N ATOM 114 CA GLN A 8 10.415 2.192 6.965 1.00 0.00 C ATOM 115 C GLN A 8 10.187 3.503 7.706 1.00 0.00 C ATOM 116 O GLN A 8 9.684 3.499 8.824 1.00 0.00 O ATOM 117 CB GLN A 8 11.333 1.232 7.728 1.00 0.00 C ATOM 118 CG GLN A 8 12.839 1.336 7.600 1.00 0.00 C ATOM 119 CD GLN A 8 13.466 -0.038 7.804 1.00 0.00 C ATOM 120 OE1 GLN A 8 13.871 -0.431 8.898 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.458 -0.824 6.746 1.00 0.00 N ATOM 0 H GLN A 8 11.630 1.893 5.274 1.00 0.00 H new ATOM 0 HA GLN A 8 9.437 1.712 6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.093 1.333 8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.055 0.220 7.433 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.104 1.726 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.229 2.038 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.117 -0.472 5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.793 -1.784 6.822 1.00 0.00 H new ATOM 130 N HIS A 9 10.583 4.622 7.128 1.00 0.00 N ATOM 131 CA HIS A 9 10.533 5.930 7.751 1.00 0.00 C ATOM 132 C HIS A 9 9.750 6.930 6.886 1.00 0.00 C ATOM 133 O HIS A 9 9.851 8.132 7.136 1.00 0.00 O ATOM 134 CB HIS A 9 11.973 6.326 8.102 1.00 0.00 C ATOM 135 CG HIS A 9 12.511 5.651 9.356 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.523 4.309 9.664 1.00 0.00 N flip ATOM 137 CD2 HIS A 9 13.092 6.308 10.421 1.00 0.00 C flip ATOM 138 CE1 HIS A 9 13.127 4.153 10.913 1.00 0.00 C flip ATOM 139 NE2 HIS A 9 13.449 5.389 11.330 1.00 0.00 N flip ATOM 0 H HIS A 9 10.961 4.645 6.181 1.00 0.00 H new ATOM 0 HA HIS A 9 9.968 5.922 8.683 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.622 6.079 7.262 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.020 7.407 8.235 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.234 7.375 10.507 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.301 3.225 11.438 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.904 5.600 12.218 1.00 0.00 H new ATOM 147 N HIS A 10 8.955 6.452 5.914 1.00 0.00 N ATOM 148 CA HIS A 10 8.146 7.256 5.002 1.00 0.00 C ATOM 149 C HIS A 10 6.795 6.570 4.719 1.00 0.00 C ATOM 150 O HIS A 10 6.754 5.445 4.222 1.00 0.00 O ATOM 151 CB HIS A 10 8.911 7.447 3.691 1.00 0.00 C ATOM 152 CG HIS A 10 10.190 8.249 3.784 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.307 9.620 3.895 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.452 7.745 3.622 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.606 9.927 3.736 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.344 8.818 3.543 1.00 0.00 N ATOM 0 H HIS A 10 8.859 5.451 5.741 1.00 0.00 H new ATOM 0 HA HIS A 10 7.949 8.223 5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.150 6.464 3.286 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.250 7.935 2.975 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.547 10.279 4.066 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.713 6.699 3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.005 10.930 3.760 1.00 0.00 H new ATOM 164 N ARG A 11 5.681 7.240 5.025 1.00 0.00 N ATOM 165 CA ARG A 11 4.320 6.791 4.712 1.00 0.00 C ATOM 166 C ARG A 11 4.012 7.074 3.236 1.00 0.00 C ATOM 167 O ARG A 11 4.579 7.999 2.647 1.00 0.00 O ATOM 168 CB ARG A 11 3.316 7.508 5.635 1.00 0.00 C ATOM 169 CG ARG A 11 2.860 8.884 5.118 1.00 0.00 C ATOM 170 CD ARG A 11 2.107 9.747 6.129 1.00 0.00 C ATOM 171 NE ARG A 11 0.962 9.040 6.720 1.00 0.00 N ATOM 172 CZ ARG A 11 0.909 8.442 7.911 1.00 0.00 C ATOM 173 NH1 ARG A 11 1.991 8.332 8.673 1.00 0.00 N ATOM 174 NH2 ARG A 11 -0.249 7.962 8.340 1.00 0.00 N ATOM 0 H ARG A 11 5.701 8.136 5.512 1.00 0.00 H new ATOM 0 HA ARG A 11 4.235 5.717 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.440 6.872 5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.768 7.633 6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.737 9.434 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.221 8.733 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.790 10.055 6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.757 10.656 5.639 1.00 0.00 H new ATOM 0 HE ARG A 11 0.113 9.002 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.882 8.708 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.931 7.871 9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.084 8.052 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.305 7.502 9.249 1.00 0.00 H new ATOM 188 N PHE A 12 3.017 6.393 2.676 1.00 0.00 N ATOM 189 CA PHE A 12 2.616 6.537 1.282 1.00 0.00 C ATOM 190 C PHE A 12 1.097 6.505 1.153 1.00 0.00 C ATOM 191 O PHE A 12 0.444 5.632 1.712 1.00 0.00 O ATOM 192 CB PHE A 12 3.266 5.405 0.479 1.00 0.00 C ATOM 193 CG PHE A 12 4.697 5.711 0.103 1.00 0.00 C ATOM 194 CD1 PHE A 12 4.959 6.430 -1.077 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.758 5.334 0.947 1.00 0.00 C ATOM 196 CE1 PHE A 12 6.272 6.799 -1.401 1.00 0.00 C ATOM 197 CE2 PHE A 12 7.074 5.701 0.623 1.00 0.00 C ATOM 198 CZ PHE A 12 7.326 6.441 -0.544 1.00 0.00 C ATOM 0 H PHE A 12 2.456 5.713 3.189 1.00 0.00 H new ATOM 0 HA PHE A 12 2.949 7.499 0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.236 4.485 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.686 5.226 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.146 6.699 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.560 4.763 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.472 7.356 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.890 5.415 1.270 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.337 6.737 -0.784 1.00 0.00 H new ATOM 208 N VAL A 13 0.511 7.413 0.375 1.00 0.00 N ATOM 209 CA VAL A 13 -0.938 7.493 0.186 1.00 0.00 C ATOM 210 C VAL A 13 -1.285 7.328 -1.289 1.00 0.00 C ATOM 211 O VAL A 13 -0.510 7.728 -2.161 1.00 0.00 O ATOM 212 CB VAL A 13 -1.479 8.771 0.834 1.00 0.00 C ATOM 213 CG1 VAL A 13 -0.985 10.022 0.113 1.00 0.00 C ATOM 214 CG2 VAL A 13 -3.005 8.798 0.931 1.00 0.00 C ATOM 0 H VAL A 13 1.031 8.119 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.440 6.670 0.695 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.087 8.767 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.390 10.908 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.104 10.055 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.315 9.998 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.323 9.729 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.434 8.729 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.346 7.955 1.532 1.00 0.00 H new ATOM 224 N LEU A 14 -2.410 6.668 -1.557 1.00 0.00 N ATOM 225 CA LEU A 14 -2.814 6.209 -2.880 1.00 0.00 C ATOM 226 C LEU A 14 -3.405 7.358 -3.689 1.00 0.00 C ATOM 227 O LEU A 14 -4.616 7.562 -3.723 1.00 0.00 O ATOM 228 CB LEU A 14 -3.801 5.045 -2.724 1.00 0.00 C ATOM 229 CG LEU A 14 -4.288 4.391 -4.026 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.124 3.940 -4.905 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.127 3.159 -3.675 1.00 0.00 C ATOM 0 H LEU A 14 -3.087 6.431 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.945 5.852 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.331 4.277 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.671 5.405 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.871 5.130 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.511 3.483 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.509 4.802 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.519 3.213 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.479 2.685 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.517 2.452 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.983 3.461 -3.071 1.00 0.00 H new ATOM 243 N GLU A 15 -2.530 8.098 -4.362 1.00 0.00 N ATOM 244 CA GLU A 15 -2.888 9.190 -5.257 1.00 0.00 C ATOM 245 C GLU A 15 -3.862 8.716 -6.340 1.00 0.00 C ATOM 246 O GLU A 15 -4.836 9.412 -6.644 1.00 0.00 O ATOM 247 CB GLU A 15 -1.603 9.764 -5.883 1.00 0.00 C ATOM 248 CG GLU A 15 -1.270 11.155 -5.340 1.00 0.00 C ATOM 249 CD GLU A 15 -2.276 12.227 -5.774 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.339 12.547 -6.984 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.897 12.856 -4.894 1.00 0.00 O ATOM 0 H GLU A 15 -1.523 7.949 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.393 9.971 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.771 9.089 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.720 9.816 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.238 11.115 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.274 11.442 -5.678 1.00 0.00 H new ATOM 258 N SER A 16 -3.637 7.532 -6.921 1.00 0.00 N ATOM 259 CA SER A 16 -4.576 6.962 -7.870 1.00 0.00 C ATOM 260 C SER A 16 -4.449 5.446 -7.918 1.00 0.00 C ATOM 261 O SER A 16 -3.350 4.883 -7.932 1.00 0.00 O ATOM 262 CB SER A 16 -4.315 7.574 -9.252 1.00 0.00 C ATOM 263 OG SER A 16 -5.293 7.219 -10.221 1.00 0.00 O ATOM 0 H SER A 16 -2.812 6.958 -6.746 1.00 0.00 H new ATOM 0 HA SER A 16 -5.594 7.193 -7.555 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.283 8.660 -9.160 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.334 7.255 -9.603 1.00 0.00 H new ATOM 0 HG SER A 16 -5.335 6.243 -10.301 1.00 0.00 H new ATOM 269 N VAL A 17 -5.603 4.802 -8.072 1.00 0.00 N ATOM 270 CA VAL A 17 -5.711 3.439 -8.567 1.00 0.00 C ATOM 271 C VAL A 17 -5.270 3.453 -10.041 1.00 0.00 C ATOM 272 O VAL A 17 -5.110 4.521 -10.651 1.00 0.00 O ATOM 273 CB VAL A 17 -7.169 2.941 -8.360 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.387 1.472 -8.760 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.600 3.127 -6.894 1.00 0.00 C ATOM 0 H VAL A 17 -6.505 5.224 -7.851 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.069 2.742 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.782 3.551 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.428 1.198 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.149 1.343 -9.816 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.739 0.832 -8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.623 2.773 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.936 2.557 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.546 4.183 -6.630 1.00 0.00 H new ATOM 285 N ASN A 18 -5.121 2.266 -10.635 1.00 0.00 N ATOM 286 CA ASN A 18 -4.897 2.086 -12.066 1.00 0.00 C ATOM 287 C ASN A 18 -5.862 2.933 -12.895 1.00 0.00 C ATOM 288 O ASN A 18 -5.439 3.551 -13.871 1.00 0.00 O ATOM 289 CB ASN A 18 -4.979 0.591 -12.460 1.00 0.00 C ATOM 290 CG ASN A 18 -6.287 0.201 -13.140 1.00 0.00 C ATOM 291 OD1 ASN A 18 -6.447 0.379 -14.344 1.00 0.00 O ATOM 292 ND2 ASN A 18 -7.260 -0.277 -12.385 1.00 0.00 N ATOM 0 H ASN A 18 -5.154 1.386 -10.120 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.888 2.433 -12.287 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.150 0.355 -13.127 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.851 -0.018 -11.565 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.163 -0.505 -12.801 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.108 -0.418 -11.386 1.00 0.00 H new ATOM 299 N GLY A 19 -7.136 2.928 -12.506 1.00 0.00 N ATOM 300 CA GLY A 19 -8.229 3.427 -13.311 1.00 0.00 C ATOM 301 C GLY A 19 -8.419 4.915 -13.105 1.00 0.00 C ATOM 302 O GLY A 19 -8.367 5.667 -14.076 1.00 0.00 O ATOM 0 H GLY A 19 -7.435 2.567 -11.600 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.032 3.224 -14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.147 2.900 -13.051 1.00 0.00 H new ATOM 306 N LYS A 20 -8.668 5.309 -11.852 1.00 0.00 N ATOM 307 CA LYS A 20 -9.022 6.657 -11.426 1.00 0.00 C ATOM 308 C LYS A 20 -8.511 6.921 -10.010 1.00 0.00 C ATOM 309 O LYS A 20 -8.145 5.968 -9.309 1.00 0.00 O ATOM 310 CB LYS A 20 -10.553 6.857 -11.522 1.00 0.00 C ATOM 311 CG LYS A 20 -10.940 7.187 -12.970 1.00 0.00 C ATOM 312 CD LYS A 20 -12.120 8.154 -13.118 1.00 0.00 C ATOM 313 CE LYS A 20 -12.118 8.653 -14.571 1.00 0.00 C ATOM 314 NZ LYS A 20 -12.715 9.992 -14.719 1.00 0.00 N ATOM 0 H LYS A 20 -8.624 4.657 -11.069 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.544 7.379 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.069 5.955 -11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.867 7.663 -10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.073 7.615 -13.474 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.183 6.258 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.060 7.653 -12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.023 8.989 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.093 8.675 -14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.666 7.946 -15.