USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1366 hydrogens (28 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 145 SER OG : rot 101:sc= 1.4 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= -0.372 USER MOD Set 2.1: A 118 CYS SG : rot 135:sc= -0.861 USER MOD Set 2.2: A 150 GLN : amide:sc= 0.0112 X(o=-0.85,f=-1) USER MOD Set 3.1: A 86 ASN : amide:sc= -0.921! C(o=0.19!,f=-8.9!) USER MOD Set 3.2: A 89 SER OG : rot -36:sc= 1.11 USER MOD Set 4.1: A 72 MET CE :methyl 151:sc= -0.675 (180deg=0) USER MOD Set 4.2: A 99 GLN : amide:sc= -0.0814 K(o=-0.76,f=-3.2) USER MOD Set 5.1: A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0176) USER MOD Set 5.2: A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.1: A 32 TYR OH : rot 77:sc= 0.922 USER MOD Set 6.2: A 40 TYR OH : rot 180:sc= 0.812 USER MOD Set 7.1: A 25 GLN : amide:sc= -1.27 K(o=-2.6,f=-1.5) USER MOD Set 7.2: A 27 HIS : no HE2:sc= -1.37 K(o=-2.6,f=-1.5) USER MOD Set 8.1: A 16 LYS NZ :NH3+ 155:sc= 1.57 (180deg=0.193) USER MOD Set 8.2: A 58 THR OG1 : rot -90:sc= 2.29 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= 1.14 (180deg=0.752) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00609 USER MOD Single : A 22 GLN : amide:sc= 1.24 K(o=1.2,f=-3.6!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 81:sc= 1.34 USER MOD Single : A 39 SER OG : rot 33:sc= 0.469 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.125 (180deg=-0.487) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 51 CYS SG : rot 49:sc= 0.739 USER MOD Single : A 61 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.63) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -140:sc=-0.00549 (180deg=-0.982) USER MOD Single : A 70 GLN : amide:sc= -0.495 X(o=-0.49,f=0) USER MOD Single : A 71 TYR OH : rot 117:sc= 1.22 USER MOD Single : A 74 THR OG1 : rot -68:sc= -1.43! USER MOD Single : A 80 CYS SG : rot 180:sc=-0.00136 USER MOD Single : A 85 ASN : amide:sc= -0.493 K(o=-0.49,f=-7.5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.362 K(o=-0.36,f=-2.7!) USER MOD Single : A 95 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.5!) USER MOD Single : A 96 TYR OH : rot -118:sc= 1.13 USER MOD Single : A 101 LYS NZ :NH3+ 158:sc= 1.17 (180deg=1.11) USER MOD Single : A 104 LYS NZ :NH3+ -127:sc= 2.23 (180deg=-0.497) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -159:sc= -0.845 (180deg=-1.18) USER MOD Single : A 116 ASN : amide:sc= -1.01 K(o=-1,f=-6.3!) USER MOD Single : A 117 LYS NZ :NH3+ -169:sc= 1.15 (180deg=1.04) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 128 LYS NZ :NH3+ -148:sc= 1.3 (180deg=0.909) USER MOD Single : A 129 GLN : amide:sc= -1 K(o=-1,f=-0.033) USER MOD Single : A 131 GLN : amide:sc= -0.0615 X(o=-0.062,f=-0.36) USER MOD Single : A 136 SER OG : rot 87:sc= 1.23 USER MOD Single : A 137 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 144 THR OG1 : rot 170:sc= -0.24 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 165 LYS NZ :NH3+ 136:sc= 1.24 (180deg=0.329) USER MOD Single : A 166 HIS : no HE2:sc= 1.01 K(o=1,f=-5.3!) USER MOD Single : A 167 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00795) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 GDP O2' : rot 170:sc= 1.04 USER MOD Single : A 201 GDP O3' : rot 137:sc= 0.0889 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.975 9.355 8.264 1.00 0.55 N ATOM 2 CA MET A 1 18.687 9.264 7.549 1.00 0.44 C ATOM 3 C MET A 1 18.637 7.983 6.733 1.00 0.43 C ATOM 4 O MET A 1 19.414 7.809 5.799 1.00 0.60 O ATOM 5 CB MET A 1 18.492 10.465 6.619 1.00 0.50 C ATOM 6 CG MET A 1 17.144 10.469 5.906 1.00 0.53 C ATOM 7 SD MET A 1 17.113 11.556 4.467 1.00 1.04 S ATOM 8 CE MET A 1 17.345 13.156 5.242 1.00 1.48 C ATOM 0 H1 MET A 1 20.002 10.234 8.820 1.00 0.55 H new ATOM 0 H2 MET A 1 20.077 8.539 8.901 1.00 0.55 H new ATOM 0 H3 MET A 1 20.755 9.357 7.576 1.00 0.55 H new ATOM 0 HA MET A 1 17.887 9.261 8.290 1.00 0.44 H new ATOM 0 HB2 MET A 1 18.590 11.383 7.198 1.00 0.50 H new ATOM 0 HB3 MET A 1 19.288 10.471 5.874 1.00 0.50 H new ATOM 0 HG2 MET A 1 16.901 9.453 5.593 1.00 0.53 H new ATOM 0 HG3 MET A 1 16.369 10.780 6.607 1.00 0.53 H new ATOM 0 HE1 MET A 1 17.295 13.938 4.484 1.00 1.48 H new ATOM 0 HE2 MET A 1 16.562 13.318 5.983 1.00 1.48 H new ATOM 0 HE3 MET A 1 18.319 13.186 5.730 1.00 1.48 H new ATOM 20 N THR A 2 17.736 7.090 7.094 1.00 0.36 N ATOM 21 CA THR A 2 17.585 5.839 6.374 1.00 0.41 C ATOM 22 C THR A 2 16.494 5.972 5.319 1.00 0.33 C ATOM 23 O THR A 2 15.425 6.535 5.583 1.00 0.35 O ATOM 24 CB THR A 2 17.261 4.676 7.331 1.00 0.57 C ATOM 25 OG1 THR A 2 18.215 4.657 8.393 1.00 1.04 O ATOM 26 CG2 THR A 2 17.297 3.336 6.613 1.00 0.91 C ATOM 0 H THR A 2 17.098 7.207 7.881 1.00 0.36 H new ATOM 0 HA THR A 2 18.533 5.615 5.884 1.00 0.41 H new ATOM 0 HB THR A 2 16.255 4.832 7.721 1.00 0.57 H new ATOM 0 HG1 THR A 2 18.010 3.919 9.004 1.00 1.04 H new ATOM 0 HG21 THR A 2 17.064 2.539 7.319 1.00 0.91 H new ATOM 0 HG22 THR A 2 16.562 3.335 5.808 1.00 0.91 H new ATOM 0 HG23 THR A 2 18.291 3.173 6.197 1.00 0.91 H new ATOM 34 N GLU A 3 16.783 5.482 4.122 1.00 0.31 N ATOM 35 CA GLU A 3 15.848 5.544 3.016 1.00 0.26 C ATOM 36 C GLU A 3 14.893 4.356 3.057 1.00 0.24 C ATOM 37 O GLU A 3 15.319 3.209 3.203 1.00 0.37 O ATOM 38 CB GLU A 3 16.617 5.566 1.693 1.00 0.37 C ATOM 39 CG GLU A 3 15.742 5.717 0.457 1.00 0.42 C ATOM 40 CD GLU A 3 16.548 5.772 -0.828 1.00 0.62 C ATOM 41 OE1 GLU A 3 16.427 6.775 -1.567 1.00 1.15 O ATOM 42 OE2 GLU A 3 17.307 4.817 -1.108 1.00 1.27 O ATOM 0 H GLU A 3 17.670 5.033 3.894 1.00 0.31 H new ATOM 0 HA GLU A 3 15.259 6.457 3.100 1.00 0.26 H new ATOM 0 HB2 GLU A 3 17.334 6.387 1.718 1.00 0.37 H new ATOM 0 HB3 GLU A 3 17.191 4.644 1.606 1.00 0.37 H new ATOM 0 HG2 GLU A 3 15.043 4.882 0.407 1.00 0.42 H new ATOM 0 HG3 GLU A 3 15.147 6.626 0.547 1.00 0.42 H new ATOM 49 N TYR A 4 13.604 4.636 2.958 1.00 0.19 N ATOM 50 CA TYR A 4 12.586 3.594 2.969 1.00 0.25 C ATOM 51 C TYR A 4 11.704 3.722 1.737 1.00 0.21 C ATOM 52 O TYR A 4 10.995 4.718 1.570 1.00 0.21 O ATOM 53 CB TYR A 4 11.721 3.685 4.229 1.00 0.37 C ATOM 54 CG TYR A 4 12.390 3.165 5.483 1.00 0.53 C ATOM 55 CD1 TYR A 4 12.214 1.846 5.897 1.00 0.91 C ATOM 56 CD2 TYR A 4 13.182 3.993 6.265 1.00 0.78 C ATOM 57 CE1 TYR A 4 12.809 1.377 7.057 1.00 1.06 C ATOM 58 CE2 TYR A 4 13.780 3.529 7.418 1.00 0.93 C ATOM 59 CZ TYR A 4 13.589 2.223 7.813 1.00 0.91 C ATOM 60 OH TYR A 4 14.180 1.768 8.970 1.00 1.11 O ATOM 0 H TYR A 4 13.234 5.582 2.868 1.00 0.19 H new ATOM 0 HA TYR A 4 13.089 2.627 2.963 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.438 4.726 4.387 1.00 0.37 H new ATOM 0 HB3 TYR A 4 10.800 3.126 4.064 1.00 0.37 H new ATOM 0 HD1 TYR A 4 11.605 1.179 5.305 1.00 0.91 H new ATOM 0 HD2 TYR A 4 13.333 5.020 5.966 1.00 0.78 H new ATOM 0 HE1 TYR A 4 12.662 0.353 7.367 1.00 1.06 H new ATOM 0 HE2 TYR A 4 14.397 4.188 8.010 1.00 0.93 H new ATOM 0 HH TYR A 4 14.696 2.493 9.380 1.00 1.11 H new ATOM 70 N LYS A 5 11.748 2.716 0.877 1.00 0.24 N ATOM 71 CA LYS A 5 10.956 2.722 -0.342 1.00 0.26 C ATOM 72 C LYS A 5 9.707 1.860 -0.166 1.00 0.24 C ATOM 73 O LYS A 5 9.791 0.639 -0.007 1.00 0.29 O ATOM 74 CB LYS A 5 11.799 2.230 -1.515 1.00 0.40 C ATOM 75 CG LYS A 5 13.070 3.037 -1.716 1.00 0.81 C ATOM 76 CD LYS A 5 13.963 2.429 -2.784 1.00 0.65 C ATOM 77 CE LYS A 5 13.314 2.494 -4.159 1.00 0.62 C ATOM 78 NZ LYS A 5 13.084 3.895 -4.606 1.00 0.71 N ATOM 0 H LYS A 5 12.325 1.884 1.002 1.00 0.24 H new ATOM 0 HA LYS A 5 10.636 3.742 -0.554 1.00 0.26 H new ATOM 0 HB2 LYS A 5 12.061 1.185 -1.353 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.202 2.271 -2.426 1.00 0.40 H new ATOM 0 HG2 LYS A 5 12.811 4.058 -1.997 1.00 0.81 H new ATOM 0 HG3 LYS A 5 13.617 3.094 -0.775 1.00 0.81 H new ATOM 0 HD2 LYS A 5 14.917 2.957 -2.806 1.00 0.65 H new ATOM 0 HD3 LYS A 5 14.179 1.391 -2.531 1.00 0.65 H new ATOM 0 HE2 LYS A 5 13.949 1.983 -4.883 1.00 0.62 H new ATOM 0 HE3 LYS A 5 12.363 1.961 -4.136 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 13.052 3.927 -5.645 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 12.181 4.238 -4.221 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 13.858 4.500 -4.265 1.00 0.71 H new ATOM 92 N LEU A 6 8.551 2.510 -0.190 1.00 0.26 N ATOM 93 CA LEU A 6 7.280 