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.686 10.276 -15.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.703 9.970 -14.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.178 10.676 -14.149 1.00 0.00 H new ATOM 328 N PRO A 21 -8.494 8.190 -9.561 1.00 0.00 N ATOM 329 CA PRO A 21 -8.350 8.508 -8.149 1.00 0.00 C ATOM 330 C PRO A 21 -9.430 7.830 -7.297 1.00 0.00 C ATOM 331 O PRO A 21 -10.396 7.239 -7.798 1.00 0.00 O ATOM 332 CB PRO A 21 -8.411 10.035 -8.057 1.00 0.00 C ATOM 333 CG PRO A 21 -9.182 10.446 -9.308 1.00 0.00 C ATOM 334 CD PRO A 21 -8.721 9.409 -10.328 1.00 0.00 C ATOM 0 HA PRO A 21 -7.407 8.132 -7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.919 10.361 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.414 10.475 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.260 10.411 -9.151 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.938 11.461 -9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.475 9.254 -11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.810 9.731 -10.833 1.00 0.00 H new ATOM 342 N VAL A 22 -9.255 7.927 -5.984 1.00 0.00 N ATOM 343 CA VAL A 22 -10.134 7.342 -4.985 1.00 0.00 C ATOM 344 C VAL A 22 -10.523 8.430 -3.989 1.00 0.00 C ATOM 345 O VAL A 22 -9.736 9.338 -3.706 1.00 0.00 O ATOM 346 CB VAL A 22 -9.450 6.097 -4.372 1.00 0.00 C ATOM 347 CG1 VAL A 22 -8.034 6.360 -3.831 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.303 5.434 -3.280 1.00 0.00 C ATOM 0 H VAL A 22 -8.470 8.433 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.068 6.975 -5.412 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.353 5.410 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.625 5.438 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.394 6.711 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.078 7.118 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.776 4.566 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.483 6.147 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.256 5.118 -3.704 1.00 0.00 H new ATOM 358 N THR A 23 -11.738 8.343 -3.457 1.00 0.00 N ATOM 359 CA THR A 23 -12.282 9.270 -2.481 1.00 0.00 C ATOM 360 C THR A 23 -12.413 8.565 -1.129 1.00 0.00 C ATOM 361 O THR A 23 -12.712 7.370 -1.045 1.00 0.00 O ATOM 362 CB THR A 23 -13.615 9.839 -3.009 1.00 0.00 C ATOM 363 OG1 THR A 23 -14.343 8.856 -3.732 1.00 0.00 O ATOM 364 CG2 THR A 23 -13.352 11.036 -3.931 1.00 0.00 C ATOM 0 H THR A 23 -12.390 7.599 -3.704 1.00 0.00 H new ATOM 0 HA THR A 23 -11.614 10.118 -2.329 1.00 0.00 H new ATOM 0 HB THR A 23 -14.203 10.154 -2.147 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.184 9.243 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.301 11.429 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.827 11.814 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.741 10.717 -4.776 1.00 0.00 H new ATOM 372 N SER A 24 -12.198 9.324 -0.061 1.00 0.00 N ATOM 373 CA SER A 24 -12.321 8.946 1.320 1.00 0.00 C ATOM 374 C SER A 24 -12.708 10.217 2.048 1.00 0.00 C ATOM 375 O SER A 24 -12.291 11.317 1.683 1.00 0.00 O ATOM 376 CB SER A 24 -11.052 8.343 1.909 1.00 0.00 C ATOM 377 OG SER A 24 -11.394 7.874 3.200 1.00 0.00 O ATOM 0 H SER A 24 -11.910 10.298 -0.160 1.00 0.00 H new ATOM 0 HA SER A 24 -13.064 8.155 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.683 7.529 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.258 9.087 1.964 1.00 0.00 H new ATOM 0 HG SER A 24 -10.850 7.088 3.417 1.00 0.00 H new ATOM 383 N ASP A 25 -13.642 10.078 2.970 1.00 0.00 N ATOM 384 CA ASP A 25 -14.036 11.127 3.895 1.00 0.00 C ATOM 385 C ASP A 25 -12.825 11.764 4.587 1.00 0.00 C ATOM 386 O ASP A 25 -12.596 12.970 4.447 1.00 0.00 O ATOM 387 CB ASP A 25 -15.033 10.576 4.912 1.00 0.00 C ATOM 388 CG ASP A 25 -15.600 11.721 5.737 1.00 0.00 C ATOM 389 OD1 ASP A 25 -16.205 12.633 5.128 1.00 0.00 O ATOM 390 OD2 ASP A 25 -15.433 11.708 6.978 1.00 0.00 O ATOM 0 H ASP A 25 -14.162 9.210 3.101 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.520 11.919 3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.838 10.049 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.542 9.852 5.563 1.00 0.00 H new ATOM 395 N LYS A 26 -12.038 10.959 5.309 1.00 0.00 N ATOM 396 CA LYS A 26 -10.894 11.441 6.096 1.00 0.00 C ATOM 397 C LYS A 26 -9.795 10.393 6.302 1.00 0.00 C ATOM 398 O LYS A 26 -8.753 10.711 6.868 1.00 0.00 O ATOM 399 CB LYS A 26 -11.403 12.005 7.445 1.00 0.00 C ATOM 400 CG LYS A 26 -10.936 13.454 7.670 1.00 0.00 C ATOM 401 CD LYS A 26 -11.618 14.075 8.895 1.00 0.00 C ATOM 402 CE LYS A 26 -11.207 15.541 9.084 1.00 0.00 C ATOM 403 NZ LYS A 26 -11.915 16.181 10.216 1.00 0.00 N ATOM 0 H LYS A 26 -12.176 9.950 5.365 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.417 12.234 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.492 11.966 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.045 11.377 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.854 13.473 7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.158 14.051 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.700 14.011 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.357 13.505 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.132 15.596 9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.414 16.095 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.605 17.170 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.940 16.154 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.697 15.670 11.095 1.00 0.00 H new ATOM 417 N ASN A 27 -9.987 9.156 5.836 1.00 0.00 N ATOM 418 CA ASN A 27 -9.050 8.052 6.039 1.00 0.00 C ATOM 419 C ASN A 27 -8.737 7.459 4.673 1.00 0.00 C ATOM 420 O ASN A 27 -9.430 6.532 4.245 1.00 0.00 O ATOM 421 CB ASN A 27 -9.640 6.992 6.976 1.00 0.00 C ATOM 422 CG ASN A 27 -9.504 7.375 8.435 1.00 0.00 C ATOM 423 OD1 ASN A 27 -8.418 7.304 9.002 1.00 0.00 O ATOM 424 ND2 ASN A 27 -10.575 7.781 9.083 1.00 0.00 N ATOM 0 H ASN A 27 -10.812 8.891 5.298 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.138 8.415 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.694 6.846 6.738 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.139 6.039 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.508 8.041 10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.472 7.836 8.601 1.00 0.00 H new ATOM 431 N PRO A 28 -7.794 8.027 3.910 1.00 0.00 N ATOM 432 CA PRO A 28 -7.504 7.550 2.569 1.00 0.00 C ATOM 433 C PRO A 28 -6.921 6.135 2.614 1.00 0.00 C ATOM 434 O PRO A 28 -6.406 5.717 3.656 1.00 0.00 O ATOM 435 CB PRO A 28 -6.499 8.542 1.981 1.00 0.00 C ATOM 436 CG PRO A 28 -5.820 9.137 3.211 1.00 0.00 C ATOM 437 CD PRO A 28 -6.936 9.144 4.251 1.00 0.00 C ATOM 0 HA PRO A 28 -8.405 7.493 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.781 8.046 1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.994 9.309 1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.971 8.534 3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.443 10.141 3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.534 9.036 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.488 10.084 4.227 1.00 0.00 H new ATOM 445 N PRO A 29 -6.925 5.419 1.481 1.00 0.00 N ATOM 446 CA PRO A 29 -6.098 4.243 1.302 1.00 0.00 C ATOM 447 C PRO A 29 -4.626 4.675 1.322 1.00 0.00 C ATOM 448 O PRO A 29 -4.016 4.946 0.291 1.00 0.00 O ATOM 449 CB PRO A 29 -6.575 3.590 0.001 1.00 0.00 C ATOM 450 CG PRO A 29 -7.282 4.700 -0.768 1.00 0.00 C ATOM 451 CD PRO A 29 -7.662 5.745 0.273 1.00 0.00 C ATOM 0 HA PRO A 29 -6.184 3.501 2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.737 3.189 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.251 2.759 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.629 5.126 -1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.165 4.320 -1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.411 6.747 -0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.736 5.732 0.460 1.00 0.00 H new ATOM 459 N GLU A 30 -4.051 4.789 2.515 1.00 0.00 N ATOM 460 CA GLU A 30 -2.626 4.975 2.723 1.00 0.00 C ATOM 461 C GLU A 30 -2.034 3.648 3.227 1.00 0.00 C ATOM 462 O GLU A 30 -2.746 2.755 3.712 1.00 0.00 O ATOM 463 CB GLU A 30 -2.350 6.196 3.623 1.00 0.00 C ATOM 464 CG GLU A 30 -2.483 5.931 5.124 1.00 0.00 C ATOM 465 CD GLU A 30 -2.232 7.175 5.986 1.00 0.00 C ATOM 466 OE1 GLU A 30 -1.442 8.075 5.624 1.00 0.00 O ATOM 467 OE2 GLU A 30 -2.771 7.217 7.120 1.00 0.00 O ATOM 0 H GLU A 30 -4.581 4.753 3.385 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.119 5.217 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.342 6.558 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.038 6.996 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.483 5.550 5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.779 5.150 5.412 1.00 0.00 H new ATOM 474 N ILE A 31 -0.719 3.533 3.117 1.00 0.00 N ATOM 475 CA ILE A 31 0.109 2.426 3.543 1.00 0.00 C ATOM 476 C ILE A 31 1.346 3.060 4.170 1.00 0.00 C ATOM 477 O ILE A 31 1.893 4.022 3.632 1.00 0.00 O ATOM 478 CB ILE A 31 0.422 1.512 2.331 1.00 0.00 C ATOM 479 CG1 ILE A 31 1.177 0.255 2.804 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.190 2.214 1.188 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.287 -0.806 1.703 1.00 0.00 C ATOM 0 H ILE A 31 -0.163 4.275 2.692 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.375 1.777 4.273 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.540 1.232 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.177 0.537 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.664 -0.171 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.368 1.504 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.600 3.050 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.144 2.583 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.827 -1.672 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.288 -1.110 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.824 -0.391 0.850 1.00 0.00 H new ATOM 493 N SER A 32 1.802 2.538 5.297 1.00 0.00 N ATOM 494 CA SER A 32 3.037 2.988 5.901 1.00 0.00 C ATOM 495 C SER A 32 3.868 1.760 6.241 1.00 0.00 C ATOM 496 O SER A 32 3.381 0.624 6.276 1.00 0.00 O ATOM 497 CB SER A 32 2.761 3.884 7.118 1.00 0.00 C ATOM 498 OG SER A 32 1.656 4.753 6.942 1.00 0.00 O ATOM 0 H SER A 32 1.328 1.796 5.812 1.00 0.00 H new ATOM 0 HA SER A 32 3.603 3.609 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.582 3.254 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.650 4.478 7.331 1.00 0.00 H new ATOM 0 HG SER A 32 1.533 5.293 7.750 1.00 0.00 H new ATOM 504 N PHE A 33 5.148 1.997 6.485 1.00 0.00 N ATOM 505 CA PHE A 33 6.099 0.961 6.819 1.00 0.00 C ATOM 506 C PHE A 33 6.866 1.436 8.041 1.00 0.00 C ATOM 507 O PHE A 33 6.797 2.613 8.412 1.00 0.00 O ATOM 508 CB PHE A 33 7.021 0.710 5.625 1.00 0.00 C ATOM 509 CG PHE A 33 6.311 0.533 4.295 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.736 -0.710 3.979 1.00 0.00 C ATOM 511 CD2 PHE A 33 6.201 1.611 3.391 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.074 -0.894 2.756 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.529 1.427 2.169 1.00 0.00 C ATOM 514 CZ PHE A 33 4.978 0.172 1.851 1.00 0.00 C ATOM 0 H PHE A 33 5.556 2.931 6.455 1.00 0.00 H new ATOM 0 HA PHE A 33 5.607 0.015 7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.717 1.545 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.615 -0.182 5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.804 -1.528 4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.630 2.571 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.640 -1.853 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.436 2.249 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.478 0.029 0.904 1.00 0.00 H new ATOM 524 N GLY A 34 7.595 0.531 8.678 1.00 0.00 N ATOM 525 CA GLY A 34 8.301 0.795 9.919 1.00 0.00 C ATOM 526 C GLY A 34 8.738 -0.521 10.500 1.00 0.00 C ATOM 527 O GLY A 34 7.953 -1.465 10.433 1.00 0.00 O ATOM 0 H GLY A 34 7.713 -0.424 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.164 1.435 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.654 1.324 10.619 1.00 0.00 H new ATOM 531 N GLU A 35 9.943 -0.552 11.072 1.00 0.00 N ATOM 532 CA GLU A 35 10.628 -1.703 11.644 1.00 0.00 C ATOM 533 C GLU A 35 10.833 -2.785 10.591 1.00 0.00 C ATOM 534 O GLU A 35 9.896 -3.464 10.197 1.00 0.00 O ATOM 535 CB GLU A 35 9.856 -2.262 12.841 1.00 0.00 C ATOM 536 CG GLU A 35 9.992 -1.423 14.111 1.00 0.00 C ATOM 537 CD GLU A 35 9.082 -1.947 15.234 1.00 0.00 C ATOM 538 OE1 GLU A 35 8.426 -3.007 15.068 1.00 0.00 O ATOM 539 OE2 GLU A 35 9.007 -1.318 16.311 1.00 0.00 O ATOM 0 H GLU A 35 10.505 0.295 11.151 1.00 0.00 H new ATOM 0 HA GLU A 35 11.605 -1.371 11.995 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.801 -2.337 12.578 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.206 -3.274 13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.029 -1.435 14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.740 -0.386 13.891 1.00 0.00 H new ATOM 546 N LYS A 36 12.069 -3.001 10.144 1.00 0.00 N ATOM 547 CA LYS A 36 12.420 -4.159 9.304 1.00 0.00 C ATOM 548 C LYS A 36 11.696 -4.231 7.945 1.00 0.00 C ATOM 549 O LYS A 36 11.750 -5.276 7.290 1.00 0.00 O ATOM 550 CB LYS A 36 12.158 -5.484 10.047 1.00 0.00 C ATOM 551 CG LYS A 36 12.543 -5.547 11.533 1.00 0.00 C ATOM 552 CD LYS A 36 12.182 -6.921 12.109 1.00 0.00 C ATOM 553 CE LYS A 36 13.106 -7.977 11.507 1.00 0.00 C ATOM 554 NZ LYS A 36 12.867 -9.314 12.063 1.00 0.00 N ATOM 0 H LYS A 36 12.856 -2.385 10.349 1.00 0.00 H new ATOM 0 HA LYS A 36 13.480 -4.014 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.096 -5.713 9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.696 -6.275 9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.611 -5.364 11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.024 -4.764 12.085 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.281 -6.911 13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.142 -7.160 11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.965 -8.006 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.143 -7.693 11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.518 -9.995 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.027 -9.296 13.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.886 -9.600 11.870 1.00 0.00 H new ATOM 568 N MET A 37 11.018 -3.166 7.505 1.00 0.00 N ATOM 569 CA MET A 37 9.994 -3.214 6.474 1.00 0.00 C ATOM 570 C MET A 37 8.839 -4.162 6.836 1.00 0.00 C ATOM 571 O MET A 37 8.406 -4.979 6.028 1.00 0.00 O ATOM 572 CB MET A 37 10.634 -3.461 5.092 1.00 0.00 C ATOM 573 CG MET A 37 10.755 -2.162 4.318 1.00 0.00 C ATOM 574 SD MET A 37 9.205 -1.354 3.865 1.00 0.00 S ATOM 575 CE MET A 37 8.415 -2.654 2.889 1.00 0.00 C ATOM 0 H MET A 37 11.175 -2.226 7.870 1.00 0.00 H new ATOM 0 HA MET A 37 9.512 -2.239 6.410 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.620 -3.909 5.217 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.030 -4.172 4.528 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.344 -1.463 4.912 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.318 -2.358 3.406 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.632 -2.218 2.268 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.158 -3.133 2.252 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.977 -3.396 3.557 1.00 0.00 H new ATOM 585 N MET A 38 8.279 -4.034 8.038 1.00 0.00 N ATOM 586 CA MET A 38 6.887 -4.347 8.308 1.00 0.00 C ATOM 587 C MET A 38 5.991 -3.407 7.497 1.00 0.00 C ATOM 588 O MET A 38 6.446 -2.385 6.978 1.00 0.00 O ATOM 589 CB MET A 38 6.629 -4.171 9.815 1.00 0.00 C ATOM 590 CG MET A 38 5.927 -5.371 10.432 1.00 0.00 C ATOM 591 SD MET A 38 4.162 -5.474 10.041 1.00 0.00 S ATOM 592 CE MET A 38 3.941 -7.258 10.075 1.00 0.00 C ATOM 0 H MET A 38 8.790 -3.706 8.858 1.00 0.00 H new ATOM 0 HA MET A 38 6.663 -5.374 8.021 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.578 -4.008 10.326 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.023 -3.279 9.974 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.418 -6.282 10.089 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.047 -5.332 11.515 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.956 -7.510 9.683 1.00 0.00 H new ATOM 0 HE2 MET A 38 4.708 -7.731 9.462 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.025 -7.616 11.101 1.00 0.00 H new ATOM 602 N ILE A 39 4.705 -3.744 7.435 1.00 0.00 N ATOM 603 CA ILE A 39 3.675 -3.015 6.713 1.00 0.00 C ATOM 604 C ILE A 39 2.482 -2.859 7.660 1.00 0.00 C ATOM 605 O ILE A 39 2.035 -3.846 8.259 1.00 0.00 O ATOM 606 CB ILE A 39 3.236 -3.791 5.442 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.374 -4.429 4.608 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.402 -2.841 4.568 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.835 -5.434 3.579 1.00 0.00 C ATOM 0 H ILE A 39 4.340 -4.570 7.909 1.00 0.00 H new ATOM 0 HA ILE A 39 4.056 -2.045 6.393 1.00 0.00 H new ATOM 0 HB ILE A 39 2.660 -4.647 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.930 -3.645 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.075 -4.932 5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.081 -3.363 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.527 -2.508 5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.006 -1.977 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.666 -5.858 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.301 -6.232 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.155 -4.926 2.896 1.00 0.00 H new ATOM 621 N SER A 40 1.911 -1.662 7.758 1.00 0.00 N ATOM 622 CA SER A 40 0.533 -1.471 8.192 1.00 0.00 C ATOM 623 C SER A 40 -0.123 -0.533 7.184 1.00 0.00 C ATOM 624 O SER A 40 0.537 0.306 6.575 1.00 0.00 O ATOM 625 CB SER A 40 0.458 -0.883 9.610 1.00 0.00 C ATOM 626 OG SER A 40 0.727 -1.865 10.590 1.00 0.00 O ATOM 0 H SER A 40 2.396 -0.792 7.537 1.00 0.00 H new ATOM 0 HA SER A 40 0.017 -2.430 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.173 -0.066 9.705 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.533 -0.460 9.778 1.00 0.00 H new ATOM 0 HG SER A 40 0.322 -2.716 10.320 1.00 0.00 H new ATOM 632 N GLY A 41 -1.431 -0.642 7.003 1.00 0.00 N ATOM 633 CA GLY A 41 -2.154 0.286 6.163 1.00 0.00 C ATOM 634 C GLY A 41 -3.626 -0.050 6.180 1.00 0.00 C ATOM 635 O GLY A 41 -4.061 -1.001 6.843 1.00 0.00 O ATOM 0 H GLY A 41 -2.009 -1.366 7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.000 1.306 6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.773 0.240 5.143 1.00 0.00 H new ATOM 639 N SER A 42 -4.406 0.754 5.469 1.00 0.00 N ATOM 640 CA SER A 42 -5.847 0.695 5.563 1.00 0.00 C ATOM 641 C SER A 42 -6.449 1.157 4.242 1.00 0.00 C ATOM 642 O SER A 42 -6.818 2.317 4.100 1.00 0.00 O ATOM 643 CB SER A 42 -6.288 1.523 6.789 1.00 0.00 C ATOM 644 OG SER A 42 -5.604 2.765 6.873 1.00 0.00 O ATOM 0 H SER A 42 -4.055 1.457 4.818 1.00 0.00 H new ATOM 0 HA SER A 42 -6.211 -0.320 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.361 1.704 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.107 0.948 7.697 1.00 0.00 H new ATOM 0 HG SER A 42 -5.915 3.257 7.662 1.00 0.00 H new ATOM 650 N MET A 43 -6.565 0.238 3.272 1.00 0.00 N ATOM 651 CA MET A 43 -7.325 0.515 2.056 1.00 0.00 C ATOM 652 C MET A 43 -8.770 0.803 2.446 1.00 0.00 C ATOM 653 O MET A 43 -9.385 1.760 1.991 1.00 0.00 O ATOM 654 CB MET A 43 -7.313 -0.669 1.076 1.00 0.00 C ATOM 655 CG MET A 43 -5.937 -1.104 0.572 1.00 0.00 C ATOM 656 SD MET A 43 -4.939 0.172 -0.244 1.00 0.00 S ATOM 657 CE MET A 43 -5.052 -0.402 -1.962 1.00 0.00 C ATOM 0 H MET A 43 -6.146 -0.691 3.309 1.00 0.00 H new ATOM 0 HA MET A 43 -6.861 1.367 1.558 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.787 -1.522 1.561 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.929 -0.409 0.215 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.370 -1.493 1.418 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.074 -1.930 -0.126 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.292 0.440 -2.612 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.098 -0.834 -2.265 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.834 -1.157 -2.043 1.00 0.00 H new ATOM 667 N CYS A 44 -9.274 -0.069 3.317 1.00 0.00 N ATOM 668 CA CYS A 44 -10.473 0.079 4.087 1.00 0.00 C ATOM 669 C CYS A 44 -10.325 -0.903 5.249 1.00 0.00 C ATOM 670 O CYS A 44 -10.119 -0.494 6.384 1.00 0.00 O ATOM 671 CB CYS A 44 -11.661 -0.315 3.221 1.00 0.00 C ATOM 672 SG CYS A 44 -13.090 -0.671 4.156 1.00 0.00 S ATOM 0 H CYS A 44 -8.809 -0.957 3.505 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.629 1.099 4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.881 0.494 2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.396 -1.188 2.624 1.00 0.00 H new ATOM 677 N ASN A 45 -10.329 -2.214 4.960 1.00 0.00 N ATOM 678 CA ASN A 45 -10.472 -3.306 5.935 1.00 0.00 C ATOM 679 C ASN A 45 -9.229 -3.571 6.783 1.00 0.00 C ATOM 680 O ASN A 45 -9.181 -4.575 7.491 1.00 0.00 O ATOM 681 CB ASN A 45 -10.906 -4.596 5.214 1.00 0.00 C ATOM 682 CG ASN A 45 -12.397 -4.820 5.388 1.00 0.00 C ATOM 683 OD1 ASN A 45 -12.868 -4.951 6.509 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.179 -4.803 4.332 1.00 0.00 N ATOM 0 H ASN A 45 -10.229 -2.555 4.004 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.239 -2.979 6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.663 -4.528 4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.354 -5.447 5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.188 -4.900 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.777 -4.693 3.401 1.00 0.00 H new ATOM 691 N ARG A 46 -8.237 -2.684 6.737 1.00 0.00 N ATOM 692 CA ARG A 46 -6.893 -2.848 7.288 1.00 0.00 C ATOM 693 C ARG A 46 -6.182 -4.079 6.745 1.00 0.00 C ATOM 694 O ARG A 46 -6.768 -4.952 6.115 1.00 0.00 O ATOM 695 CB ARG A 46 -6.930 -2.831 8.825 1.00 0.00 C ATOM 696 CG ARG A 46 -7.154 -1.413 9.359 1.00 0.00 C ATOM 697 CD ARG A 46 -5.873 -0.844 9.977 1.00 0.00 C ATOM 698 NE ARG A 46 -5.666 -1.416 11.312 1.00 0.00 N ATOM 699 CZ ARG A 46 -5.879 -0.839 12.495 1.00 0.00 C ATOM 700 NH1 ARG A 46 -6.283 0.423 12.587 1.00 0.00 N ATOM 701 NH2 ARG A 46 -5.680 -1.569 13.583 1.00 0.00 N ATOM 0 H ARG A 46 -8.357 -1.777 6.287 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.301 -1.995 6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.726 -3.486 9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.993 -3.227 9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.489 -0.765 8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.947 -1.424 10.106 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.019 -1.070 9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.942 0.242 10.044 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.316 -2.374 11.338 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.437 0.972 11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.439 0.843 13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.374 -2.538 13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.833 -1.162 14.506 1.00 0.00 H new ATOM 715 N PHE A 47 -4.875 -4.102 6.959 1.00 0.00 N ATOM 716 CA PHE A 47 -3.973 -5.176 6.572 1.00 0.00 C ATOM 717 C PHE A 47 -2.645 -4.947 7.286 1.00 0.00 C ATOM 718 O PHE A 47 -2.395 -3.858 7.817 1.00 0.00 O ATOM 719 CB PHE A 47 -3.799 -5.174 5.042 1.00 0.00 C ATOM 720 CG PHE A 47 -3.221 -3.897 4.452 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.830 -3.737 4.351 1.00 0.00 C ATOM 722 CD2 PHE A 47 -4.072 -2.859 4.015 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.293 -2.574 3.775 1.00 0.00 C ATOM 724 CE2 PHE A 47 -3.527 -1.709 3.413 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.139 -1.574 3.276 1.00 0.00 C ATOM 0 H PHE A 47 -4.392 -3.336 7.429 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.371 -6.150 6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.152 -6.007 4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.770 -5.359 4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.171 -4.510 4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.141 -2.947 4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.222 -2.449 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.181 -0.928 3.055 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.723 -0.704 2.789 1.00 0.00 H new ATOM 735 N SER A 48 -1.804 -5.976 7.300 1.00 0.00 N ATOM 736 CA SER A 48 -0.428 -5.938 7.766 1.00 0.00 C ATOM 737 C SER A 48 0.242 -7.238 7.341 1.00 0.00 C ATOM 738 O SER A 48 -0.380 -8.295 7.464 1.00 0.00 O ATOM 739 CB SER A 48 -0.411 -5.891 9.296 1.00 0.00 C ATOM 740 OG SER A 48 -0.082 -4.611 9.794 1.00 0.00 O ATOM 0 H SER A 48 -2.079 -6.901 6.971 1.00 0.00 H new ATOM 0 HA SER A 48 0.081 -5.066 7.355 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.389 -6.185 9.676 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.308 -6.619 9.671 1.00 0.00 H new ATOM 0 HG SER A 48 0.755 -4.306 9.386 1.00 0.00 H new ATOM 746 N GLY A 49 1.506 -7.204 6.923 1.00 0.00 N ATOM 747 CA GLY A 49 2.247 -8.411 6.598 1.00 0.00 C ATOM 748 C GLY A 49 3.750 -8.203 6.798 1.00 0.00 C ATOM 749 O GLY A 49 4.236 -7.078 6.939 1.00 0.00 O ATOM 0 H GLY A 49 2.038 -6.342 6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.903 -9.233 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.050 -8.696 5.564 1.00 0.00 H new ATOM 753 N GLU A 50 4.471 -9.321 6.865 1.00 0.00 N ATOM 754 CA GLU A 50 5.924 -9.459 6.898 1.00 0.00 C ATOM 755 C GLU A 50 6.533 -8.936 5.586 1.00 0.00 C ATOM 756 O GLU A 50 6.706 -9.691 4.633 1.00 0.00 O ATOM 757 CB GLU A 50 6.271 -10.946 7.165 1.00 0.00 C ATOM 758 CG GLU A 50 5.512 -11.972 6.286 1.00 0.00 C ATOM 759 CD GLU A 50 5.888 -13.431 6.555 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.107 -13.710 6.694 1.00 0.00 O ATOM 761 OE2 GLU A 50 4.970 -14.282 6.654 1.00 0.00 O ATOM 0 H GLU A 50 4.013 -10.231 6.901 1.00 0.00 H new ATOM 0 HA GLU A 50 6.353 -8.860 7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.342 -11.085 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.065 -11.167 8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.441 -11.849 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.704 -11.747 5.237 1.00 0.00 H new ATOM 768 N GLY A 51 6.741 -7.626 5.479 1.00 0.00 N ATOM 769 CA GLY A 51 7.044 -6.970 4.204 1.00 0.00 C ATOM 770 C GLY A 51 8.356 -7.421 3.593 1.00 0.00 C ATOM 771 O GLY A 51 8.360 -8.235 2.674 1.00 0.00 O ATOM 0 H GLY A 51 6.705 -6.987 6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.236 -7.169 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.075 -5.891 4.357 1.00 0.00 H new ATOM 775 N LYS A 52 9.443 -6.899 4.157 1.00 0.00 N ATOM 776 CA LYS A 52 10.862 -7.141 3.895 1.00 0.00 C ATOM 777 C LYS A 52 11.251 -6.869 2.441 1.00 0.00 C ATOM 778 O LYS A 52 10.668 -7.439 1.522 1.00 0.00 O ATOM 779 CB LYS A 52 11.201 -8.556 4.376 1.00 0.00 C ATOM 780 CG LYS A 52 12.529 -9.083 3.811 1.00 0.00 C ATOM 781 CD LYS A 52 12.899 -10.472 4.332 1.00 0.00 C ATOM 782 CE LYS A 52 12.373 -11.645 3.493 1.00 0.00 C ATOM 783 NZ LYS A 52 10.908 -11.829 3.527 1.00 0.00 N ATOM 0 H LYS A 52 9.337 -6.210 4.902 1.00 0.00 H new ATOM 0 HA LYS A 52 11.468 -6.430 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.249 -8.561 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.397 -9.233 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.466 -9.115 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.326 -8.384 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.985 -10.544 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.520 -10.574 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.682 -11.499 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.848 -12.563 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.666 -12.763 3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.573 -11.765 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.452 -11.088 2.957 1.00 0.00 H new ATOM 797 N LEU A 53 12.274 -6.041 2.215 1.00 0.00 N ATOM 798 CA LEU A 53 12.657 -5.613 0.865 1.00 0.00 C ATOM 799 C LEU A 53 14.121 -5.922 0.609 1.00 0.00 C ATOM 800 O LEU A 53 15.007 -5.444 1.320 1.00 0.00 O ATOM 801 CB LEU A 53 12.307 -4.136 0.627 1.00 0.00 C ATOM 802 CG LEU A 53 12.647 -3.618 -0.789 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.081 -4.427 -1.964 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.117 -2.191 -0.932 1.00 0.00 C ATOM 0 H LEU A 53 12.857 -5.650 2.955 1.00 0.00 H new ATOM 0 HA LEU A 53 12.077 -6.181 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.241 -3.995 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.837 -3.527 1.360 1.00 0.00 H new ATOM 0 HG LEU A 53 13.732 -3.700 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.387 -3.966 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.461 -5.448 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.993 -4.442 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.351 -1.814 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.037 -2.188 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.585 -1.552 -0.183 1.00 0.00 H new ATOM 816 N SER A 54 14.353 -6.751 -0.404 1.00 0.00 N ATOM 817 CA SER A 54 15.669 -7.173 -0.857 1.00 0.00 C ATOM 818 C SER A 54 15.687 -7.350 -2.386 1.00 0.00 C ATOM 819 O SER A 54 16.770 -7.416 -2.976 1.00 0.00 O ATOM 820 CB SER A 54 16.019 -8.460 -0.084 1.00 0.00 C ATOM 821 OG SER A 54 17.091 -9.193 -0.649 1.00 0.00 O ATOM 0 H SER A 54 13.597 -7.162 -0.952 1.00 0.00 H new ATOM 0 HA SER A 54 16.430 -6.420 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.272 -8.198 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.137 -9.099 -0.042 1.00 0.00 H new ATOM 0 HG SER A 54 16.768 -9.703 -1.421 1.00 0.00 H new ATOM 827 N ASN A 55 14.529 -7.456 -3.047 1.00 0.00 N ATOM 828 CA ASN A 55 14.435 -8.044 -4.385 1.00 0.00 C ATOM 829 C ASN A 55 13.674 -7.140 -5.366 1.00 0.00 C ATOM 830 O ASN A 55 13.345 -7.578 -6.464 1.00 0.00 O ATOM 831 CB ASN A 55 13.732 -9.414 -4.296 1.00 0.00 C ATOM 832 CG ASN A 55 14.446 -10.497 -3.491 1.00 0.00 C ATOM 833 OD1 ASN A 55 15.336 -10.269 -2.666 1.00 0.00 O ATOM 834 ND2 ASN A 55 14.010 -11.725 -3.668 1.00 0.00 N ATOM 0 H ASN A 55 13.636 -7.138 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 55 15.450 -8.161 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.744 -9.262 -3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.581 -9.786 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 55 14.407 -12.491 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.275 -11.912 -4.350 1.00 0.00 H new ATOM 841 N GLY A 56 13.316 -5.916 -4.968 1.00 0.00 N ATOM 842 CA GLY A 56 12.342 -5.104 -5.699 1.00 0.00 C ATOM 843 C GLY A 56 10.905 -5.590 -5.485 1.00 0.00 C ATOM 844 O GLY A 56 9.982 -5.054 -6.096 1.00 0.00 O ATOM 0 H GLY A 56 13.691 -5.463 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.424 -4.066 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.577 -5.128 -6.763 1.00 0.00 H new ATOM 848 N GLU A 57 10.692 -6.590 -4.620 1.00 0.00 N ATOM 849 CA GLU A 57 9.416 -7.278 -4.514 1.00 0.00 C ATOM 850 C GLU A 57 8.896 -7.127 -3.088 1.00 0.00 C ATOM 851 O GLU A 57 9.651 -7.357 -2.139 1.00 0.00 O ATOM 852 CB GLU A 57 9.646 -8.740 -4.913 1.00 0.00 C ATOM 853 CG GLU A 57 8.348 -9.539 -5.062 1.00 0.00 C ATOM 854 CD GLU A 57 8.672 -10.957 -5.540 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.039 -11.088 -6.729 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.613 -11.914 -4.727 1.00 0.00 O ATOM 0 H GLU A 57 11.404 -6.938 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 57 8.659 -6.858 -5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.193 -8.770 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.275 -9.219 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.821 -9.577 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.685 -9.047 -5.774 1.00 0.00 H new ATOM 863 N LEU A 58 7.632 -6.735 -2.913 1.00 0.00 N ATOM 864 CA LEU A 58 6.949 -6.670 -1.621 1.00 0.00 C ATOM 865 C LEU A 58 5.789 -7.650 -1.629 1.00 0.00 C ATOM 866 O LEU A 58 4.714 -7.362 -2.166 1.00 0.00 O ATOM 867 CB LEU A 58 6.498 -5.236 -1.310 1.00 0.00 C ATOM 868 CG LEU A 58 5.801 -5.041 0.054 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.773 -5.246 1.217 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.203 -3.632 0.194 1.00 0.00 C ATOM 0 H LEU A 58 7.039 -6.446 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 58 7.636 -6.954 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.370 -4.583 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.818 -4.909 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 58 5.007 -5.787 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.247 -5.101 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.178 -6.257 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.588 -4.526 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.722 -3.536 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.996 -2.890 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.466 -3.470 -0.593 1.00 0.00 H new ATOM 882 N THR A 59 6.024 -8.818 -1.044 1.00 0.00 N ATOM 883 CA THR A 59 5.005 -9.827 -0.807 1.00 0.00 C ATOM 884 C THR A 59 4.247 -9.579 0.501 1.00 0.00 C ATOM 885 O THR A 59 4.714 -8.822 1.354 1.00 0.00 O ATOM 886 CB THR A 59 5.674 -11.210 -0.766 1.00 0.00 C ATOM 887 OG1 THR A 59 6.936 -11.165 -0.114 1.00 0.00 O ATOM 888 CG2 THR A 59 5.885 -11.718 -2.180 1.00 0.00 C ATOM 0 H THR A 59 6.949 -9.094 -0.715 1.00 0.00 H new ATOM 0 HA THR A 59 4.279 -9.777 -1.619 1.00 0.00 H new ATOM 0 HB THR A 59 5.014 -11.875 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.332 -12.062 -0.105 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.360 -12.699 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.923 -11.797 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.525 -11.023 -2.724 1.00 0.00 H new ATOM 896 N ALA A 60 3.153 -10.314 0.720 1.00 0.00 N ATOM 897 CA ALA A 60 2.658 -10.745 2.019 1.00 0.00 C ATOM 898 C ALA A 60 2.081 -12.153 1.901 1.00 0.00 C ATOM 899 O ALA A 60 0.971 -12.331 1.411 1.00 0.00 O ATOM 900 CB ALA A 60 1.606 -9.783 2.577 1.00 0.00 C ATOM 0 H ALA A 60 2.563 -10.638 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 60 3.495 -10.747 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.263 -10.142 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.044 -8.791 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.761 -9.730 1.891 1.00 0.00 H new ATOM 906 N LYS A 61 2.827 -13.153 2.378 1.00 0.00 N ATOM 907 CA LYS A 61 2.349 -14.534 2.458 1.00 0.00 C ATOM 908 C LYS A 61 1.244 -14.702 3.521 1.00 0.00 C ATOM 909 O LYS A 61 0.497 -15.680 3.454 1.00 0.00 O ATOM 910 CB LYS A 61 3.567 -15.448 2.697 1.00 0.00 C ATOM 911 CG LYS A 61 3.267 -16.951 2.578 1.00 0.00 C ATOM 912 CD LYS A 61 4.479 -17.787 3.004 1.00 0.00 C ATOM 913 CE LYS A 61 4.129 -19.277 2.912 1.00 0.00 C ATOM 914 NZ LYS A 61 4.849 -20.085 3.916 1.00 0.00 N ATOM 0 H LYS A 61 3.780 -13.027 2.720 1.00 0.00 H new ATOM 0 HA LYS A 61 1.873 -14.821 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.347 -15.188 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.967 -15.247 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.409 -17.205 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.998 -17.192 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.332 -17.563 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.770 -17.533 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.055 -19.405 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.369 -19.643 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.580 -21.085 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.874 -19.986 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.601 -19.755 4.870 1.00 0.00 H new ATOM 928 N GLY A 62 1.106 -13.766 4.468 1.00 0.00 N ATOM 929 CA GLY A 62 0.056 -13.765 5.485 1.00 0.00 C ATOM 930 C GLY A 62 -1.036 -12.759 5.134 1.00 0.00 C ATOM 931 O GLY A 62 -2.019 -13.131 4.500 1.00 0.00 O ATOM 0 H GLY A 62 1.739 -12.970 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.376 -14.762 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.485 -13.519 6.457 1.00 0.00 H new ATOM 935 N LEU A 63 -0.835 -11.481 5.484 1.00 0.00 N ATOM 936 CA LEU A 63 -1.703 -10.334 5.317 1.00 0.00 C ATOM 937 C LEU A 63 -3.011 -10.405 6.123 1.00 0.00 C ATOM 938 O LEU A 63 -4.098 -10.639 5.598 1.00 0.00 O ATOM 939 CB LEU A 63 -1.893 -10.087 3.838 1.00 0.00 C ATOM 940 CG LEU A 63 -2.490 -8.714 3.564 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.383 -7.721 3.221 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.457 -8.820 2.393 1.00 0.00 C ATOM 0 H LEU A 63 0.037 -11.210 5.939 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.216 -9.462 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.933 -10.174 