1.826 0.000 1.00 0.33 C ATOM 94 C LEU A 6 6.388 1.984 -1.228 1.00 0.27 C ATOM 95 O LEU A 6 6.302 3.065 -1.813 1.00 0.29 O ATOM 96 CB LEU A 6 6.566 2.373 1.243 1.00 0.45 C ATOM 97 CG LEU A 6 7.480 2.670 2.440 1.00 0.70 C ATOM 98 CD1 LEU A 6 7.799 4.158 2.517 1.00 1.39 C ATOM 99 CD2 LEU A 6 6.845 2.186 3.736 1.00 1.08 C ATOM 0 H LEU A 6 8.468 3.515 -0.340 1.00 0.26 H new ATOM 0 HA LEU A 6 7.482 0.764 0.143 1.00 0.33 H new ATOM 0 HB2 LEU A 6 6.043 3.289 0.969 1.00 0.45 H new ATOM 0 HB3 LEU A 6 5.808 1.654 1.554 1.00 0.45 H new ATOM 0 HG LEU A 6 8.415 2.128 2.298 1.00 0.70 H new ATOM 0 HD11 LEU A 6 8.448 4.347 3.372 1.00 1.39 H new ATOM 0 HD12 LEU A 6 8.304 4.470 1.603 1.00 1.39 H new ATOM 0 HD13 LEU A 6 6.874 4.723 2.631 1.00 1.39 H new ATOM 0 HD21 LEU A 6 7.510 2.407 4.571 1.00 1.08 H new ATOM 0 HD22 LEU A 6 5.892 2.694 3.886 1.00 1.08 H new ATOM 0 HD23 LEU A 6 6.678 1.110 3.680 1.00 1.08 H new ATOM 111 N VAL A 7 5.720 0.907 -1.611 1.00 0.26 N ATOM 112 CA VAL A 7 4.839 0.933 -2.770 1.00 0.26 C ATOM 113 C VAL A 7 3.407 0.632 -2.361 1.00 0.30 C ATOM 114 O VAL A 7 3.156 -0.313 -1.612 1.00 0.39 O ATOM 115 CB VAL A 7 5.274 -0.082 -3.851 1.00 0.32 C ATOM 116 CG1 VAL A 7 4.416 0.054 -5.100 1.00 0.81 C ATOM 117 CG2 VAL A 7 6.748 0.082 -4.191 1.00 0.74 C ATOM 0 H VAL A 7 5.770 0.005 -1.138 1.00 0.26 H new ATOM 0 HA VAL A 7 4.903 1.937 -3.190 1.00 0.26 H new ATOM 0 HB VAL A 7 5.129 -1.084 -3.446 1.00 0.32 H new ATOM 0 HG11 VAL A 7 4.742 -0.671 -5.846 1.00 0.81 H new ATOM 0 HG12 VAL A 7 3.372 -0.131 -4.846 1.00 0.81 H new ATOM 0 HG13 VAL A 7 4.519 1.061 -5.504 1.00 0.81 H new ATOM 0 HG21 VAL A 7 7.028 -0.644 -4.954 1.00 0.74 H new ATOM 0 HG22 VAL A 7 6.925 1.090 -4.567 1.00 0.74 H new ATOM 0 HG23 VAL A 7 7.348 -0.082 -3.296 1.00 0.74 H new ATOM 127 N VAL A 8 2.476 1.446 -2.837 1.00 0.28 N ATOM 128 CA VAL A 8 1.068 1.246 -2.549 1.00 0.33 C ATOM 129 C VAL A 8 0.441 0.454 -3.686 1.00 0.37 C ATOM 130 O VAL A 8 0.363 0.945 -4.808 1.00 0.41 O ATOM 131 CB VAL A 8 0.315 2.583 -2.396 1.00 0.37 C ATOM 132 CG1 VAL A 8 -1.062 2.360 -1.795 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.111 3.559 -1.548 1.00 0.37 C ATOM 0 H VAL A 8 2.674 2.254 -3.427 1.00 0.28 H new ATOM 0 HA VAL A 8 0.990 0.706 -1.605 1.00 0.33 H new ATOM 0 HB VAL A 8 0.192 3.014 -3.390 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.575 3.317 -1.696 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.641 1.703 -2.445 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -0.960 1.900 -0.812 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.559 4.494 -1.455 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.273 3.133 -0.558 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.074 3.752 -2.022 1.00 0.37 H new ATOM 143 N VAL A 9 0.014 -0.765 -3.398 1.00 0.40 N ATOM 144 CA VAL A 9 -0.581 -1.619 -4.415 1.00 0.46 C ATOM 145 C VAL A 9 -2.051 -1.899 -4.113 1.00 0.52 C ATOM 146 O VAL A 9 -2.532 -1.638 -3.007 1.00 0.70 O ATOM 147 CB VAL A 9 0.177 -2.959 -4.562 1.00 0.49 C ATOM 148 CG1 VAL A 9 1.531 -2.737 -5.214 1.00 0.51 C ATOM 149 CG2 VAL A 9 0.334 -3.653 -3.216 1.00 0.59 C ATOM 0 H VAL A 9 0.068 -1.185 -2.470 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.506 -1.075 -5.357 1.00 0.46 H new ATOM 0 HB VAL A 9 -0.413 -3.611 -5.206 1.00 0.49 H new ATOM 0 HG11 VAL A 9 2.050 -3.691 -5.309 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.391 -2.300 -6.203 1.00 0.51 H new ATOM 0 HG13 VAL A 9 2.125 -2.061 -4.599 1.00 0.51 H new ATOM 0 HG21 VAL A 9 0.871 -4.592 -3.351 1.00 0.59 H new ATOM 0 HG22 VAL A 9 0.894 -3.009 -2.538 1.00 0.59 H new ATOM 0 HG23 VAL A 9 -0.650 -3.855 -2.794 1.00 0.59 H new ATOM 159 N GLY A 10 -2.754 -2.427 -5.100 1.00 0.44 N ATOM 160 CA GLY A 10 -4.157 -2.735 -4.941 1.00 0.51 C ATOM 161 C GLY A 10 -4.885 -2.645 -6.263 1.00 0.51 C ATOM 162 O GLY A 10 -4.250 -2.502 -7.314 1.00 0.53 O ATOM 0 H GLY A 10 -2.372 -2.650 -6.019 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -4.268 -3.738 -4.528 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.606 -2.045 -4.227 1.00 0.51 H new ATOM 166 N ALA A 11 -6.206 -2.710 -6.221 1.00 0.52 N ATOM 167 CA ALA A 11 -7.006 -2.624 -7.440 1.00 0.53 C ATOM 168 C ALA A 11 -7.151 -1.175 -7.893 1.00 0.50 C ATOM 169 O ALA A 11 -6.763 -0.243 -7.187 1.00 0.50 O ATOM 170 CB ALA A 11 -8.376 -3.252 -7.227 1.00 0.58 C ATOM 0 H ALA A 11 -6.748 -2.821 -5.364 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.489 -3.178 -8.224 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -8.957 -3.178 -8.146 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -8.257 -4.301 -6.956 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -8.896 -2.727 -6.426 1.00 0.58 H new ATOM 176 N GLY A 12 -7.718 -0.989 -9.071 1.00 0.55 N ATOM 177 CA GLY A 12 -7.901 0.340 -9.598 1.00 0.54 C ATOM 178 C GLY A 12 -9.058 1.068 -8.950 1.00 0.54 C ATOM 179 O GLY A 12 -10.166 0.538 -8.869 1.00 0.80 O ATOM 0 H GLY A 12 -8.056 -1.740 -9.673 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -6.987 0.915 -9.451 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -8.070 0.281 -10.673 1.00 0.54 H new ATOM 183 N GLY A 13 -8.795 2.273 -8.468 1.00 0.34 N ATOM 184 CA GLY A 13 -9.835 3.070 -7.848 1.00 0.40 C ATOM 185 C GLY A 13 -10.054 2.764 -6.377 1.00 0.40 C ATOM 186 O GLY A 13 -11.048 3.201 -5.796 1.00 0.42 O ATOM 0 H GLY A 13 -7.876 2.716 -8.495 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -9.583 4.125 -7.955 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -10.770 2.910 -8.385 1.00 0.40 H new ATOM 190 N VAL A 14 -9.130 2.033 -5.753 1.00 0.39 N ATOM 191 CA VAL A 14 -9.268 1.696 -4.335 1.00 0.41 C ATOM 192 C VAL A 14 -8.997 2.914 -3.453 1.00 0.44 C ATOM 193 O VAL A 14 -9.557 3.036 -2.364 1.00 0.57 O ATOM 194 CB VAL A 14 -8.346 0.532 -3.909 1.00 0.42 C ATOM 195 CG1 VAL A 14 -8.756 -0.754 -4.608 1.00 0.41 C ATOM 196 CG2 VAL A 14 -6.882 0.850 -4.183 1.00 0.43 C ATOM 0 H VAL A 14 -8.289 1.667 -6.199 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.299 1.371 -4.198 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.457 0.395 -2.833 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -8.096 -1.564 -4.297 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -9.784 -1.001 -4.342 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -8.682 -0.621 -5.687 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.262 0.009 -3.871 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -6.742 1.028 -5.249 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.593 1.741 -3.625 1.00 0.43 H new ATOM 206 N GLY A 15 -8.146 3.817 -3.929 1.00 0.39 N ATOM 207 CA GLY A 15 -7.848 5.017 -3.168 1.00 0.42 C ATOM 208 C GLY A 15 -6.374 5.207 -2.877 1.00 0.43 C ATOM 209 O GLY A 15 -6.022 5.962 -1.976 1.00 0.49 O ATOM 0 H GLY A 15 -7.660 3.741 -4.822 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -8.215 5.884 -3.717 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -8.393 4.982 -2.225 1.00 0.42 H new ATOM 213 N LYS A 16 -5.513 4.551 -3.658 1.00 0.41 N ATOM 214 CA LYS A 16 -4.066 4.660 -3.465 1.00 0.45 C ATOM 215 C LYS A 16 -3.620 6.120 -3.489 1.00 0.47 C ATOM 216 O LYS A 16 -3.058 6.623 -2.524 1.00 0.58 O ATOM 217 CB LYS A 16 -3.306 3.906 -4.559 1.00 0.46 C ATOM 218 CG LYS A 16 -3.779 2.487 -4.812 1.00 0.65 C ATOM 219 CD LYS A 16 -2.949 1.842 -5.910 1.00 0.79 C ATOM 220 CE LYS A 16 -3.673 0.674 -6.558 1.00 0.78 C ATOM 221 NZ LYS A 16 -2.926 0.129 -7.726 1.00 0.81 N ATOM 0 H LYS A 16 -5.791 3.941 -4.427 1.00 0.41 H new ATOM 0 HA LYS A 16 -3.841 4.221 -2.493 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.385 4.470 -5.489 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -2.250 3.878 -4.292 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -3.700 1.902 -3.896 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.831 2.493 -5.098 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -2.710 2.587 -6.669 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -2.003 1.496 -5.494 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -3.818 -0.116 -5.821 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -4.663 0.996 -6.880 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -3.190 -0.866 -7.874 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -3.161 0.680 -8.576 