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.544 -10.856 3.422 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.016 -8.364 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.820 -6.742 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.687 -7.648 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.850 -8.063 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.890 -7.841 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.923 -9.171 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.252 -9.524 2.640 1.00 0.00 H new ATOM 954 N ALA A 64 -2.902 -10.100 7.415 1.00 0.00 N ATOM 955 CA ALA A 64 -4.007 -10.070 8.366 1.00 0.00 C ATOM 956 C ALA A 64 -4.969 -8.897 8.109 1.00 0.00 C ATOM 957 O ALA A 64 -4.767 -7.801 8.645 1.00 0.00 O ATOM 958 CB ALA A 64 -3.429 -9.998 9.785 1.00 0.00 C ATOM 0 H ALA A 64 -2.008 -9.858 7.842 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.595 -10.980 8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.244 -9.975 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.805 -10.873 9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.827 -9.095 9.887 1.00 0.00 H new ATOM 964 N MET A 65 -6.031 -9.109 7.328 1.00 0.00 N ATOM 965 CA MET A 65 -7.080 -8.114 7.054 1.00 0.00 C ATOM 966 C MET A 65 -8.320 -8.347 7.934 1.00 0.00 C ATOM 967 O MET A 65 -8.383 -9.361 8.636 1.00 0.00 O ATOM 968 CB MET A 65 -7.478 -8.171 5.577 1.00 0.00 C ATOM 969 CG MET A 65 -6.290 -8.031 4.629 1.00 0.00 C ATOM 970 SD MET A 65 -6.766 -7.706 2.918 1.00 0.00 S ATOM 971 CE MET A 65 -7.139 -5.940 3.022 1.00 0.00 C ATOM 0 H MET A 65 -6.193 -9.998 6.855 1.00 0.00 H new ATOM 0 HA MET A 65 -6.678 -7.129 7.289 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.983 -9.117 5.380 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.196 -7.377 5.370 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.650 -7.222 4.979 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.697 -8.945 4.665 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.800 -5.659 2.202 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.628 -5.727 3.972 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.214 -5.368 2.954 1.00 0.00 H new ATOM 981 N THR A 66 -9.320 -7.455 7.901 1.00 0.00 N ATOM 982 CA THR A 66 -10.547 -7.538 8.715 1.00 0.00 C ATOM 983 C THR A 66 -11.812 -7.721 7.844 1.00 0.00 C ATOM 984 O THR A 66 -11.706 -8.156 6.695 1.00 0.00 O ATOM 985 CB THR A 66 -10.626 -6.392 9.750 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.076 -5.192 9.181 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.304 -6.099 10.472 1.00 0.00 C ATOM 0 H THR A 66 -9.300 -6.635 7.294 1.00 0.00 H new ATOM 0 HA THR A 66 -10.497 -8.448 9.312 1.00 0.00 H new ATOM 0 HB THR A 66 -11.343 -6.762 10.483 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.421 -4.876 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.449 -5.282 11.179 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.977 -6.990 11.008 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.546 -5.816 9.742 1.00 0.00 H new ATOM 995 N ARG A 67 -13.010 -7.503 8.412 1.00 0.00 N ATOM 996 CA ARG A 67 -14.328 -7.755 7.801 1.00 0.00 C ATOM 997 C ARG A 67 -15.355 -6.662 8.153 1.00 0.00 C ATOM 998 O ARG A 67 -16.541 -6.934 8.364 1.00 0.00 O ATOM 999 CB ARG A 67 -14.804 -9.187 8.130 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.712 -9.641 9.599 1.00 0.00 C ATOM 1001 CD ARG A 67 -15.640 -8.883 10.552 1.00 0.00 C ATOM 1002 NE ARG A 67 -15.568 -9.420 11.918 1.00 0.00 N ATOM 1003 CZ ARG A 67 -16.264 -10.455 12.398 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -17.092 -11.162 11.630 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -16.107 -10.783 13.674 1.00 0.00 N ATOM 0 H ARG A 67 -13.091 -7.127 9.357 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.226 -7.696 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.843 -9.279 7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.223 -9.883 7.525 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.944 -10.705 9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.684 -9.522 9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.370 -7.827 10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.666 -8.946 10.189 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.925 -8.959 12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.208 -10.918 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.610 -11.947 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.467 -10.249 14.263 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.626 -11.569 14.066 1.00 0.00 H new ATOM 1019 N MET A 68 -14.882 -5.433 8.336 1.00 0.00 N ATOM 1020 CA MET A 68 -15.695 -4.237 8.533 1.00 0.00 C ATOM 1021 C MET A 68 -16.287 -3.773 7.183 1.00 0.00 C ATOM 1022 O MET A 68 -16.054 -4.391 6.140 1.00 0.00 O ATOM 1023 CB MET A 68 -14.830 -3.141 9.192 1.00 0.00 C ATOM 1024 CG MET A 68 -14.299 -3.559 10.574 1.00 0.00 C ATOM 1025 SD MET A 68 -13.410 -2.268 11.498 1.00 0.00 S ATOM 1026 CE MET A 68 -11.857 -2.166 10.563 1.00 0.00 C ATOM 0 H MET A 68 -13.882 -5.235 8.352 1.00 0.00 H new ATOM 0 HA MET A 68 -16.532 -4.454 9.196 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.989 -2.906 8.540 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.420 -2.230 9.294 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.140 -3.900 11.178 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.633 -4.412 10.445 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.027 -2.471 11.201 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.910 -2.825 9.697 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.700 -1.140 10.229 1.00 0.00 H new ATOM 1036 N MET A 69 -17.060 -2.684 7.198 1.00 0.00 N ATOM 1037 CA MET A 69 -17.625 -1.953 6.061 1.00 0.00 C ATOM 1038 C MET A 69 -16.948 -0.581 5.940 1.00 0.00 C ATOM 1039 O MET A 69 -16.301 -0.124 6.890 1.00 0.00 O ATOM 1040 CB MET A 69 -19.139 -1.780 6.271 1.00 0.00 C ATOM 1041 CG MET A 69 -19.971 -2.767 5.456 1.00 0.00 C ATOM 1042 SD MET A 69 -19.578 -4.527 5.600 1.00 0.00 S ATOM 1043 CE MET A 69 -19.802 -4.739 7.372 1.00 0.00 C ATOM 0 H MET A 69 -17.330 -2.254 8.083 1.00 0.00 H new ATOM 0 HA MET A 69 -17.451 -2.512 5.142 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.370 -1.905 7.329 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.424 -0.763 6.001 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.016 -2.634 5.735 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.884 -2.490 4.405 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.309 -5.685 7.564 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.829 -4.742 7.864 1.00 0.00 H new ATOM 0 HE3 MET A 69 -20.404 -3.919 7.763 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.180 0.115 4.820 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.685 1.471 4.549 1.00 0.00 C ATOM 1055 C CYS A 70 -17.727 2.343 3.843 1.00 0.00 C ATOM 1056 O CYS A 70 -18.516 1.858 3.033 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.403 1.439 3.706 1.00 0.00 C ATOM 1058 SG CYS A 70 -13.914 1.391 4.728 1.00 0.00 S ATOM 0 H CYS A 70 -17.736 -0.262 4.052 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.470 1.912 5.522 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.421 0.566 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.372 2.318 3.062 1.00 0.00 H new ATOM 1063 N ALA A 71 -17.647 3.656 4.102 1.00 0.00 N ATOM 1064 CA ALA A 71 -18.588 4.683 3.648 1.00 0.00 C ATOM 1065 C ALA A 71 -18.546 4.978 2.143 1.00 0.00 C ATOM 1066 O ALA A 71 -19.413 5.690 1.640 1.00 0.00 O ATOM 1067 CB ALA A 71 -18.302 5.979 4.416 1.00 0.00 C ATOM 0 H ALA A 71 -16.888 4.046 4.660 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.586 4.291 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.994 6.755 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.429 5.804 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.279 6.300 4.220 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.549 4.475 1.415 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.431 4.648 -0.030 1.00 0.00 C ATOM 1075 C ASN A 72 -17.049 3.274 -0.583 1.00 0.00 C ATOM 1076 O ASN A 72 -16.225 2.606 0.049 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.341 5.714 -0.264 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.240 6.186 -1.705 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -17.245 6.480 -2.335 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.046 6.348 -2.244 1.00 0.00 N ATOM 0 H ASN A 72 -16.790 3.928 1.820 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.341 4.987 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.543 6.573 0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.377 5.308 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.960 6.720 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.210 6.101 -1.715 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.548 2.847 -1.756 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.483 1.438 -2.126 1.00 0.00 C ATOM 1089 C PRO A 73 -16.142 1.092 -2.764 1.00 0.00 C ATOM 1090 O PRO A 73 -15.720 -0.059 -2.705 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.646 1.224 -3.097 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.762 2.579 -3.788 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.394 3.571 -2.692 1.00 0.00 C ATOM 0 HA PRO A 73 -17.564 0.786 -1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.438 0.424 -3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.565 0.956 -2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.087 2.654 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.770 2.753 -4.164 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.868 4.431 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.287 3.951 -2.196 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.453 2.082 -3.340 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.122 1.916 -3.897 1.00 0.00 C ATOM 1103 C GLN A 74 -13.171 1.459 -2.788 1.00 0.00 C ATOM 1104 O GLN A 74 -12.413 0.523 -3.003 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.703 3.235 -4.566 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.452 3.109 -5.452 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.146 4.397 -6.228 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.822 5.412 -6.094 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.099 4.410 -7.043 1.00 0.00 N ATOM 0 H GLN A 74 -15.816 3.031 -3.430 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.096 1.145 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.531 3.604 -5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.516 3.981 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.595 2.852 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.591 2.289 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.533 3.570 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.861 5.260 -7.553 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.253 2.063 -1.594 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.414 1.689 -0.457 1.00 0.00 C ATOM 1120 C LEU A 75 -12.632 0.224 -0.098 1.00 0.00 C ATOM 1121 O LEU A 75 -11.666 -0.492 0.153 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.708 2.557 0.785 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.586 4.073 0.587 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.047 4.793 1.860 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.149 4.475 0.254 1.00 0.00 C ATOM 0 H LEU A 75 -13.903 2.823 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.379 1.852 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.718 2.335 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.028 2.258 1.582 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.219 4.363 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.961 5.871 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.086 4.536 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.423 4.485 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.095 5.555 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.490 4.178 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.836 3.979 -0.665 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.899 -0.201 -0.034 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.251 -1.558 0.365 1.00 0.00 C ATOM 1139 C ASN A 76 -13.709 -2.536 -0.676 1.00 0.00 C ATOM 1140 O ASN A 76 -12.996 -3.462 -0.319 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.771 -1.698 0.561 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.141 -2.897 1.436 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.320 -3.745 1.767 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.356 -2.960 1.964 1.00 0.00 N ATOM 0 H ASN A 76 -14.702 0.387 -0.257 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.796 -1.790 1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.161 -0.787 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.252 -1.800 -0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.586 -3.700 2.627 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -18.060 -2.268 1.707 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.972 -2.282 -1.961 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.557 -3.112 -3.090 1.00 0.00 C ATOM 1153 C GLU A 77 -12.036 -3.329 -3.141 1.00 0.00 C ATOM 1154 O GLU A 77 -11.555 -4.383 -3.568 1.00 0.00 O ATOM 1155 CB GLU A 77 -14.020 -2.408 -4.375 1.00 0.00 C ATOM 1156 CG GLU A 77 -14.075 -3.345 -5.580 1.00 0.00 C ATOM 1157 CD GLU A 77 -13.878 -2.618 -6.910 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -14.552 -1.595 -7.182 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -13.060 -3.112 -7.720 1.00 0.00 O ATOM 0 H GLU A 77 -14.501 -1.460 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.008 -4.099 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.008 -1.977 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.344 -1.582 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.307 -4.111 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.037 -3.858 -5.591 1.00 0.00 H new ATOM 1166 N LEU A 78 -11.281 -2.309 -2.732 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.824 -2.303 -2.708 1.00 0.00 C ATOM 1168 C LEU A 78 -9.245 -3.277 -1.680 1.00 0.00 C ATOM 1169 O LEU A 78 -8.043 -3.556 -1.744 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.324 -0.874 -2.408 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.735 -0.111 -3.600 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.697 0.095 -4.771 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.255 1.269 -3.127 1.00 0.00 C ATOM 0 H LEU A 78 -11.685 -1.434 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.481 -2.632 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.155 -0.295 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.566 -0.931 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.921 -0.733 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.191 0.644 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.022 -0.874 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.564 0.663 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.835 1.817 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.097 1.826 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.492 1.145 -2.359 1.00 0.00 H new ATOM 1185 N ASP A 79 -10.050 -3.796 -0.747 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.596 -4.791 0.222 1.00 0.00 C ATOM 1187 C ASP A 79 -9.098 -6.052 -0.465 1.00 0.00 C ATOM 1188 O ASP A 79 -8.054 -6.598 -0.105 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.647 -5.058 1.315 1.00 0.00 C ATOM 1190 CG ASP A 79 -11.829 -6.010 1.040 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -12.203 -6.274 -0.125 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -12.440 -6.417 2.055 1.00 0.00 O ATOM 0 H ASP A 79 -11.031 -3.537 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.736 -4.375 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.117 -5.444 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.068 -4.094 1.600 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.771 -6.441 -1.536 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.367 -7.601 -2.298 1.00 0.00 C ATOM 1199 C ASN A 80 -8.176 -7.258 -3.173 1.00 0.00 C ATOM 1200 O ASN A 80 -7.266 -8.075 -3.256 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.514 -8.176 -3.130 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.458 -9.019 -2.286 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.028 -9.884 -1.528 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.759 -8.847 -2.429 1.00 0.00 N ATOM 0 H ASN A 80 -10.600 -5.967 -1.894 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.076 -8.378 -1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.070 -7.361 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.107 -8.784 -3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.411 -9.434 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.112 -8.127 -3.060 1.00 0.00 H new ATOM 1211 N THR A 81 -8.132 -6.058 -3.769 1.00 0.00 N ATOM 1212 CA THR A 81 -7.016 -5.648 -4.613 1.00 0.00 C ATOM 1213 C THR A 81 -5.706 -5.791 -3.841 1.00 0.00 C ATOM 1214 O THR A 81 -4.780 -6.419 -4.347 1.00 0.00 O ATOM 1215 CB THR A 81 -7.176 -4.206 -5.128 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.398 -3.972 -5.799 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.059 -3.847 -6.119 1.00 0.00 C ATOM 0 H THR A 81 -8.865 -5.355 -3.677 1.00 0.00 H new ATOM 0 HA THR A 81 -7.003 -6.302 -5.485 1.00 0.00 H new ATOM 0 HB THR A 81 -7.138 -3.591 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.434 -3.039 -6.097 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.196 -2.823 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.092 -3.935 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.095 -4.527 -6.970 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.598 -5.211 -2.639 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.326 -5.243 -1.929 1.00 0.00 C ATOM 1227 C ILE A 82 -3.969 -6.681 -1.545 1.00 0.00 C ATOM 1228 O ILE A 82 -2.800 -7.059 -1.633 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.340 -4.256 -0.744 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.927 -4.004 -0.188 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.281 -4.671 0.398 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.056 -3.174 -1.143 1.00 0.00 C ATOM 0 H ILE A 82 -6.355 -4.729 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.526 -4.901 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.731 -3.328 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.004 -3.488 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.440 -4.960 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.236 -3.928 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.302 -4.739 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.973 -5.641 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.071 -3.026 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.953 -3.700 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.525 -2.205 -1.315 1.00 0.00 H new ATOM 1244 N SER A 83 -4.961 -7.496 -1.175 1.00 0.00 N ATOM 1245 CA SER A 83 -4.732 -8.908 -0.900 1.00 0.00 C ATOM 1246 C SER A 83 -4.132 -9.611 -2.119 1.00 0.00 C ATOM 1247 O SER A 83 -3.117 -10.304 -2.007 1.00 0.00 O ATOM 1248 CB SER A 83 -6.035 -9.552 -0.420 1.00 0.00 C ATOM 1249 OG SER A 83 -5.811 -10.846 0.112 1.00 0.00 O ATOM 0 H SER A 83 -5.929 -7.197 -1.060 1.00 0.00 H new ATOM 0 HA SER A 83 -3.999 -9.014 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.496 -8.920 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.738 -9.616 -1.251 1.00 0.00 H new ATOM 0 HG SER A 83 -6.662 -11.229 0.411 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.747 -9.404 -3.276 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.428 -10.025 -4.549 1.00 0.00 C ATOM 1257 C GLU A 84 -3.202 -9.377 -5.202 1.00 0.00 C ATOM 1258 O GLU A 84 -2.697 -9.929 -6.172 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.704 -9.917 -5.413 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.744 -10.759 -6.697 1.00 0.00 C ATOM 1261 CD GLU A 84 -7.107 -10.690 -7.422 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -8.081 -10.065 -6.947 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -7.231 -11.218 -8.548 1.00 0.00 O ATOM 0 H GLU A 84 -5.531 -8.756 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.148 -11.071 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.557 -10.198 -4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.841 -8.871 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.961 -10.417 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.522 -11.797 -6.451 1.00 0.00 H new ATOM 1270 N MET A 85 -2.649 -8.271 -4.686 1.00 0.00 N ATOM 1271 CA MET A 85 -1.345 -7.775 -5.097 1.00 0.00 C ATOM 1272 C MET A 85 -0.256 -8.371 -4.228 1.00 0.00 C ATOM 1273 O MET A 85 0.721 -8.918 -4.736 1.00 0.00 O ATOM 1274 CB MET A 85 -1.267 -6.262 -4.970 1.00 0.00 C ATOM 1275 CG MET A 85 -2.098 -5.568 -6.034 1.00 0.00 C ATOM 1276 SD MET A 85 -2.127 -3.782 -5.758 1.00 0.00 S ATOM 1277 CE MET A 85 -0.580 -3.434 -6.621 1.00 0.00 C ATOM 0 H MET A 85 -3.100 -7.700 -3.971 1.00 0.00 H new ATOM 0 HA MET A 85 -1.205 -8.064 -6.139 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.615 -5.961 -3.982 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.228 -5.942 -5.053 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.687 -5.782 -7.021 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.115 -5.960 -6.021 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.507 -2.365 -6.820 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.261 -3.746 -6.001 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.558 -3.981 -7.564 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.403 -8.265 -2.910 1.00 0.00 N ATOM 1288 CA LEU A 86 0.683 -8.596 -2.003 1.00 0.00 C ATOM 1289 C LEU A 86 0.999 -10.085 -2.055 1.00 0.00 C ATOM 1290 O LEU A 86 2.144 -10.454 -1.824 1.00 0.00 O ATOM 1291 CB LEU A 86 0.320 -8.154 -0.577 1.00 0.00 C ATOM 1292 CG LEU A 86 0.566 -6.672 -0.239 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.981 -6.471 0.331 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.335 -5.698 -1.400 1.00 0.00 C ATOM 0 H LEU A 86 -1.260 -7.954 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 86 1.580 -8.062 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.735 -8.373 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.888 -8.764 0.125 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.187 -6.429 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.134 -5.417 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.095 -7.063 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.719 -6.791 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.533 -4.680 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.006 -5.947 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.698 -5.774 -1.739 1.00 0.00 H new ATOM 1306 N LYS A 87 0.027 -10.949 -2.344 1.00 0.00 N ATOM 1307 CA LYS A 87 0.240 -12.381 -2.235 1.00 0.00 C ATOM 1308 C LYS A 87 1.386 -12.870 -3.125 1.00 0.00 C ATOM 1309 O LYS A 87 2.352 -13.448 -2.626 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.085 -13.115 -2.483 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.217 -14.233 -1.443 1.00 0.00 C ATOM 1312 CD LYS A 87 -1.682 -13.671 -0.085 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.175 -13.912 0.160 1.00 0.00 C ATOM 1314 NZ LYS A 87 -4.048 -13.235 -0.824 1.00 0.00 N ATOM 0 H LYS A 87 -0.907 -10.680 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 87 0.564 -12.615 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.923 -12.423 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.107 -13.529 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.929 -14.980 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.259 -14.738 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.105 -14.134 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.477 -12.601 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.372 -14.984 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.432 -13.566 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.989 -13.084 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.633 -12.317 -1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.137 -13.827 -1.674 1.00 0.00 H new ATOM 1328 N GLU A 88 1.306 -12.614 -4.429 1.00 0.00 N ATOM 1329 CA GLU A 88 2.277 -13.108 -5.400 1.00 0.00 C ATOM 1330 C GLU A 88 3.596 -12.346 -5.286 1.00 0.00 C ATOM 1331 O GLU A 88 4.659 -12.956 -5.405 1.00 0.00 O ATOM 1332 CB GLU A 88 1.701 -13.088 -6.823 1.00 0.00 C ATOM 1333 CG GLU A 88 0.394 -13.907 -6.890 