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -1.904 0.192 -7.545 1.00 0.81 H new ATOM 235 N SER A 17 -3.900 6.789 -4.606 1.00 0.40 N ATOM 236 CA SER A 17 -3.511 8.181 -4.800 1.00 0.41 C ATOM 237 C SER A 17 -4.015 9.077 -3.664 1.00 0.40 C ATOM 238 O SER A 17 -3.247 9.848 -3.101 1.00 0.58 O ATOM 239 CB SER A 17 -4.020 8.688 -6.157 1.00 0.43 C ATOM 240 OG SER A 17 -3.983 7.654 -7.149 1.00 0.44 O ATOM 0 H SER A 17 -4.400 6.383 -5.397 1.00 0.40 H new ATOM 0 HA SER A 17 -2.422 8.227 -4.789 1.00 0.41 H new ATOM 0 HB2 SER A 17 -5.041 9.056 -6.050 1.00 0.43 H new ATOM 0 HB3 SER A 17 -3.411 9.530 -6.484 1.00 0.43 H new ATOM 246 N ALA A 18 -5.290 8.940 -3.313 1.00 0.41 N ATOM 247 CA ALA A 18 -5.897 9.744 -2.251 1.00 0.40 C ATOM 248 C ALA A 18 -5.168 9.564 -0.920 1.00 0.41 C ATOM 249 O ALA A 18 -4.948 10.528 -0.192 1.00 0.43 O ATOM 250 CB ALA A 18 -7.372 9.393 -2.096 1.00 0.43 C ATOM 0 H ALA A 18 -5.929 8.276 -3.750 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.808 10.791 -2.539 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.809 9.999 -1.303 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.893 9.591 -3.033 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -7.470 8.338 -1.842 1.00 0.43 H new ATOM 256 N LEU A 19 -4.791 8.327 -0.613 1.00 0.44 N ATOM 257 CA LEU A 19 -4.090 8.028 0.631 1.00 0.50 C ATOM 258 C LEU A 19 -2.732 8.725 0.661 1.00 0.48 C ATOM 259 O LEU A 19 -2.319 9.260 1.692 1.00 0.51 O ATOM 260 CB LEU A 19 -3.919 6.513 0.793 1.00 0.60 C ATOM 261 CG LEU A 19 -5.204 5.745 1.110 1.00 0.76 C ATOM 262 CD1 LEU A 19 -4.976 4.248 0.998 1.00 0.92 C ATOM 263 CD2 LEU A 19 -5.703 6.103 2.498 1.00 0.79 C ATOM 0 H LEU A 19 -4.959 7.516 -1.208 1.00 0.44 H new ATOM 0 HA LEU A 19 -4.686 8.402 1.464 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -3.491 6.111 -0.125 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -3.198 6.327 1.589 1.00 0.60 H new ATOM 0 HG LEU A 19 -5.964 6.030 0.382 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -5.902 3.721 1.227 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -4.660 4.003 -0.016 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -4.202 3.944 1.702 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -6.618 5.549 2.710 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -4.943 5.845 3.236 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -5.907 7.173 2.547 1.00 0.79 H new ATOM 275 N THR A 20 -2.049 8.724 -0.476 1.00 0.49 N ATOM 276 CA THR A 20 -0.746 9.364 -0.586 1.00 0.54 C ATOM 277 C THR A 20 -0.889 10.884 -0.566 1.00 0.49 C ATOM 278 O THR A 20 -0.144 11.582 0.122 1.00 0.50 O ATOM 279 CB THR A 20 -0.034 8.936 -1.884 1.00 0.64 C ATOM 280 OG1 THR A 20 -0.316 7.559 -2.161 1.00 0.89 O ATOM 281 CG2 THR A 20 1.469 9.132 -1.769 1.00 0.74 C ATOM 0 H THR A 20 -2.377 8.286 -1.337 1.00 0.49 H new ATOM 0 HA THR A 20 -0.148 9.048 0.269 1.00 0.54 H new ATOM 0 HB THR A 20 -0.405 9.559 -2.698 1.00 0.64 H new ATOM 0 HG1 THR A 20 0.137 7.292 -2.988 1.00 0.89 H new ATOM 0 HG21 THR A 20 1.948 8.823 -2.698 1.00 0.74 H new ATOM 0 HG22 THR A 20 1.685 10.184 -1.582 1.00 0.74 H new ATOM 0 HG23 THR A 20 1.852 8.530 -0.945 1.00 0.74 H new ATOM 289 N ILE A 21 -1.871 11.388 -1.308 1.00 0.48 N ATOM 290 CA ILE A 21 -2.132 12.821 -1.384 1.00 0.50 C ATOM 291 C ILE A 21 -2.453 13.391 -0.003 1.00 0.43 C ATOM 292 O ILE A 21 -1.959 14.458 0.370 1.00 0.43 O ATOM 293 CB ILE A 21 -3.295 13.127 -2.355 1.00 0.59 C ATOM 294 CG1 ILE A 21 -2.894 12.789 -3.794 1.00 0.63 C ATOM 295 CG2 ILE A 21 -3.720 14.582 -2.242 1.00 0.79 C ATOM 296 CD1 ILE A 21 -4.036 12.910 -4.775 1.00 0.76 C ATOM 0 H ILE A 21 -2.504 10.819 -1.870 1.00 0.48 H new ATOM 0 HA ILE A 21 -1.227 13.296 -1.762 1.00 0.50 H new ATOM 0 HB ILE A 21 -4.146 12.503 -2.081 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -2.086 13.451 -4.104 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -2.503 11.772 -3.826 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -4.540 14.776 -2.934 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -4.049 14.787 -1.223 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -2.877 15.227 -2.488 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -3.685 12.657 -5.775 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -4.836 12.228 -4.488 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -4.413 13.933 -4.771 1.00 0.76 H new ATOM 308 N GLN A 22 -3.254 12.658 0.762 1.00 0.41 N ATOM 309 CA GLN A 22 -3.637 13.076 2.105 1.00 0.37 C ATOM 310 C GLN A 22 -2.428 13.143 3.031 1.00 0.37 C ATOM 311 O GLN A 22 -2.459 13.819 4.056 1.00 0.46 O ATOM 312 CB GLN A 22 -4.672 12.115 2.680 1.00 0.40 C ATOM 313 CG GLN A 22 -6.101 12.595 2.511 1.00 0.43 C ATOM 314 CD GLN A 22 -6.507 13.595 3.578 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.688 14.373 4.066 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.773 13.564 3.961 1.00 0.41 N ATOM 0 H GLN A 22 -3.653 11.765 0.472 1.00 0.41 H new ATOM 0 HA GLN A 22 -4.068 14.074 2.033 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -4.563 11.144 2.196 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -4.470 11.967 3.741 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -6.214 13.052 1.528 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -6.775 11.739 2.544 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -8.420 12.903 3.531 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -8.102 14.201 4.687 1.00 0.41 H new ATOM 325 N LEU A 23 -1.365 12.446 2.666 1.00 0.41 N ATOM 326 CA LEU A 23 -0.152 12.426 3.469 1.00 0.44 C ATOM 327 C LEU A 23 0.815 13.523 3.033 1.00 0.40 C ATOM 328 O LEU A 23 1.450 14.174 3.864 1.00 0.49 O ATOM 329 CB LEU A 23 0.531 11.060 3.361 1.00 0.54 C ATOM 330 CG LEU A 23 1.771 10.882 4.236 1.00 1.06 C ATOM 331 CD1 LEU A 23 1.412 10.992 5.705 1.00 1.37 C ATOM 332 CD2 LEU A 23 2.428 9.546 3.956 1.00 1.25 C ATOM 0 H LEU A 23 -1.317 11.884 1.816 1.00 0.41 H new ATOM 0 HA LEU A 23 -0.433 12.608 4.506 1.00 0.44 H new ATOM 0 HB2 LEU A 23 -0.193 10.288 3.623 1.00 0.54 H new ATOM 0 HB3 LEU A 23 0.813 10.894 2.321 1.00 0.54 H new ATOM 0 HG LEU A 23 2.476 11.677 3.993 1.00 1.06 H new ATOM 0 HD11 LEU A 23 2.310 10.862 6.310 1.00 1.37 H new ATOM 0 HD12 LEU A 23 0.981 11.974 5.902 1.00 1.37 H new ATOM 0 HD13 LEU A 23 0.687 10.219 5.961 1.00 1.37 H new ATOM 0 HD21 LEU A 23 3.310 9.435 4.587 1.00 1.25 H new ATOM 0 HD22 LEU A 23 1.724 8.742 4.171 1.00 1.25 H new ATOM 0 HD23 LEU A 23 2.724 9.499 2.908 1.00 1.25 H new ATOM 344 N ILE A 24 0.914 13.732 1.732 1.00 0.37 N ATOM 345 CA ILE A 24 1.825 14.732 1.191 1.00 0.39 C ATOM 346 C ILE A 24 1.234 16.139 1.249 1.00 0.46 C ATOM 347 O ILE A 24 1.878 17.066 1.740 1.00 0.58 O ATOM 348 CB ILE A 24 2.206 14.404 -0.269 1.00 0.40 C ATOM 349 CG1 ILE A 24 2.722 12.966 -0.379 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.251 15.383 -0.788 1.00 0.47 C ATOM 351 CD1 ILE A 24 3.849 12.638 0.581 1.00 0.37 C ATOM 0 H ILE A 24 0.377 13.225 1.029 1.00 0.37 H new ATOM 0 HA ILE A 24 2.718 14.706 1.816 1.00 0.39 H new ATOM 0 HB ILE A 24 1.311 14.500 -0.884 1.00 0.40 H new ATOM 0 HG12 ILE A 24 1.895 12.280 -0.199 1.00 0.39 H new ATOM 0 HG13 ILE A 24 3.065 12.791 -1.399 1.00 0.39 H new ATOM 0 HG21 ILE A 24 3.504 15.133 -1.818 1.00 0.47 H new ATOM 0 HG22 ILE A 24 2.852 16.396 -0.748 1.00 0.47 H new ATOM 0 HG23 ILE A 24 4.146 15.322 -0.169 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.157 11.602 0.440 1.00 0.37 H new ATOM 0 HD12 ILE A 24 4.695 13.298 0.388 1.00 0.37 H new ATOM 0 HD13 ILE A 24 3.506 12.778 1.606 1.00 0.37 H new ATOM 363 N GLN A 25 0.014 16.291 0.751 1.00 0.46 N ATOM 364 CA GLN A 25 -0.641 17.595 0.721 1.00 0.55 C ATOM 365 C GLN A 25 -1.496 17.833 1.965 1.00 0.50 C ATOM 366 O GLN A 25 -1.889 18.966 2.241 1.00 0.58 O ATOM 367 CB GLN A 25 -1.495 17.728 -0.537 1.00 0.65 C ATOM 368 CG GLN A 25 -0.675 17.795 -1.813 1.00 0.82 C ATOM 369 CD GLN A 25 -1.527 18.069 -3.032 1.00 1.04 C ATOM 370 OE1 GLN A 25 -1.852 19.217 -3.335 1.00 1.68 O ATOM 371 NE2 GLN A 25 -1.873 17.020 -3.754 1.00 1.38 N ATOM 0 H GLN A 25 -0.543 15.530 0.362 1.00 0.46 H new ATOM 0 HA GLN A 25 0.141 18.354 0.709 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -2.178 16.880 -0.596 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -2.108 18.626 -0.459 1.00 0.65 H new ATOM 0 