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.335 -13.831 -8.228 1.00 0.00 C ATOM 1335 OE1 GLU A 88 0.196 -13.262 -9.208 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -1.506 -14.280 -8.276 1.00 0.00 O ATOM 0 H GLU A 88 0.561 -12.054 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 88 2.494 -14.151 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.509 -12.060 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.430 -13.498 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.623 -14.951 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.278 -13.560 -6.105 1.00 0.00 H new ATOM 1343 N GLY A 89 3.545 -11.051 -4.976 1.00 0.00 N ATOM 1344 CA GLY A 89 4.716 -10.196 -4.917 1.00 0.00 C ATOM 1345 C GLY A 89 4.483 -9.047 -5.866 1.00 0.00 C ATOM 1346 O GLY A 89 4.520 -9.236 -7.083 1.00 0.00 O ATOM 0 H GLY A 89 2.675 -10.566 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.873 -9.830 -3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.611 -10.751 -5.198 1.00 0.00 H new ATOM 1350 N ALA A 90 4.170 -7.882 -5.299 1.00 0.00 N ATOM 1351 CA ALA A 90 4.118 -6.664 -6.085 1.00 0.00 C ATOM 1352 C ALA A 90 5.546 -6.235 -6.375 1.00 0.00 C ATOM 1353 O ALA A 90 6.375 -6.239 -5.460 1.00 0.00 O ATOM 1354 CB ALA A 90 3.379 -5.559 -5.328 1.00 0.00 C ATOM 0 H ALA A 90 3.952 -7.763 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 90 3.577 -6.845 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.353 -4.656 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.360 -5.883 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.897 -5.350 -4.392 1.00 0.00 H new ATOM 1360 N GLN A 91 5.803 -5.816 -7.609 1.00 0.00 N ATOM 1361 CA GLN A 91 6.942 -4.991 -7.928 1.00 0.00 C ATOM 1362 C GLN A 91 6.678 -3.674 -7.214 1.00 0.00 C ATOM 1363 O GLN A 91 5.627 -3.046 -7.394 1.00 0.00 O ATOM 1364 CB GLN A 91 7.074 -4.779 -9.444 1.00 0.00 C ATOM 1365 CG GLN A 91 7.503 -6.043 -10.204 1.00 0.00 C ATOM 1366 CD GLN A 91 6.422 -7.113 -10.149 1.00 0.00 C ATOM 1367 OE1 GLN A 91 5.301 -6.893 -10.598 1.00 0.00 O ATOM 1368 NE2 GLN A 91 6.706 -8.265 -9.565 1.00 0.00 N ATOM 0 H GLN A 91 5.219 -6.045 -8.413 1.00 0.00 H new ATOM 0 HA GLN A 91 7.878 -5.452 -7.612 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.119 -4.434 -9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.801 -3.988 -9.630 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.716 -5.791 -11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.426 -6.433 -9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.642 -8.433 -9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.989 -8.986 -9.483 1.00 0.00 H new ATOM 1377 N VAL A 92 7.611 -3.309 -6.353 1.00 0.00 N ATOM 1378 CA VAL A 92 7.640 -2.053 -5.650 1.00 0.00 C ATOM 1379 C VAL A 92 8.755 -1.270 -6.303 1.00 0.00 C ATOM 1380 O VAL A 92 9.899 -1.714 -6.297 1.00 0.00 O ATOM 1381 CB VAL A 92 7.828 -2.331 -4.147 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.255 -1.098 -3.341 1.00 0.00 C ATOM 1383 CG2 VAL A 92 6.473 -2.778 -3.589 1.00 0.00 C ATOM 0 H VAL A 92 8.401 -3.911 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 92 6.722 -1.469 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 92 8.615 -3.080 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.368 -1.370 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.205 -0.725 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.496 -0.321 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.569 -2.984 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.738 -1.987 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.147 -3.681 -4.105 1.00 0.00 H new ATOM 1393 N ASP A 93 8.415 -0.115 -6.867 1.00 0.00 N ATOM 1394 CA ASP A 93 9.384 0.781 -7.473 1.00 0.00 C ATOM 1395 C ASP A 93 9.059 2.186 -6.985 1.00 0.00 C ATOM 1396 O ASP A 93 8.047 2.775 -7.355 1.00 0.00 O ATOM 1397 CB ASP A 93 9.410 0.632 -9.005 1.00 0.00 C ATOM 1398 CG ASP A 93 10.782 0.129 -9.464 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.786 0.782 -9.099 1.00 0.00 O ATOM 1400 OD2 ASP A 93 10.846 -0.905 -10.179 1.00 0.00 O ATOM 0 H ASP A 93 7.454 0.224 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 93 10.402 0.535 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.634 -0.064 -9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.190 1.591 -9.475 1.00 0.00 H new ATOM 1405 N LEU A 94 9.856 2.693 -6.044 1.00 0.00 N ATOM 1406 CA LEU A 94 9.773 4.065 -5.554 1.00 0.00 C ATOM 1407 C LEU A 94 10.834 4.858 -6.289 1.00 0.00 C ATOM 1408 O LEU A 94 12.021 4.548 -6.182 1.00 0.00 O ATOM 1409 CB LEU A 94 9.977 4.107 -4.032 1.00 0.00 C ATOM 1410 CG LEU A 94 10.212 5.481 -3.392 1.00 0.00 C ATOM 1411 CD1 LEU A 94 9.039 6.437 -3.631 1.00 0.00 C ATOM 1412 CD2 LEU A 94 10.420 5.299 -1.887 1.00 0.00 C ATOM 0 H LEU A 94 10.591 2.149 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 94 8.789 4.495 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.101 3.661 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.828 3.471 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 94 11.095 5.922 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.250 7.397 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.900 6.581 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.131 6.014 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.588 6.271 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.535 4.837 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.286 4.660 -1.714 1.00 0.00 H new ATOM 1424 N THR A 95 10.394 5.855 -7.039 1.00 0.00 N ATOM 1425 CA THR A 95 11.237 6.909 -7.584 1.00 0.00 C ATOM 1426 C THR A 95 11.499 7.969 -6.500 1.00 0.00 C ATOM 1427 O THR A 95 11.255 7.733 -5.318 1.00 0.00 O ATOM 1428 CB THR A 95 10.605 7.528 -8.849 1.00 0.00 C ATOM 1429 OG1 THR A 95 9.492 6.823 -9.375 1.00 0.00 O ATOM 1430 CG2 THR A 95 11.682 7.701 -9.926 1.00 0.00 C ATOM 0 H THR A 95 9.412 5.957 -7.293 1.00 0.00 H new ATOM 0 HA THR A 95 12.193 6.482 -7.887 1.00 0.00 H new ATOM 0 HB THR A 95 10.203 8.492 -8.537 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.157 7.287 -10.171 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.236 8.138 -10.819 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.467 8.359 -9.553 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.110 6.729 -10.172 1.00 0.00 H new ATOM 1438 N ALA A 96 11.996 9.154 -6.867 1.00 0.00 N ATOM 1439 CA ALA A 96 12.293 10.244 -5.946 1.00 0.00 C ATOM 1440 C ALA A 96 11.146 10.531 -4.957 1.00 0.00 C ATOM 1441 O ALA A 96 11.393 10.552 -3.752 1.00 0.00 O ATOM 1442 CB ALA A 96 12.683 11.477 -6.763 1.00 0.00 C ATOM 0 H ALA A 96 12.207 9.383 -7.838 1.00 0.00 H new ATOM 0 HA ALA A 96 13.130 9.949 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.909 12.303 -6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.562 11.250 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.857 11.757 -7.416 1.00 0.00 H new ATOM 1448 N ASN A 97 9.902 10.731 -5.425 1.00 0.00 N ATOM 1449 CA ASN A 97 8.757 11.055 -4.548 1.00 0.00 C ATOM 1450 C ASN A 97 7.483 10.267 -4.868 1.00 0.00 C ATOM 1451 O ASN A 97 6.423 10.554 -4.303 1.00 0.00 O ATOM 1452 CB ASN A 97 8.461 12.575 -4.444 1.00 0.00 C ATOM 1453 CG ASN A 97 9.147 13.468 -5.458 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.650 13.678 -6.562 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.275 14.047 -5.102 1.00 0.00 N ATOM 0 H ASN A 97 9.660 10.674 -6.414 1.00 0.00 H new ATOM 0 HA ASN A 97 9.089 10.726 -3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.384 12.720 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.745 12.910 -3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.749 14.680 -5.746 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.675 13.862 -4.182 1.00 0.00 H new ATOM 1462 N GLN A 98 7.548 9.271 -5.749 1.00 0.00 N ATOM 1463 CA GLN A 98 6.365 8.608 -6.271 1.00 0.00 C ATOM 1464 C GLN A 98 6.599 7.105 -6.297 1.00 0.00 C ATOM 1465 O GLN A 98 7.599 6.639 -6.839 1.00 0.00 O ATOM 1466 CB GLN A 98 6.090 9.188 -7.655 1.00 0.00 C ATOM 1467 CG GLN A 98 4.695 8.862 -8.191 1.00 0.00 C ATOM 1468 CD GLN A 98 4.529 9.575 -9.523 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.829 10.577 -9.633 1.00 0.00 O ATOM 1470 NE2 GLN A 98 5.250 9.137 -10.535 1.00 0.00 N ATOM 0 H GLN A 98 8.425 8.904 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 98 5.490 8.776 -5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.211 10.271 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.836 8.808 -8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.576 7.786 -8.317 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.930 9.187 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.827 8.303 -10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.232 9.632 -11.426 1.00 0.00 H new ATOM 1479 N LEU A 99 5.701 6.368 -5.652 1.00 0.00 N ATOM 1480 CA LEU A 99 5.669 4.920 -5.620 1.00 0.00 C ATOM 1481 C LEU A 99 4.855 4.410 -6.802 1.00 0.00 C ATOM 1482 O LEU A 99 3.773 4.931 -7.089 1.00 0.00 O ATOM 1483 CB LEU A 99 4.981 4.443 -4.325 1.00 0.00 C ATOM 1484 CG LEU A 99 5.822 3.593 -3.364 1.00 0.00 C ATOM 1485 CD1 LEU A 99 4.890 3.011 -2.291 1.00 0.00 C ATOM 1486 CD2 LEU A 99 6.580 2.465 -4.063 1.00 0.00 C ATOM 0 H LEU A 99 4.943 6.788 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 99 6.690 4.541 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.632 5.322 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.098 3.868 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 99 6.579 4.240 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.470 2.402 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.409 3.824 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.129 2.393 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.155 1.902 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.870 1.800 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.256 2.887 -4.806 1.00 0.00 H new ATOM 1498 N THR A 100 5.308 3.309 -7.376 1.00 0.00 N ATOM 1499 CA THR A 100 4.640 2.529 -8.397 1.00 0.00 C ATOM 1500 C THR A 100 4.526 1.117 -7.821 1.00 0.00 C ATOM 1501 O THR A 100 5.538 0.491 -7.501 1.00 0.00 O ATOM 1502 CB THR A 100 5.462 2.637 -9.695 1.00 0.00 C ATOM 1503 OG1 THR A 100 5.475 3.998 -10.112 1.00 0.00 O ATOM 1504 CG2 THR A 100 4.899 1.772 -10.827 1.00 0.00 C ATOM 0 H THR A 100 6.213 2.912 -7.122 1.00 0.00 H new ATOM 0 HA THR A 100 3.638 2.871 -8.657 1.00 0.00 H new ATOM 0 HB THR A 100 6.468 2.275 -9.482 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.997 4.082 -10.937 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.518 1.888 -11.716 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.898 0.726 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.879 2.085 -11.052 1.00 0.00 H new ATOM 1512 N LEU A 101 3.290 0.662 -7.595 1.00 0.00 N ATOM 1513 CA LEU A 101 2.942 -0.639 -7.035 1.00 0.00 C ATOM 1514 C LEU A 101 2.257 -1.425 -8.127 1.00 0.00 C ATOM 1515 O LEU A 101 1.082 -1.184 -8.398 1.00 0.00 O ATOM 1516 CB LEU A 101 2.009 -0.450 -5.822 1.00 0.00 C ATOM 1517 CG LEU A 101 2.706 -0.468 -4.458 1.00 0.00 C ATOM 1518 CD1 LEU A 101 2.851 -1.886 -3.913 1.00 0.00 C ATOM 1519 CD2 LEU A 101 4.065 0.215 -4.478 1.00 0.00 C ATOM 0 H LEU A 101 2.466 1.223 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 101 3.827 -1.172 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.483 0.499 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.254 -1.236 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 101 2.057 0.102 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.350 -1.854 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.864 -2.334 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.442 -2.484 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.509 0.170 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.716 -0.292 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.944 1.257 -4.775 1.00 0.00 H new ATOM 1531 N ALA A 102 2.984 -2.338 -8.756 1.00 0.00 N ATOM 1532 CA ALA A 102 2.479 -3.138 -9.862 1.00 0.00 C ATOM 1533 C ALA A 102 2.492 -4.613 -9.474 1.00 0.00 C ATOM 1534 O ALA A 102 3.254 -5.030 -8.604 1.00 0.00 O ATOM 1535 CB ALA A 102 3.326 -2.862 -11.099 1.00 0.00 C ATOM 0 H ALA A 102 3.952 -2.546 -8.510 1.00 0.00 H new ATOM 0 HA ALA A 102 1.448 -2.870 -10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.956 -3.457 -11.934 