HG2 GLN A 25 0.079 18.577 -1.717 1.00 0.82 H new ATOM 0 HG3 GLN A 25 -0.143 16.854 -1.949 1.00 0.82 H new ATOM 0 HE21 GLN A 25 -1.583 16.085 -3.467 1.00 1.38 H new ATOM 0 HE22 GLN A 25 -2.431 17.144 -4.599 1.00 1.38 H new ATOM 380 N ASN A 26 -1.797 16.755 2.689 1.00 0.44 N ATOM 381 CA ASN A 26 -2.586 16.820 3.930 1.00 0.49 C ATOM 382 C ASN A 26 -4.035 17.251 3.688 1.00 0.46 C ATOM 383 O ASN A 26 -4.681 17.823 4.568 1.00 0.58 O ATOM 384 CB ASN A 26 -1.916 17.752 4.948 1.00 0.61 C ATOM 385 CG ASN A 26 -1.106 17.003 5.989 1.00 1.02 C ATOM 386 OD1 ASN A 26 -1.622 16.621 7.040 1.00 1.40 O ATOM 387 ND2 ASN A 26 0.173 16.804 5.712 1.00 1.60 N ATOM 0 H ASN A 26 -1.504 15.811 2.437 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.617 15.808 4.334 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -1.265 18.450 4.421 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -2.681 18.346 5.448 1.00 0.61 H new ATOM 0 HD21 ASN A 26 0.770 16.318 6.381 1.00 1.60 H new ATOM 0 HD22 ASN A 26 0.561 17.137 4.829 1.00 1.60 H new ATOM 394 N HIS A 27 -4.548 16.968 2.499 1.00 0.41 N ATOM 395 CA HIS A 27 -5.929 17.305 2.167 1.00 0.44 C ATOM 396 C HIS A 27 -6.463 16.347 1.103 1.00 0.43 C ATOM 397 O HIS A 27 -5.727 15.924 0.214 1.00 0.46 O ATOM 398 CB HIS A 27 -6.067 18.776 1.721 1.00 0.51 C ATOM 399 CG HIS A 27 -5.640 19.067 0.312 1.00 0.55 C ATOM 400 ND1 HIS A 27 -6.496 19.008 -0.769 1.00 0.61 N ATOM 401 CD2 HIS A 27 -4.442 19.450 -0.183 1.00 0.67 C ATOM 402 CE1 HIS A 27 -5.842 19.344 -1.863 1.00 0.69 C ATOM 403 NE2 HIS A 27 -4.595 19.614 -1.535 1.00 0.74 N ATOM 0 H HIS A 27 -4.032 16.507 1.749 1.00 0.41 H new ATOM 0 HA HIS A 27 -6.532 17.192 3.068 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -7.109 19.076 1.836 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -5.480 19.399 2.396 1.00 0.51 H new ATOM 0 HD1 HIS A 27 -7.481 18.745 -0.728 1.00 0.61 H new ATOM 0 HD2 HIS A 27 -3.534 19.599 0.382 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -6.258 19.390 -2.859 1.00 0.69 H new ATOM 412 N PHE A 28 -7.742 16.008 1.209 1.00 0.44 N ATOM 413 CA PHE A 28 -8.384 15.081 0.278 1.00 0.45 C ATOM 414 C PHE A 28 -8.527 15.684 -1.123 1.00 0.45 C ATOM 415 O PHE A 28 -8.777 16.882 -1.274 1.00 0.52 O ATOM 416 CB PHE A 28 -9.765 14.686 0.817 1.00 0.52 C ATOM 417 CG PHE A 28 -10.382 13.496 0.130 1.00 0.47 C ATOM 418 CD1 PHE A 28 -10.124 12.214 0.578 1.00 0.48 C ATOM 419 CD2 PHE A 28 -11.229 13.663 -0.954 1.00 0.60 C ATOM 420 CE1 PHE A 28 -10.696 11.118 -0.041 1.00 0.49 C ATOM 421 CE2 PHE A 28 -11.803 12.571 -1.579 1.00 0.60 C ATOM 422 CZ PHE A 28 -11.536 11.297 -1.121 1.00 0.48 C ATOM 0 H PHE A 28 -8.362 16.364 1.937 1.00 0.44 H new ATOM 0 HA PHE A 28 -7.749 14.199 0.194 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -9.678 14.471 1.882 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -10.438 15.538 0.717 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -9.467 12.067 1.422 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -11.443 14.658 -1.315 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -10.485 10.122 0.321 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -12.459 12.715 -2.424 1.00 0.60 H new ATOM 0 HZ PHE A 28 -11.983 10.442 -1.607 1.00 0.48 H new ATOM 432 N VAL A 29 -8.346 14.843 -2.140 1.00 0.46 N ATOM 433 CA VAL A 29 -8.482 15.251 -3.533 1.00 0.49 C ATOM 434 C VAL A 29 -9.383 14.258 -4.260 1.00 0.52 C ATOM 435 O VAL A 29 -9.044 13.078 -4.403 1.00 0.61 O ATOM 436 CB VAL A 29 -7.121 15.344 -4.255 1.00 0.53 C ATOM 437 CG1 VAL A 29 -7.317 15.611 -5.739 1.00 0.55 C ATOM 438 CG2 VAL A 29 -6.262 16.432 -3.639 1.00 0.64 C ATOM 0 H VAL A 29 -8.101 13.860 -2.019 1.00 0.46 H new ATOM 0 HA VAL A 29 -8.922 16.248 -3.546 1.00 0.49 H new ATOM 0 HB VAL A 29 -6.611 14.388 -4.138 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -6.345 15.673 -6.229 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -7.895 14.800 -6.181 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -7.851 16.552 -5.872 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -5.307 16.481 -4.162 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -6.773 17.391 -3.725 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -6.088 16.206 -2.587 1.00 0.64 H new ATOM 448 N ASP A 30 -10.535 14.737 -4.700 1.00 0.55 N ATOM 449 CA ASP A 30 -11.515 13.898 -5.384 1.00 0.63 C ATOM 450 C ASP A 30 -11.122 13.662 -6.837 1.00 0.60 C ATOM 451 O ASP A 30 -11.231 12.546 -7.352 1.00 0.72 O ATOM 452 CB ASP A 30 -12.890 14.564 -5.330 1.00 0.75 C ATOM 453 CG ASP A 30 -14.035 13.580 -5.478 1.00 0.93 C ATOM 454 OD1 ASP A 30 -14.303 13.128 -6.610 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.699 13.280 -4.461 1.00 0.99 O ATOM 0 H ASP A 30 -10.819 15.711 -4.596 1.00 0.55 H new ATOM 0 HA ASP A 30 -11.548 12.934 -4.877 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -12.994 15.093 -4.383 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -12.956 15.311 -6.121 1.00 0.75 H new ATOM 460 N GLU A 31 -10.665 14.716 -7.501 1.00 0.54 N ATOM 461 CA GLU A 31 -10.284 14.623 -8.903 1.00 0.59 C ATOM 462 C GLU A 31 -8.771 14.509 -9.077 1.00 0.53 C ATOM 463 O GLU A 31 -8.047 15.500 -8.983 1.00 0.53 O ATOM 464 CB GLU A 31 -10.814 15.835 -9.670 1.00 0.69 C ATOM 465 CG GLU A 31 -11.326 15.495 -11.059 1.00 0.83 C ATOM 466 CD GLU A 31 -12.452 14.483 -11.032 1.00 0.99 C ATOM 467 OE1 GLU A 31 -12.246 13.346 -11.502 1.00 1.18 O ATOM 468 OE2 GLU A 31 -13.550 14.817 -10.541 1.00 1.16 O ATOM 0 H GLU A 31 -10.550 15.643 -7.092 1.00 0.54 H new ATOM 0 HA GLU A 31 -10.729 13.714 -9.307 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -11.619 16.294 -9.097 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -10.020 16.577 -9.755 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -11.672 16.406 -11.548 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -10.505 15.104 -11.659 1.00 0.83 H new ATOM 475 N TYR A 32 -8.311 13.294 -9.337 1.00 0.50 N ATOM 476 CA TYR A 32 -6.894 13.015 -9.549 1.00 0.46 C ATOM 477 C TYR A 32 -6.767 11.756 -10.396 1.00 0.44 C ATOM 478 O TYR A 32 -7.198 10.679 -9.974 1.00 0.48 O ATOM 479 CB TYR A 32 -6.168 12.834 -8.213 1.00 0.46 C ATOM 480 CG TYR A 32 -4.656 12.832 -8.320 1.00 0.46 C ATOM 481 CD1 TYR A 32 -3.933 14.014 -8.218 1.00 0.51 C ATOM 482 CD2 TYR A 32 -3.954 11.649 -8.513 1.00 0.46 C ATOM 483 CE1 TYR A 32 -2.555 14.017 -8.304 1.00 0.55 C ATOM 484 CE2 TYR A 32 -2.573 11.644 -8.603 1.00 0.50 C ATOM 485 CZ TYR A 32 -1.878 12.828 -8.497 1.00 0.54 C ATOM 486 OH TYR A 32 -0.505 12.824 -8.577 1.00 0.60 O ATOM 0 H TYR A 32 -8.909 12.471 -9.408 1.00 0.50 H new ATOM 0 HA TYR A 32 -6.432 13.857 -10.065 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -6.472 13.633 -7.537 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.490 11.895 -7.762 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -4.458 14.946 -8.069 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -4.495 10.718 -8.594 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.009 14.945 -8.221 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -2.043 10.716 -8.756 1.00 0.50 H new ATOM 0 HH TYR A 32 -0.125 12.918 -7.679 1.00 0.60 H new ATOM 496 N ASP A 33 -6.183 11.901 -11.582 1.00 0.43 N ATOM 497 CA ASP A 33 -6.023 10.784 -12.510 1.00 0.42 C ATOM 498 C ASP A 33 -5.355 9.585 -11.838 1.00 0.39 C ATOM 499 O ASP A 33 -4.250 9.681 -11.299 1.00 0.42 O ATOM 500 CB ASP A 33 -5.233 11.210 -13.748 1.00 0.50 C ATOM 501 CG ASP A 33 -5.360 10.201 -14.869 1.00 0.55 C ATOM 502 OD1 ASP A 33 -4.484 9.323 -14.989 1.00 0.80 O ATOM 503 OD2 ASP A 33 -6.348 10.276 -15.633 1.00 0.60 O ATOM 0 H ASP A 33 -5.810 12.786 -11.925 1.00 0.43 H new ATOM 0 HA ASP A 33 -7.021 10.478 -12.824 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -5.590 12.181 -14.091 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -4.182 11.331 -13.485 1.00 0.50 H new ATOM 508 N PRO A 34 -6.036 8.431 -11.855 1.00 0.38 N ATOM 509 CA PRO A 34 -5.533 7.211 -11.236 1.00 0.41 C ATOM 510 C PRO A 34 -4.449 6.521 -12.054 1.00 0.42 C ATOM 511 O PRO A 34 -3.691 5.709 -11.520 1.00 0.52 O ATOM 512 CB PRO A 34 -6.772 6.324 -11.146 1.00 0.50 C ATOM 513 CG PRO A 34 -7.669 6.782 -12.241 1.00 0.49 C ATOM 514 CD PRO A 34 -7.362 8.238 -12.472 1.00 0.42 C ATOM 0 HA PRO A 34 -5.060 7.420 -10.277 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -6.511 5.272 -11.266 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -7.256 6.423 -10.175 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.499 6.202 -13.148 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -8.715 6.646 -11.967 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.345 8.478 -13.535 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -8.113 8.881 -12.012 1.00 0.42 H new ATOM 522 N THR A 35 -4.357 6.860 -13.336 1.00 0.37 N ATOM 523 CA THR A 35 -3.375 6.242 -14.218 1.00 0.42 C ATOM 524 C THR A 35 -2.028 6.963 -14.181 1.00 0.40 C ATOM 525 O THR A 35 -1.158 6.720 -15.019 1.00 0.41 O ATOM 526 CB THR A 35 -3.893 6.182 -15.663 1.00 0.52 C ATOM 527 OG1 THR A 35 -5.083 6.975 -15.789 1.00 0.74 O ATOM 528 CG2 THR A 35 -4.185 4.746 -16.066 1.00 0.89 C ATOM 0 H THR A 35 -4.949 7.558 -13.786 1.00 0.37 H new ATOM 0 HA THR A 35 -3.222 5.228 -13.850 1.00 0.42 H new ATOM 0 HB THR A 35 -3.123 6.580 -16.324 1.00 0.52 H new ATOM 0 HG1 THR A 35 -4.838 7.919 -15.884 1.00 0.74 H new ATOM 0 HG21 THR A 35 -4.551 4.723 -17.092 1.00 0.89 H new ATOM 0 HG22 THR A 35 -3.272 4.155 -15.993 1.00 0.89 H new ATOM 0 HG23 THR A 35 -4.942 4.328 -15.402 1.00 0.89 H new ATOM 536 N ILE A 36 -1.856 7.847 -13.202 1.00 0.45 N ATOM 537 CA ILE A 36 -0.606 8.578 -13.047 1.00 0.48 C ATOM 538 C ILE A 36 0.252 7.932 -11.959 1.00 0.47 C ATOM 539 O ILE A 36 -0.040 8.040 -10.766 1.00 0.54 O ATOM 540 CB ILE A 36 -0.842 10.075 -12.719 1.00 0.54 C ATOM 541 CG1 ILE A 36 -1.484 10.778 -13.922 1.00 0.62 C ATOM 542 CG2 ILE A 36 0.470 10.757 -12.346 1.00 0.65 C ATOM 543 CD1 ILE A 36 -1.705 12.265 -13.718 1.00 0.73 C ATOM 0 H ILE A 36 -2.567 8.073 -12.506 1.00 0.45 H new ATOM 0 HA ILE A 36 -0.081 8.530 -14.001 1.00 0.48 H new ATOM 0 HB ILE A 36 -1.517 10.143 -11.866 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -0.851 10.631 -14.797 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -2.442 10.305 -14.139 1.00 0.62 H new ATOM 0 HG21 ILE A 36 0.283 11.807 -12.119 1.00 0.65 H new ATOM 0 HG22 ILE A 36 0.899 10.268 -11.471 1.00 0.65 H new ATOM 0 HG23 ILE A 36 1.168 10.685 -13.180 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -2.162 12.691 -14.611 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -2.364 12.421 -12.864 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -0.748 12.753 -13.532 1.00 0.73 H new ATOM 555 N GLU A 37 1.295 7.236 -12.383 1.00 0.49 N ATOM 556 CA GLU A 37 2.197 6.571 -11.459 1.00 0.48 C ATOM 557 C GLU A 37 3.275 7.546 -11.010 1.00 0.50 C ATOM 558 O GLU A 37 4.348 7.633 -11.612 1.00 0.79 O ATOM 559 CB GLU A 37 2.821 5.349 -12.128 1.00 0.51 C ATOM 560 CG GLU A 37 3.195 4.239 -11.163 1.00 0.57 C ATOM 561 CD GLU A 37 3.042 2.864 -11.779 1.00 0.59 C ATOM 562 OE1 GLU A 37 1.893 2.379 -11.883 1.00 0.64 O ATOM 563 OE2 GLU A 37 4.066 2.261 -12.157 1.00 0.81 O ATOM 0 H GLU A 37 1.538 7.117 -13.367 1.00 0.49 H new ATOM 0 HA GLU A 37 1.640 6.236 -10.584 1.00 0.48 H new ATOM 0 HB2 GLU A 37 2.122 4.955 -12.865 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.714 5.661 -12.670 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.226 4.376 -10.838 1.00 0.57 H new ATOM 0 HG3 GLU A 37 2.569 4.308 -10.274 1.00 0.57 H new ATOM 570 N ASP A 38 2.969 8.295 -9.964 1.00 0.30 N ATOM 571 CA ASP A 38 3.895 9.286 -9.433 1.00 0.33 C ATOM 572 C ASP A 38 4.475 8.819 -8.103 1.00 0.31 C ATOM 573 O ASP A 38 3.917 7.933 -7.452 1.00 0.34 O ATOM 574 CB ASP A 38 3.186 10.629 -9.246 1.00 0.42 C ATOM 575 CG ASP A 38 4.047 11.808 -9.655 1.00 0.54 C ATOM 576 OD1 ASP A 38 3.699 12.490 -10.648 1.00 1.29 O ATOM 577 OD2 ASP A 38 5.073 12.063 -8.985 1.00 1.12 O ATOM 0 H ASP A 38 2.083 8.236 -9.462 1.00 0.30 H new ATOM 0 HA ASP A 38 4.709 9.410 -10.147 1.00 0.33 H new ATOM 0 HB2 ASP A 38 2.267 10.635 -9.832 1.00 0.42 H new ATOM 0 HB3 ASP A 38 2.898 10.740 -8.201 1.00 0.42 H new ATOM 582 N SER A 39 5.584 9.424 -7.704 1.00 0.33 N ATOM 583 CA SER A 39 6.243 9.076 -6.457 1.00 0.35 C ATOM 584 C SER A 39 6.558 10.336 -5.653 1.00 0.27 C ATOM 585 O SER A 39 6.873 11.388 -6.221 1.00 0.35 O ATOM 586 CB SER A 39 7.512 8.264 -6.730 1.00 0.51 C ATOM 587 OG SER A 39 8.290 8.851 -7.762 1.00 0.78 O ATOM 0 H SER A 39 6.048 10.164 -8.231 1.00 0.33 H new ATOM 0 HA SER A 39 5.569 8.457 -5.865 1.00 0.35 H new ATOM 0 HB2 SER A 39 8.106 8.196 -5.818 1.00 0.51 H new ATOM 0 HB3 SER A 39 7.241 7.246 -7.010 1.00 0.51 H new ATOM 0 HG SER A 39 8.191 9.826 -7.732 1.00 0.78 H new ATOM 593 N TYR A 40 6.463 10.229 -4.337 1.00 0.32 N ATOM 594 CA TYR A 40 6.711 11.361 -3.453 1.00 0.33 C ATOM 595 C TYR A 40 7.752 11.012 -2.393 1.00 0.31 C ATOM 596 O TYR A 40 7.862 9.855 -1.981 1.00 0.35 O ATOM 597 CB TYR A 40 5.402 11.796 -2.777 1.00 0.44 C ATOM 598 CG TYR A 40 4.299 12.139 -3.757 1.00 0.53 C ATOM 599 CD1 TYR A 40 3.412 11.166 -4.207 1.00 0.68 C ATOM 600 CD2 TYR A 40 4.149 13.432 -4.234 1.00 0.67 C ATOM 601 CE1 TYR A 40 2.406 11.476 -5.103 1.00 0.79 C ATOM 602 CE2 TYR A 40 3.145 13.750 -5.129 1.00 0.80 C ATOM 603 CZ TYR A 40 2.277 12.769 -5.562 1.00 0.80 C ATOM 604 OH TYR A 40 1.274 13.085 -6.452 1.00 0.94 O ATOM 0 H TYR A 40 6.215 9.366 -3.854 1.00 0.32 H new ATOM 0 HA TYR A 40 7.098 12.183 -4.054 1.00 0.33 H new ATOM 0 HB2 TYR A 40 5.058 10.996 -2.121 1.00 0.44 H new ATOM 0 HB3 TYR A 40 5.599 12.663 -2.146 1.00 0.44 H new ATOM 0 HD1 TYR A 40 3.511 10.151 -3.850 1.00 0.68 H new ATOM 0 HD2 TYR A 40 4.828 14.203 -3.901 1.00 0.67 H new ATOM 0 HE1 TYR A 40 1.725 10.709 -5.441 1.00 0.79 H new ATOM 0 HE2 TYR A 40 3.040 14.763 -5.488 1.00 0.80 H new ATOM 0 HH TYR A 40 1.322 14.038 -6.674 1.00 0.94 H new ATOM 614 N ARG A 41 8.518 12.015 -1.963 1.00 0.33 N ATOM 615 CA ARG A 41 9.545 11.822 -0.947 1.00 0.34 C ATOM 616 C ARG A 41 9.315 12.761 0.226 1.00 0.40 C ATOM 617 O ARG A 41 9.235 13.973 0.041 1.00 0.53 O ATOM 618 CB ARG A 41 10.938 12.084 -1.527 1.00 0.40 C ATOM 619 CG ARG A 41 11.719 10.825 -1.859 1.00 0.38 C ATOM 620 CD ARG A 41 11.113 10.085 -3.039 1.00 0.36 C ATOM 621 NE ARG A 41 10.943 10.954 -4.205 1.00 0.40 N ATOM 622 CZ ARG A 41 10.466 10.544 -5.378 1.00 0.48 C ATOM 623 NH1 ARG A 41 10.118 9.278 -5.552 1.00 0.56 N ATOM 624 NH2 ARG A 41 10.334 11.403 -6.378 1.00 0.56 N ATOM 0 H ARG A 41 8.443 12.973 -2.306 1.00 0.33 H new ATOM 0 HA ARG A 41 9.485 10.789 -0.606 1.00 0.34 H new ATOM 0 HB2 ARG A 41 10.836 12.684 -2.431 1.00 0.40 H new ATOM 0 HB3 ARG A 41 11.511 12.677 -0.814 1.00 0.40 H new ATOM 0 HG2 ARG A 41 12.753 11.087 -2.085 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.739 10.169 -0.989 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.752 9.243 -3.305 1.00 0.36 H new ATOM 0 HD3 ARG A 41 10.146 9.673 -2.750 1.00 0.36 H new ATOM 0 HE ARG A 41 11.207 11.935 -4.113 1.00 0.40 H new ATOM 0 HH11 ARG A 41 10.215 8.612 -4.785 1.00 0.56 H new ATOM 0 HH12 ARG A 41 9.753 8.969 -6.453 1.00 0.56 H new ATOM 0 HH21 ARG A 41 10.598 12.380 -6.249 1.00 0.56 H new ATOM 0 HH22 ARG A 41 9.968 11.088 -7.276 1.00 0.56 H new ATOM 638 N LYS A 42 9.198 12.203 1.421 1.00 0.36 N ATOM 639 CA LYS A 42 8.989 13.000 2.616 1.00 0.44 C ATOM 640 C LYS A 42 9.714 12.375 3.801 1.00 0.36 C ATOM 641 O LYS A 42 9.514 11.202 4.116 1.00 0.32 O ATOM 642 CB LYS A 42 7.496 13.135 2.919 1.00 0.56 C ATOM 643 CG LYS A 42 7.189 14.168 3.993 1.00 0.72 C ATOM 644 CD LYS A 42 5.828 14.814 3.786 1.00 1.07 C ATOM 645 CE LYS A 42 5.740 16.164 4.483 1.00 1.33 C ATOM 646 NZ LYS A 42 6.650 17.166 3.867 1.00 1.46 N ATOM 0 H LYS A 42 9.245 11.198 1.587 1.00 0.36 H new ATOM 0 HA LYS A 42 9.396 13.996 2.441 1.00 0.44 H new ATOM 0 HB2 LYS A 42 6.970 13.406 2.004 1.00 0.56 H new ATOM 0 HB3 LYS A 42 7.108 12.167 3.235 1.00 0.56 H new ATOM 0 HG2 LYS A 42 7.220 13.693 4.973 1.00 0.72 H new ATOM 0 HG3 LYS A 42 7.961 14.938 3.988 1.00 0.72 H new ATOM 0 HD2 LYS A 42 5.643 14.941 2.719 1.00 1.07 H new ATOM 0 HD3 LYS A 42 5.049 14.154 4.168 1.00 1.07 H new ATOM 0 HE2 LYS A 42 4.714 16.529 4.438 1.00 1.33 H new ATOM 0 HE3 LYS A 42 5.991 16.045 5.537 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 6.305 18.124 4.079 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 7.608 17.049 4.254 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 6.674 17.026 2.837 1.00 1.46 H new ATOM 660 N GLN A 43 10.561 13.157 4.448 1.00 