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.266 -1.804 -11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.363 -3.128 -10.896 1.00 0.00 H new ATOM 1541 N THR A 103 1.610 -5.419 -10.051 1.00 0.00 N ATOM 1542 CA THR A 103 1.513 -6.845 -9.879 1.00 0.00 C ATOM 1543 C THR A 103 0.744 -7.384 -11.095 1.00 0.00 C ATOM 1544 O THR A 103 0.170 -6.607 -11.869 1.00 0.00 O ATOM 1545 CB THR A 103 0.721 -7.129 -8.592 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.851 -6.133 -7.594 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.181 -8.423 -7.966 1.00 0.00 C ATOM 0 H THR A 103 0.902 -5.061 -10.691 1.00 0.00 H new ATOM 0 HA THR A 103 2.493 -7.315 -9.803 1.00 0.00 H new ATOM 0 HB THR A 103 -0.320 -7.164 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.078 -6.554 -6.739 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.611 -8.610 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.024 -9.242 -8.667 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.241 -8.352 -7.722 1.00 0.00 H new ATOM 1555 N ALA A 104 0.598 -8.707 -11.196 1.00 0.00 N ATOM 1556 CA ALA A 104 -0.218 -9.349 -12.219 1.00 0.00 C ATOM 1557 C ALA A 104 -1.707 -8.983 -12.128 1.00 0.00 C ATOM 1558 O ALA A 104 -2.449 -9.241 -13.074 1.00 0.00 O ATOM 1559 CB ALA A 104 -0.061 -10.868 -12.136 1.00 0.00 C ATOM 0 H ALA A 104 1.049 -9.366 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 104 0.143 -8.979 -13.179 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.674 -11.340 -12.904 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.984 -11.135 -12.292 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.381 -11.214 -11.153 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.170 -8.387 -11.023 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.516 -7.920 -10.833 1.00 0.00 C ATOM 1567 C LYS A 105 -3.684 -6.648 -11.671 1.00 0.00 C ATOM 1568 O LYS A 105 -4.329 -6.694 -12.713 1.00 0.00 O ATOM 1569 CB LYS A 105 -3.707 -7.841 -9.313 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.756 -6.860 -8.838 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.148 -6.907 -9.489 1.00 0.00 C ATOM 1572 CE LYS A 105 -6.803 -8.234 -9.127 1.00 0.00 C ATOM 1573 NZ LYS A 105 -8.176 -8.371 -9.641 1.00 0.00 N ATOM 0 H LYS A 105 -1.577 -8.217 -10.211 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.323 -8.559 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.970 -8.833 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.753 -7.575 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.886 -7.006 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.358 -5.855 -8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.759 -6.075 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.064 -6.808 -10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.194 -9.049 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.817 -8.339 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.562 -9.295 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.771 -7.613 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.167 -8.302 -10.679 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.135 -5.528 -11.214 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.322 -4.160 -11.692 1.00 0.00 C ATOM 1589 C GLN A 106 -2.173 -3.357 -11.050 1.00 0.00 C ATOM 1590 O GLN A 106 -1.417 -3.893 -10.228 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.689 -3.611 -11.202 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.946 -3.888 -12.041 1.00 0.00 C ATOM 1593 CD GLN A 106 -7.212 -3.296 -11.396 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -7.209 -2.967 -10.106 1.00 0.00 O flip ATOM 1595 NE2 GLN A 106 -8.227 -3.091 -12.052 1.00 0.00 N flip ATOM 0 H GLN A 106 -2.487 -5.556 -10.426 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.314 -4.096 -12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.865 -4.010 -10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.592 -2.530 -11.101 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.816 -3.467 -13.038 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.071 -4.964 -12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.252 -3.335 -13.042 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.046 -2.676 -11.608 1.00 0.00 H new ATOM 1604 N THR A 107 -2.077 -2.058 -11.335 1.00 0.00 N ATOM 1605 CA THR A 107 -0.978 -1.194 -10.920 1.00 0.00 C ATOM 1606 C THR A 107 -1.526 0.101 -10.294 1.00 0.00 C ATOM 1607 O THR A 107 -2.558 0.609 -10.732 1.00 0.00 O ATOM 1608 CB THR A 107 -0.055 -0.995 -12.136 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.982 -0.078 -11.866 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.811 -0.535 -13.388 1.00 0.00 C ATOM 0 H THR A 107 -2.786 -1.565 -11.878 1.00 0.00 H new ATOM 0 HA THR A 107 -0.375 -1.641 -10.130 1.00 0.00 H new ATOM 0 HB THR A 107 0.373 -1.978 -12.333 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.547 0.020 -12.661 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.109 -0.412 -14.212 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.558 -1.282 -13.657 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.304 0.416 -13.186 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.880 0.607 -9.242 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.287 1.706 -8.369 1.00 0.00 C ATOM 1620 C LEU A 108 -0.161 2.733 -8.323 1.00 0.00 C ATOM 1621 O LEU A 108 1.012 2.377 -8.465 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.513 1.174 -6.935 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.926 0.656 -6.630 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.397 -0.386 -7.633 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -2.976 0.087 -5.210 1.00 0.00 C ATOM 0 H LEU A 108 0.021 0.223 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.206 2.152 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.803 0.368 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.279 1.972 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.607 1.503 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.401 -0.717 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.409 0.050 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.718 -1.239 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.981 -0.279 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.265 -0.735 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.718 0.869 -4.496 1.00 0.00 H new ATOM 1637 N THR A 109 -0.513 3.988 -8.043 1.00 0.00 N ATOM 1638 CA THR A 109 0.454 5.070 -7.833 1.00 0.00 C ATOM 1639 C THR A 109 0.225 5.689 -6.457 1.00 0.00 C ATOM 1640 O THR A 109 -0.849 6.243 -6.209 1.00 0.00 O ATOM 1641 CB THR A 109 0.359 6.125 -8.946 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.440 5.504 -10.214 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.498 7.146 -8.859 1.00 0.00 C ATOM 0 H THR A 109 -1.484 4.286 -7.954 1.00 0.00 H new ATOM 0 HA THR A 109 1.463 4.660 -7.872 1.00 0.00 H new ATOM 0 HB THR A 109 -0.596 6.634 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.377 6.185 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.395 7.875 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.455 7.658 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.455 6.633 -8.955 1.00 0.00 H new ATOM 1651 N TYR A 110 1.226 5.603 -5.578 1.00 0.00 N ATOM 1652 CA TYR A 110 1.201 6.239 -4.267 1.00 0.00 C ATOM 1653 C TYR A 110 2.187 7.420 -4.250 1.00 0.00 C ATOM 1654 O TYR A 110 3.115 7.473 -5.060 1.00 0.00 O ATOM 1655 CB TYR A 110 1.547 5.226 -3.159 1.00 0.00 C ATOM 1656 CG TYR A 110 0.591 4.072 -2.889 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.595 2.923 -3.706 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.205 4.086 -1.727 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -0.202 1.810 -3.370 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -1.026 2.996 -1.399 1.00 0.00 C ATOM 1661 CZ TYR A 110 -1.025 1.847 -2.220 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.806 0.778 -1.902 1.00 0.00 O ATOM 0 H TYR A 110 2.084 5.083 -5.762 1.00 0.00 H new ATOM 0 HA TYR A 110 0.195 6.611 -4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.521 4.798 -3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.662 5.782 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.211 2.895 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.183 4.949 -1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.184 0.927 -3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.656 3.036 -0.523 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.624 1.090 -1.462 1.00 0.00 H new ATOM 1672 N LYS A 111 2.034 8.354 -3.306 1.00 0.00 N ATOM 1673 CA LYS A 111 2.876 9.548 -3.171 1.00 0.00 C ATOM 1674 C LYS A 111 3.661 9.490 -1.864 1.00 0.00 C ATOM 1675 O LYS A 111 3.115 9.024 -0.867 1.00 0.00 O ATOM 1676 CB LYS A 111 1.966 10.788 -3.152 1.00 0.00 C ATOM 1677 CG LYS A 111 2.736 12.083 -3.462 1.00 0.00 C ATOM 1678 CD LYS A 111 2.831 12.371 -4.967 1.00 0.00 C ATOM 1679 CE LYS A 111 1.740 13.380 -5.357 1.00 0.00 C ATOM 1680 NZ LYS A 111 1.551 13.528 -6.816 1.00 0.00 N ATOM 0 H LYS A 111 1.303 8.300 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 111 3.575 9.597 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.166 10.660 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.494 10.874 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.245 12.920 -2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.741 12.012 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.816 12.769 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.710 11.448 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.796 13.070 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.991 14.352 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.800 14.224 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.438 13.853 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.281 12.611 -7.226 1.00 0.00 H new ATOM 1694 N LEU A 112 4.875 10.045 -1.836 1.00 0.00 N ATOM 1695 CA LEU A 112 5.733 10.256 -0.661 1.00 0.00 C ATOM 1696 C LEU A 112 5.215 11.403 0.230 1.00 0.00 C ATOM 1697 O LEU A 112 5.960 12.253 0.705 1.00 0.00 O ATOM 1698 CB LEU A 112 7.161 10.515 -1.178 1.00 0.00 C ATOM 1699 CG LEU A 112 8.264 10.722 -0.120 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.288 9.632 0.948 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.608 10.752 -0.837 1.00 0.00 C ATOM 0 H LEU A 112 5.317 10.383 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 112 5.725 9.373 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.450 9.674 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.135 11.398 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 112 8.057 11.659 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.087 9.838 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.332 9.613 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.463 8.665 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.406 10.898 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.762 9.808 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.619 11.571 -1.556 1.00 0.00 H new ATOM 1713 N ALA A 113 3.907 11.527 0.391 1.00 0.00 N ATOM 1714 CA ALA A 113 3.328 12.617 1.158 1.00 0.00 C ATOM 1715 C ALA A 113 3.491 12.330 2.658 1.00 0.00 C ATOM 1716 O ALA A 113 2.611 11.715 3.263 1.00 0.00 O ATOM 1717 CB ALA A 113 1.868 12.792 0.729 1.00 0.00 C ATOM 0 H ALA A 113 3.223 10.881 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 113 3.842 13.559 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.418 13.607 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.827 13.024 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.319 11.870 0.921 1.00 0.00 H new ATOM 1723 N ASP A 114 4.607 12.726 3.276 1.00 0.00 N ATOM 1724 CA ASP A 114 4.935 12.382 4.661 1.00 0.00 C ATOM 1725 C ASP A 114 4.754 13.546 5.632 1.00 0.00 C ATOM 1726 O ASP A 114 5.588 13.865 6.479 1.00 0.00 O ATOM 1727 CB ASP A 114 6.235 11.599 4.819 1.00 0.00 C ATOM 1728 CG ASP A 114 7.560 12.318 4.544 1.00 0.00 C ATOM 1729 OD1 ASP A 114 7.589 13.383 3.886 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.609 11.729 4.915 1.00 0.00 O ATOM 0 H ASP A 114 5.316 13.302 2.822 1.00 0.00 H new ATOM 0 HA ASP A 114 4.177 11.661 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.270 11.218 5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.184 10.734 4.157 1.00 0.00 H new