0.46 N ATOM 661 CA GLN A 43 11.305 12.683 5.603 1.00 0.42 C ATOM 662 C GLN A 43 10.487 12.864 6.878 1.00 0.48 C ATOM 663 O GLN A 43 10.098 13.978 7.229 1.00 0.63 O ATOM 664 CB GLN A 43 12.649 13.409 5.728 1.00 0.53 C ATOM 665 CG GLN A 43 12.566 14.917 5.528 1.00 0.73 C ATOM 666 CD GLN A 43 13.860 15.621 5.896 1.00 1.26 C ATOM 667 OE1 GLN A 43 14.043 16.051 7.036 1.00 1.75 O ATOM 668 NE2 GLN A 43 14.766 15.747 4.936 1.00 1.89 N ATOM 0 H GLN A 43 10.751 14.126 4.192 1.00 0.46 H new ATOM 0 HA GLN A 43 11.503 11.621 5.461 1.00 0.42 H new ATOM 0 HB2 GLN A 43 13.068 13.207 6.714 1.00 0.53 H new ATOM 0 HB3 GLN A 43 13.342 12.994 4.996 1.00 0.53 H new ATOM 0 HG2 GLN A 43 12.323 15.130 4.487 1.00 0.73 H new ATOM 0 HG3 GLN A 43 11.753 15.317 6.134 1.00 0.73 H new ATOM 0 HE21 GLN A 43 14.577 15.377 4.004 1.00 1.89 H new ATOM 0 HE22 GLN A 43 15.652 16.214 5.129 1.00 1.89 H new ATOM 677 N VAL A 44 10.217 11.760 7.553 1.00 0.41 N ATOM 678 CA VAL A 44 9.437 11.779 8.785 1.00 0.50 C ATOM 679 C VAL A 44 10.168 11.012 9.882 1.00 0.41 C ATOM 680 O VAL A 44 10.793 9.983 9.614 1.00 0.38 O ATOM 681 CB VAL A 44 8.031 11.159 8.577 1.00 0.65 C ATOM 682 CG1 VAL A 44 7.243 11.126 9.880 1.00 0.92 C ATOM 683 CG2 VAL A 44 7.253 11.918 7.513 1.00 1.09 C ATOM 0 H VAL A 44 10.528 10.831 7.268 1.00 0.41 H new ATOM 0 HA VAL A 44 9.315 12.821 9.080 1.00 0.50 H new ATOM 0 HB VAL A 44 8.174 10.133 8.238 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.262 10.686 9.701 1.00 0.92 H new ATOM 0 HG12 VAL A 44 7.781 10.527 10.615 1.00 0.92 H new ATOM 0 HG13 VAL A 44 7.122 12.141 10.258 1.00 0.92 H new ATOM 0 HG21 VAL A 44 6.271 11.463 7.387 1.00 1.09 H new ATOM 0 HG22 VAL A 44 7.135 12.957 7.821 1.00 1.09 H new ATOM 0 HG23 VAL A 44 7.795 11.879 6.568 1.00 1.09 H new ATOM 693 N VAL A 45 10.109 11.523 11.103 1.00 0.46 N ATOM 694 CA VAL A 45 10.758 10.877 12.230 1.00 0.41 C ATOM 695 C VAL A 45 9.815 9.854 12.851 1.00 0.46 C ATOM 696 O VAL A 45 8.841 10.212 13.509 1.00 0.65 O ATOM 697 CB VAL A 45 11.201 11.899 13.300 1.00 0.43 C ATOM 698 CG1 VAL A 45 11.882 11.194 14.467 1.00 0.47 C ATOM 699 CG2 VAL A 45 12.132 12.933 12.689 1.00 0.54 C ATOM 0 H VAL A 45 9.617 12.385 11.337 1.00 0.46 H new ATOM 0 HA VAL A 45 11.652 10.377 11.858 1.00 0.41 H new ATOM 0 HB VAL A 45 10.314 12.408 13.678 1.00 0.43 H new ATOM 0 HG11 VAL A 45 12.187 11.931 15.210 1.00 0.47 H new ATOM 0 HG12 VAL A 45 11.187 10.487 14.921 1.00 0.47 H new ATOM 0 HG13 VAL A 45 12.760 10.658 14.106 1.00 0.47 H new ATOM 0 HG21 VAL A 45 12.436 13.647 13.455 1.00 0.54 H new ATOM 0 HG22 VAL A 45 13.014 12.435 12.286 1.00 0.54 H new ATOM 0 HG23 VAL A 45 11.615 13.460 11.887 1.00 0.54 H new ATOM 709 N ILE A 46 10.098 8.582 12.619 1.00 0.45 N ATOM 710 CA ILE A 46 9.275 7.505 13.142 1.00 0.52 C ATOM 711 C ILE A 46 10.025 6.741 14.221 1.00 0.47 C ATOM 712 O ILE A 46 11.053 6.120 13.946 1.00 0.47 O ATOM 713 CB ILE A 46 8.860 6.520 12.030 1.00 0.65 C ATOM 714 CG1 ILE A 46 8.301 7.274 10.817 1.00 0.79 C ATOM 715 CG2 ILE A 46 7.831 5.529 12.557 1.00 1.06 C ATOM 716 CD1 ILE A 46 8.054 6.392 9.608 1.00 0.81 C ATOM 0 H ILE A 46 10.897 8.270 12.068 1.00 0.45 H new ATOM 0 HA ILE A 46 8.378 7.959 13.563 1.00 0.52 H new ATOM 0 HB ILE A 46 9.746 5.969 11.713 1.00 0.65 H new ATOM 0 HG12 ILE A 46 7.365 7.756 11.100 1.00 0.79 H new ATOM 0 HG13 ILE A 46 8.997 8.066 10.541 1.00 0.79 H new ATOM 0 HG21 ILE A 46 7.548 4.840 11.761 1.00 1.06 H new ATOM 0 HG22 ILE A 46 8.259 4.967 13.387 1.00 1.06 H new ATOM 0 HG23 ILE A 46 6.949 6.069 12.901 1.00 1.06 H new ATOM 0 HD11 ILE A 46 7.659 6.996 8.791 1.00 0.81 H new ATOM 0 HD12 ILE A 46 8.991 5.930 9.297 1.00 0.81 H new ATOM 0 HD13 ILE A 46 7.334 5.615 9.865 1.00 0.81 H new ATOM 728 N ASP A 47 9.511 6.810 15.447 1.00 0.48 N ATOM 729 CA ASP A 47 10.104 6.118 16.594 1.00 0.50 C ATOM 730 C ASP A 47 11.523 6.607 16.864 1.00 0.45 C ATOM 731 O ASP A 47 12.430 5.809 17.108 1.00 0.53 O ATOM 732 CB ASP A 47 10.113 4.602 16.379 1.00 0.56 C ATOM 733 CG ASP A 47 8.728 4.015 16.218 1.00 0.65 C ATOM 734 OD1 ASP A 47 7.785 4.477 16.896 1.00 0.97 O ATOM 735 OD2 ASP A 47 8.576 3.070 15.418 1.00 0.79 O ATOM 0 H ASP A 47 8.673 7.345 15.675 1.00 0.48 H new ATOM 0 HA ASP A 47 9.486 6.347 17.462 1.00 0.50 H new ATOM 0 HB2 ASP A 47 10.704 4.371 15.493 1.00 0.56 H new ATOM 0 HB3 ASP A 47 10.607 4.124 17.225 1.00 0.56 H new ATOM 740 N GLY A 48 11.703 7.920 16.810 1.00 0.41 N ATOM 741 CA GLY A 48 13.002 8.515 17.064 1.00 0.43 C ATOM 742 C GLY A 48 14.007 8.258 15.957 1.00 0.43 C ATOM 743 O GLY A 48 15.211 8.234 16.205 1.00 0.60 O ATOM 0 H GLY A 48 10.965 8.590 16.593 1.00 0.41 H new ATOM 0 HA2 GLY A 48 12.882 9.591 17.194 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.396 8.123 18.001 1.00 0.43 H new ATOM 747 N GLU A 49 13.522 8.074 14.736 1.00 0.40 N ATOM 748 CA GLU A 49 14.394 7.811 13.597 1.00 0.43 C ATOM 749 C GLU A 49 13.949 8.596 12.367 1.00 0.34 C ATOM 750 O GLU A 49 12.818 8.445 11.910 1.00 0.36 O ATOM 751 CB GLU A 49 14.400 6.315 13.279 1.00 0.52 C ATOM 752 CG GLU A 49 15.207 5.488 14.264 1.00 0.72 C ATOM 753 CD GLU A 49 16.475 4.941 13.652 1.00 0.96 C ATOM 754 OE1 GLU A 49 17.266 5.735 13.097 1.00 1.30 O ATOM 755 OE2 GLU A 49 16.684 3.712 13.713 1.00 1.41 O ATOM 0 H GLU A 49 12.528 8.102 14.508 1.00 0.40 H new ATOM 0 HA GLU A 49 15.401 8.133 13.862 1.00 0.43 H new ATOM 0 HB2 GLU A 49 13.373 5.950 13.267 1.00 0.52 H new ATOM 0 HB3 GLU A 49 14.803 6.167 12.277 1.00 0.52 H new ATOM 0 HG2 GLU A 49 15.459 6.102 15.129 1.00 0.72 H new ATOM 0 HG3 GLU A 49 14.596 4.662 14.627 1.00 0.72 H new ATOM 762 N THR A 50 14.830 9.441 11.839 1.00 0.35 N ATOM 763 CA THR A 50 14.520 10.232 10.654 1.00 0.32 C ATOM 764 C THR A 50 14.566 9.351 9.402 1.00 0.30 C ATOM 765 O THR A 50 15.643 9.011 8.907 1.00 0.38 O ATOM 766 CB THR A 50 15.511 11.401 10.491 1.00 0.45 C ATOM 767 OG1 THR A 50 15.884 11.917 11.781 1.00 0.63 O ATOM 768 CG2 THR A 50 14.900 12.513 9.653 1.00 0.47 C ATOM 0 H THR A 50 15.766 9.595 12.215 1.00 0.35 H new ATOM 0 HA THR A 50 13.517 10.639 10.779 1.00 0.32 H new ATOM 0 HB THR A 50 16.399 11.026 9.981 1.00 0.45 H new ATOM 0 HG1 THR A 50 16.515 12.658 11.667 1.00 0.63 H new ATOM 0 HG21 THR A 50 15.617 13.328 9.551 1.00 0.47 H new ATOM 0 HG22 THR A 50 14.646 12.127 8.666 1.00 0.47 H new ATOM 0 HG23 THR A 50 13.998 12.883 10.141 1.00 0.47 H new ATOM 776 N CYS A 51 13.400 8.984 8.896 1.00 0.31 N ATOM 777 CA CYS A 51 13.318 8.125 7.727 1.00 0.40 C ATOM 778 C CYS A 51 12.797 8.878 6.508 1.00 0.34 C ATOM 779 O CYS A 51 11.859 9.670 6.612 1.00 0.35 O ATOM 780 CB CYS A 51 12.398 6.939 8.033 1.00 0.53 C ATOM 781 SG CYS A 51 12.702 6.161 9.640 1.00 0.71 S ATOM 0 H CYS A 51 12.497 9.268 9.277 1.00 0.31 H new ATOM 0 HA CYS A 51 14.323 7.772 7.495 1.00 0.40 H new ATOM 0 HB2 CYS A 51 11.363 7.277 7.996 1.00 0.53 H new ATOM 0 HB3 CYS A 51 12.517 6.190 7.250 1.00 0.53 H new ATOM 0 HG CYS A 51 12.752 7.076 10.562 1.00 0.71 H new ATOM 787 N LEU A 52 13.422 8.635 5.359 1.00 0.32 N ATOM 788 CA LEU A 52 13.006 9.259 4.112 1.00 0.30 C ATOM 789 C LEU A 52 12.013 8.334 3.428 1.00 0.28 C ATOM 790 O LEU A 52 12.377 7.245 2.985 1.00 0.35 O ATOM 791 CB LEU A 52 14.210 9.526 3.197 1.00 0.37 C ATOM 792 CG LEU A 52 13.891 10.280 1.898 1.00 0.40 C ATOM 793 CD1 LEU A 52 13.359 11.673 2.204 1.00 0.48 C ATOM 794 CD2 LEU A 52 15.128 10.366 1.013 1.00 0.47 C ATOM 0 H LEU A 52 14.221 8.008 5.269 1.00 0.32 H new ATOM 0 HA LEU A 52 12.541 10.222 4.323 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.951 10.097 3.756 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.669 8.571 2.940 1.00 0.37 H new ATOM 0 HG LEU A 52 13.120 9.727 1.362 1.00 0.40 H new ATOM 0 HD11 LEU A 52 13.139 12.191 1.271 1.00 0.48 H new ATOM 0 HD12 LEU A 52 12.449 11.592 2.798 1.00 0.48 H new ATOM 0 HD13 LEU A 52 14.108 12.234 2.763 1.00 0.48 H new ATOM 0 HD21 LEU A 52 14.883 10.904 0.097 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.919 10.895 1.544 1.00 0.47 H new ATOM 0 HD23 LEU A 52 15.468 9.361 0.764 1.00 0.47 H new ATOM 806 N LEU A 53 10.764 8.761 3.363 1.00 0.27 N ATOM 807 CA LEU A 53 9.712 7.943 2.775 1.00 0.29 C ATOM 808 C LEU A 53 9.541 8.176 1.277 1.00 0.25 C ATOM 809 O LEU A 53 9.153 9.264 0.843 1.00 0.30 O ATOM 810 CB LEU A 53 8.385 8.206 3.492 1.00 0.37 C ATOM 811 CG LEU A 53 8.420 8.036 5.014 1.00 0.39 C ATOM 812 CD1 LEU A 53 7.086 8.428 5.627 1.00 0.59 C ATOM 813 CD2 LEU A 53 8.775 6.606 5.391 1.00 0.87 C ATOM 0 H LEU A 53 10.451 9.668 3.709 1.00 0.27 H new ATOM 0 HA LEU A 53 10.013 6.903 2.904 1.00 0.29 H new ATOM 0 HB2 LEU A 53 8.062 9.222 3.263 1.00 0.37 H new ATOM 0 HB3 LEU A 53 7.631 7.533 3.085 1.00 0.37 H new ATOM 0 HG LEU A 53 9.192 8.697 5.410 1.00 0.39 H new ATOM 0 HD11 LEU A 53 7.131 8.300 6.709 1.00 0.59 H new ATOM 0 HD12 LEU A 53 6.871 9.471 5.393 1.00 0.59 H new ATOM 0 HD13 LEU A 53 6.298 7.795 5.219 1.00 0.59 H new ATOM 0 HD21 LEU A 53 8.794 6.510 6.477 1.00 0.87 H new ATOM 0 HD22 LEU A 53 8.030 5.925 4.979 1.00 0.87 H new ATOM 0 HD23 LEU A 53 9.756 6.356 4.988 1.00 0.87 H new ATOM 825 N ASP A 54 9.846 7.146 0.501 1.00 0.23 N ATOM 826 CA ASP A 54 9.688 7.174 -0.950 1.00 0.24 C ATOM 827 C ASP A 54 8.474 6.323 -1.302 1.00 0.24 C ATOM 828 O ASP A 54 8.540 5.094 -1.291 1.00 0.28 O ATOM 829 CB ASP A 54 10.955 6.638 -1.635 1.00 0.26 C ATOM 830 CG ASP A 54 10.769 6.355 -3.117 1.00 0.39 C ATOM 831 OD1 ASP A 54 10.318 7.256 -3.854 1.00 0.96 O ATOM 832 OD2 ASP A 54 11.107 5.237 -3.559 1.00 1.03 O ATOM 0 H ASP A 54 10.211 6.263 0.859 1.00 0.23 H new ATOM 0 HA ASP A 54 9.538 8.195 -1.300 1.00 0.24 H new ATOM 0 HB2 ASP A 54 11.760 7.362 -1.510 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.269 5.722 -1.135 1.00 0.26 H new ATOM 837 N ILE A 55 7.359 6.979 -1.574 1.00 0.24 N ATOM 838 CA ILE A 55 6.124 6.277 -1.878 1.00 0.27 C ATOM 839 C ILE A 55 5.773 6.369 -3.355 1.00 0.26 C ATOM 840 O ILE A 55 5.967 7.408 -3.987 1.00 0.34 O ATOM 841 CB ILE A 55 4.953 6.844 -1.046 1.00 0.34 C ATOM 842 CG1 ILE A 55 5.365 7.019 0.421 1.00 0.46 C ATOM 843 CG2 ILE A 55 3.734 5.941 -1.154 1.00 0.40 C ATOM 844 CD1 ILE A 55 4.275 7.618 1.286 1.00 0.68 C ATOM 0 H ILE A 55 7.283 7.996 -1.591 1.00 0.24 H new ATOM 0 HA ILE A 55 6.284 5.230 -1.621 1.00 0.27 H new ATOM 0 HB ILE A 55 4.692 7.823 -1.447 1.00 0.34 H new ATOM 0 HG12 ILE A 55 5.650 6.049 0.829 1.00 0.46 H new ATOM 0 HG13 ILE A 55 6.248 7.657 0.469 1.00 0.46 H new ATOM 0 HG21 ILE A 55 2.919 6.357 -0.561 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.425 5.871 -2.197 1.00 0.40 H new ATOM 0 HG23 ILE A 55 3.983 4.947 -0.782 1.00 0.40 H new ATOM 0 HD11 ILE A 55 4.635 7.713 2.310 1.00 0.68 H new ATOM 0 HD12 ILE A 55 4.006 8.602 0.903 1.00 0.68 H new ATOM 0 HD13 ILE A 55 3.399 6.970 1.268 1.00 0.68 H new ATOM 856 N LEU A 56 5.252 5.272 -3.895 1.00 0.30 N ATOM 857 CA LEU A 56 4.853 5.209 -5.294 1.00 0.32 C ATOM 858 C LEU A 56 3.377 4.839 -5.429 1.00 0.33 C ATOM 859 O LEU A 56 2.927 3.829 -4.886 1.00 0.39 O ATOM 860 CB LEU A 56 5.718 4.187 -6.048 1.00 0.37 C ATOM 861 CG LEU A 56 5.398 4.018 -7.536 1.00 0.42 C ATOM 862 CD1 LEU A 56 5.698 5.299 -8.295 1.00 0.45 C ATOM 863 CD2 LEU A 56 6.195 2.863 -8.123 1.00 0.46 C ATOM 0 H LEU A 56 5.096 4.407 -3.378 1.00 0.30 H new ATOM 0 HA LEU A 56 5.001 6.197 -5.730 1.00 0.32 H new ATOM 0 HB2 LEU A 56 6.763 4.481 -5.951 1.00 0.37 H new ATOM 0 HB3 LEU A 56 5.612 3.218 -5.560 1.00 0.37 H new ATOM 0 HG LEU A 56 4.335 3.796 -7.634 1.00 0.42 H new ATOM 0 HD11 LEU A 56 5.464 5.160 -9.351 1.00 0.45 H new ATOM 0 HD12 LEU A 56 5.091 6.111 -7.893 1.00 0.45 H new ATOM 0 HD13 LEU A 56 6.754 5.547 -8.187 1.00 0.45 H new ATOM 0 HD21 LEU A 56 5.956 2.757 -9.181 1.00 0.46 H new ATOM 0 HD22 LEU A 56 7.261 3.062 -8.010 1.00 0.46 H new ATOM 0 HD23 LEU A 56 5.940 1.942 -7.599 1.00 0.46 H new ATOM 875 N ASP A 57 2.631 5.667 -6.152 1.00 0.32 N ATOM 876 CA ASP A 57 1.207 5.428 -6.383 1.00 0.34 C ATOM 877 C ASP A 57 1.032 4.648 -7.684 1.00 0.36 C ATOM 878 O ASP A 57 1.121 5.220 -8.771 1.00 0.40 O ATOM 879 CB ASP A 57 0.440 6.763 -6.441 1.00 0.35 C ATOM 880 CG ASP A 57 -0.967 6.623 -6.982 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.760 5.798 -6.512 1.00 0.37 O ATOM 882 OD2 ASP A 57 -1.376 7.362 -7.885 1.00 0.44 O ATOM 0 H ASP A 57 2.989 6.515 -6.591 1.00 0.32 H new ATOM 0 HA ASP A 57 0.800 4.843 -5.558 1.00 0.34 H new ATOM 0 HB2 ASP A 57 0.396 7.192 -5.440 1.00 0.35 H new ATOM 0 HB3 ASP A 57 0.993 7.465 -7.065 1.00 0.35 H new ATOM 887 N THR A 58 0.793 3.345 -7.568 1.00 0.40 N ATOM 888 CA THR A 58 0.644 2.490 -8.738 1.00 0.44 C ATOM 889 C THR A 58 -0.617 2.816 -9.533 1.00 0.41 C ATOM 890 O THR A 58 -1.704 3.005 -8.972 1.00 0.49 O ATOM 891 CB THR A 58 0.637 1.000 -8.342 1.00 0.53 C ATOM 892 OG1 THR A 58 -0.301 0.775 -7.286 1.00 0.61 O ATOM 893 CG2 THR A 58 2.024 0.554 -7.898 1.00 0.73 C ATOM 0 H THR A 58 0.699 2.860 -6.676 1.00 0.40 H new ATOM 0 HA THR A 58 1.506 2.686 -9.376 1.00 0.44 H new ATOM 0 HB THR A 58 0.344 0.417 -9.215 1.00 0.53 H new ATOM 0 HG1 THR A 58 0.147 0.886 -6.421 1.00 0.61 H new ATOM 0 HG21 THR A 58 1.996 -0.500 -7.623 1.00 0.73 H new ATOM 0 HG22 THR A 58 2.731 0.698 -8.715 1.00 0.73 H new ATOM 0 HG23 THR A 58 2.338 1.145 -7.038 1.00 0.73 H new ATOM 901 N ALA A 59 -0.454 2.889 -10.842 1.00 0.41 N ATOM 902 CA ALA A 59 -1.548 3.180 -11.745 1.00 0.39 C ATOM 903 C ALA A 59 -2.229 1.890 -12.172 1.00 0.40 C ATOM 904 O ALA A 59 -3.450 1.835 -12.310 1.00 0.56 O ATOM 905 CB ALA A 59 -1.031 3.926 -12.961 1.00 0.43 C ATOM 0 H ALA A 59 0.443 2.748 -11.307 1.00 0.41 H new ATOM 0 HA ALA A 59 -2.276 3.807 -11.230 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -1.860 4.141 -13.635 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.568 4.861 -12.645 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -0.293 3.312 -13.478 1.00 0.43 H new ATOM 911 N GLY A 60 -1.428 0.855 -12.377 1.00 0.42 N ATOM 912 CA GLY A 60 -1.961 -0.425 -12.786 1.00 0.46 C ATOM 913 C GLY A 60 -1.061 -1.140 -13.774 1.00 0.47 C ATOM 914 O GLY A 60 -0.125 -1.836 -13.381 1.00 0.72 O ATOM 0 H GLY A 60 -0.414 0.881 -12.266 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -2.102 -1.054 -11.907 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -2.944 -0.279 -13.234 1.00 0.46 H new ATOM 918 N GLN A 61 -1.344 -0.973 -15.056 1.00 0.43 N ATOM 919 CA GLN A 61 -0.551 -1.603 -16.098 1.00 0.51 C ATOM 920 C GLN A 61 0.411 -0.611 -16.733 1.00 0.44 C ATOM 921 O GLN A 61 -0.003 0.404 -17.309 1.00 0.63 O ATOM 922 CB GLN A 61 -1.453 -2.203 -17.178 1.00 0.71 C ATOM 923 CG GLN A 61 -2.150 -3.484 -16.751 1.00 0.80 C ATOM 924 CD GLN A 61 -1.183 -4.610 -16.427 1.00 1.04 C ATOM 925 OE1 GLN A 61 -0.109 -4.723 -17.026 1.00 1.23 O ATOM 926 NE2 GLN A 61 -1.552 -5.450 -15.473 1.00 1.26 N ATOM 0 H GLN A 61 -2.119 -0.405 -15.400 1.00 0.43 H new ATOM 0 HA GLN A 61 0.027 -2.400 -15.631 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -2.206 -1.467 -17.460 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -0.855 -2.404 -18.067 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -2.767 -3.280 -15.876 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -2.821 -3.808 -17.546 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -2.447 -5.324 -15.001 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -0.941 -6.223 -15.210 1.00 1.26 H new ATOM 935 N GLU A 62 1.692 -0.899 -16.603 1.00 0.51 N ATOM 936 CA GLU A 62 2.719 -0.064 -17.189 1.00 0.54 C ATOM 937 C GLU A 62 2.955 -0.494 -18.627 1.00 0.54 C ATOM 938 O GLU A 62 2.483 -1.557 -19.044 1.00 0.59 O ATOM 939 CB GLU A 62 4.026 -0.148 -16.394 1.00 0.70 C ATOM 940 CG GLU A 62 4.314 1.096 -15.563 1.00 0.81 C ATOM 941 CD GLU A 62 4.616 2.317 -16.416 1.00 0.96 C ATOM 942 OE1 GLU A 62 5.500 3.108 -16.030 1.00 1.57 O ATOM 943 OE2 GLU A 62 3.970 2.497 -17.477 1.00 1.43 O ATOM 0 H GLU A 62 2.046 -1.709 -16.094 1.00 0.51 H new ATOM 0 HA GLU A 62 2.380 0.972 -17.163 1.00 0.54 H new ATOM 0 HB2 GLU A 62 3.985 -1.014 -15.734 1.00 0.70 H new ATOM 0 HB3 GLU A 62 4.852 -0.313 -17.085 1.00 0.70 H new ATOM 0 HG2 GLU A 62 3.456 1.308 -14.925 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.160 0.900 -14.905 1.00 0.81 H new ATOM 950 N GLU A 63 3.673 0.329 -19.379 1.00 0.55 N ATOM 951 CA GLU A 63 3.966 0.033 -20.778 1.00 0.59 C ATOM 952 C GLU A 63 4.613 -1.342 -20.920 1.00 0.47 C ATOM 953 O GLU A 63 4.155 -2.182 -21.696 1.00 0.50 O ATOM 954 CB GLU A 63 4.881 1.106 -21.372 1.00 0.70 C ATOM 955 CG GLU A 63 5.115 0.946 -22.869 1.00 0.96 C ATOM 956 CD GLU A 63 6.072 1.977 -23.427 1.00 1.10 C ATOM 957 OE1 GLU A 63 7.084 2.290 -22.759 1.00 1.32 O ATOM 958 OE2 GLU A 63 5.827 2.473 -24.546 1.00 1.38 O ATOM 0 H GLU A 63 4.065 1.209 -19.044 1.00 0.55 H new ATOM 0 HA GLU A 63 3.024 0.029 -21.326 1.00 0.59 H new ATOM 0 HB2 GLU A 63 4.446 2.088 -21.183 1.00 0.70 H new ATOM 0 HB3 GLU A 63 5.841 1.078 -20.857 1.00 0.70 H new ATOM 0 HG2 GLU A 63 5.508 -0.052 -23.066 1.00 0.96 H new ATOM 0 HG3 GLU A 63 4.161 1.022 -23.391 1.00 0.96 H new ATOM 965 N TYR A 64 5.677 -1.565 -20.168 1.00 0.40 N ATOM 966 CA TYR A 64 6.381 -2.831 -20.201 1.00 0.34 C ATOM 967 C TYR A 64 6.315 -3.506 -18.838 1.00 0.30 C ATOM 968 O TYR A 64 6.419 -2.838 -17.810 1.00 0.30 O ATOM 969 CB TYR A 64 7.837 -2.616 -20.610 1.00 0.36 C ATOM 970 CG TYR A 64 8.011 -2.179 -22.048 1.00 0.44 C ATOM 971 CD1 TYR A 64 7.467 -2.921 -23.085 1.00 0.59 C ATOM 972 CD2 TYR A 64 8.721 -1.029 -22.368 1.00 0.66 C ATOM 973 CE1 TYR A 64 7.623 -2.534 -24.403 1.00 0.68 C ATOM 974 CE2 TYR A 64 8.882 -0.633 -23.683 1.00 0.76 C ATOM 975 CZ TYR A 64 8.330 -1.387 -24.698 1.00 0.67 C ATOM 976 OH TYR A 64 8.488 -0.994 -26.011 1.00 0.81 O ATOM 0 H TYR A 64 6.073 -0.880 -19.524 1.00 0.40 H new ATOM 0 HA TYR A 64 5.902 -3.477 -20.937 1.00 0.34 H new ATOM 0 HB2 TYR A 64 8.281 -1.865 -19.956 1.00 0.36 H new ATOM 0 HB3 TYR A 64 8.389 -3.543 -20.453 1.00 0.36 H new ATOM 0 HD1 TYR A 64 6.911 -3.819 -22.859 1.00 0.59 H new ATOM 0 HD2 TYR A 64 9.154 -0.435 -21.577 1.00 0.66 H new ATOM 0 HE1 TYR A 64 7.194 -3.127 -25.197 1.00 0.68 H new ATOM 0 HE2 TYR A 64 9.438 0.263 -23.915 1.00 0.76 H new ATOM 0 HH TYR A 64 9.010 -0.165 -26.044 1.00 0.81 H new ATOM 986 N SER A 65 6.151 -4.823 -18.832 1.00 0.32 N ATOM 987 CA SER A 65 6.066 -5.582 -17.589 1.00 0.34 C ATOM 988 C SER A 65 7.367 -5.481 -16.795 1.00 0.30 C ATOM 989 O SER A 65 7.362 -5.531 -15.565 1.00 0.35 O ATOM 990 CB SER A 65 5.730 -7.042 -17.886 1.00 0.40 C ATOM 991 OG SER A 65 4.479 -7.137 -18.546 1.00 0.63 O ATOM 0 H SER A 65 6.074 -5.390 -19.676 1.00 0.32 H new ATOM 0 HA SER A 65 5.269 -5.155 -16.980 1.00 0.34 H new ATOM 0 HB2 SER A 65 6.510 -7.482 -18.507 1.00 0.40 H new ATOM 0 HB3 SER A 65 5.702 -7.612 -16.957 1.00 0.40 H new ATOM 0 HG SER A 65 4.278 -8.078 -18.731 1.00 0.63 H new ATOM 997 N ALA A 66 8.476 -5.303 -17.511 1.00 0.26 N ATOM 998 CA ALA A 66 9.786 -5.174 -16.884 1.00 0.26 C ATOM 999 C ALA A 66 9.846 -3.911 -16.040 1.00 0.26 C ATOM 1000 O ALA A 66 10.608 -3.826 -15.076 1.00 0.32 O ATOM 1001 CB ALA A 66 10.885 -5.163 -17.935 1.00 0.26 C ATOM 0 H ALA A 66 8.491 -5.245 -18.529 1.00 0.26 H new ATOM 0 HA ALA A 66 9.943 -6.035 -16.234 1.00 0.26 H new ATOM 0 HB1 ALA A 66 11.855 -5.066 -17.447 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.856 -6.094 -18.502 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.734 -4.321 -18.611 1.00 0.26 H new ATOM 1007 N MET A 67 9.032 -2.932 -16.412 1.00 0.25 N ATOM 1008 CA MET A 67 8.969 -1.673 -15.687 1.00 0.30 C ATOM 1009 C MET A 67 8.259 -1.884 -14.360 1.00 0.30 C ATOM 1010 O MET A 67 8.640 -1.310 -13.344 1.00 0.34 O ATOM 1011 CB MET A 67 8.250 -0.610 -16.523 1.00 0.36 C ATOM 1012 CG MET A 67 9.085 -0.085 -17.679 1.00 0.50 C ATOM 1013 SD MET A 67 8.094 0.719 -18.960 1.00 0.63 S ATOM 1014 CE MET A 67 7.700 2.280 -18.171 1.00 0.69 C ATOM 0 H MET A 67 8.405 -2.987 -17.214 1.00 0.25 H new ATOM 0 HA MET A 67 9.982 -1.321 -15.493 1.00 0.30 H new ATOM 0 HB2 MET A 67 7.324 -1.032 -16.915 1.00 0.36 H new ATOM 0 HB3 MET A 67 7.972 0.223 -15.877 1.00 0.36 H new ATOM 0 HG2 MET A 67 9.819 0.624 -17.297 1.00 0.50 H new ATOM 0 HG3 MET A 67 9.641 -0.911 -18.123 1.00 0.50 H new ATOM 0 HE1 MET A 67 6.667 2.549 -18.393 1.00 0.69 H new ATOM 0 HE2 MET A 67 7.826 2.185 -17.093 1.00 0.69 H new ATOM 0 HE3 MET A 67 8.366 3.056 -18.547 1.00 0.69 H new ATOM 1024 N ARG A 68 7.233 -2.730 -14.379 1.00 0.31 N ATOM 1025 CA ARG A 68 6.471 -3.047 -13.177 1.00 0.36 C ATOM 1026 C ARG A 68 7.319 -3.892 -12.230 1.00 0.37 C ATOM 1027 O ARG A 68 7.349 -3.658 -11.019 1.00 0.41 O ATOM 1028 CB ARG A 68 5.200 -3.806 -13.554 1.00 0.43 C ATOM 1029 CG ARG A 68 4.413 -4.316 -12.359 1.00 0.55 C ATOM 1030 CD ARG A 68 3.675 -5.606 -12.680 1.00 0.62 C ATOM 1031 NE ARG A 68 4.598 -6.706 -12.947 1.00 0.64 N ATOM 1032 CZ ARG A 68 4.242 -7.867 -13.493 1.00 0.76 C ATOM 1033 NH1 ARG A 68 2.977 -8.093 -13.830 1.00 0.90 N ATOM 1034 NH2 ARG A 68 5.151 -8.805 -13.698 1.00 0.86 N ATOM 0 H ARG A 68 6.910 -3.210 -15.219 1.00 0.31 H new ATOM 0 HA ARG A 68 6.197 -2.119 -12.675 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.560 -3.152 -14.147 1.00 0.43 H new ATOM 0 HB3 ARG A 68 5.467 -4.651 -14.189 1.00 0.43 H new ATOM 0 HG2 ARG A 68 5.091 -4.483 -11.522 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.698 -3.556 -12.043 1.00 0.55 H new ATOM 0 HD2 ARG A 68 3.026 -5.871 -11.846 1.00 0.62 H new ATOM 0 HD3 ARG A 68 3.033 -5.451 -13.547 1.00 0.62 H new ATOM 0 HE ARG A 68 5.579 -6.576 -12.699 1.00 0.64 H new ATOM 0 HH11 ARG A 68 2.271 -7.375 -13.671 1.00 0.90 H new ATOM 0 HH12 ARG A 68 2.712 -8.985 -14.248 1.00 0.90 H new ATOM 0 HH21 ARG A 68 6.123 -8.639 -13.438 1.00 0.86 H new ATOM 0 HH22 ARG A 68 4.880 -9.695 -14.116 1.00 0.86 H new ATOM 1048 N ASP A 69 8.008 -4.877 -12.804 1.00 0.37 N ATOM 1049 CA ASP A 69 8.882 -5.775 -12.046 1.00 0.42 C ATOM 1050 C ASP A 69 9.983 -4.986 -11.341 1.00 0.36 C ATOM 1051 O ASP A 69 10.468 -5.382 -10.282 1.00 0.42 O ATOM 1052 CB ASP A 69 9.525 -6.814 -12.977 1.00 0.58 C ATOM 1053 CG ASP A 69 8.838 -8.169 -12.945 1.00 0.78 C ATOM 1054 OD1 ASP A 69 7.593 -8.217 -12.940 1.00 0.94 O ATOM 1055 OD2 ASP A 69 9.550 -9.199 -12.952 1.00 1.41 O ATOM 0 H ASP A 69 7.977 -5.076 -13.804 1.00 0.37 H new ATOM 0 HA ASP A 69 8.271 -6.285 -11.301 1.00 0.42 H new ATOM 0 HB2 ASP A 69 9.510 -6.433 -13.998 1.00 0.58 H new ATOM 0 HB3 ASP A 69 10.571 -6.940 -12.699 1.00 0.58 H new ATOM 1060 N GLN A 70 10.343 -3.850 -11.936 1.00 0.32 N ATOM 1061 CA GLN A 70 11.394 -2.988 -11.414 1.00 0.31 C ATOM 1062 C GLN A 70 11.123 -2.560 -9.971 1.00 0.26 C ATOM 1063 O GLN A 70 11.856 -2.945 -9.060 1.00 0.33 O ATOM 1064 CB GLN A 70 11.546 -1.755 -12.306 1.00 0.34 C ATOM 1065 CG GLN A 70 12.907 -1.088 -12.204 1.00 0.43 C ATOM 1066 CD GLN A 70 13.011 0.149 -13.071 1.00 0.96 C ATOM 1067 OE1 GLN A 70 13.365 0.072 -14.249 1.00 1.51 O ATOM 1068 NE2 GLN A 70 12.707 1.297 -12.495 1.00 1.30 N ATOM 0 H GLN A 70 9.912 -3.504 -12.793 1.00 0.32 H new ATOM 0 HA GLN A 70 12.321 -3.561 -11.416 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.370 -2.044 -13.342 1.00 0.34 H new ATOM 0 HB3 GLN A 70 10.776 -1.030 -12.042 1.00 0.34 H new ATOM 0 HG2 GLN A 70 13.099 -0.818 -11.166 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.680 -1.799 -12.496 1.00 0.43 H new ATOM 0 HE21 GLN A 70 12.418 1.316 -11.517 1.00 1.30 H new ATOM 0 HE22 GLN A 70 12.761 2.165 -13.028 1.00 1.30 H new ATOM 1077 N TYR A 71 10.059 -1.788 -9.751 1.00 0.23 N ATOM 1078 CA TYR A 71 9.750 -1.309 -8.401 1.00 0.27 C ATOM 1079 C TYR A 71 9.298 -2.432 -7.478 1.00 0.24 C ATOM 1080 O TYR A 71 9.350 -2.296 -6.256 1.00 0.29 O ATOM 1081 CB TYR A 71 8.724 -0.166 -8.408 1.00 0.37 C ATOM 1082 CG TYR A 71 7.624 -0.268 -9.444 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.468 -0.997 -9.197 1.00 0.53 C ATOM 1084 CD2 TYR A 71 7.726 0.410 -10.652 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.445 -1.048 -10.124 1.00 0.77 C ATOM 1086 CE2 TYR A 71 6.712 0.358 -11.586 1.00 0.86 C ATOM 1087 CZ TYR A 71 5.572 -0.370 -11.316 1.00 0.90 C ATOM 1088 OH TYR A 71 4.555 -0.405 -12.240 1.00 1.17 O ATOM 0 H TYR A 71 9.407 -1.485 -10.474 1.00 0.23 H new ATOM 0 HA TYR A 71 10.685 -0.912 -8.005 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.263 -0.112 -7.422 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.256 0.773 -8.563 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.367 -1.533 -8.265 1.00 0.53 H new ATOM 0 HD2 TYR A 71 8.614 0.987 -10.864 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.551 -1.616 -9.915 1.00 0.77 H new ATOM 0 HE2 TYR A 71 6.810 0.885 -12.524 1.00 0.86 H new ATOM 0 HH TYR A 71 4.205 0.500 -12.376 1.00 1.17 H new ATOM 1098 N MET A 72 8.879 -3.549 -8.049 1.00 0.24 N ATOM 1099 CA MET A 72 8.448 -4.678 -7.238 1.00 0.28 C ATOM 1100 C MET A 72 9.655 -5.324 -6.562 1.00 0.31 C ATOM 1101 O MET A 72 9.545 -5.920 -5.489 1.00 0.44 O ATOM 1102 CB MET A 72 7.696 -5.708 -8.084 1.00 0.36 C ATOM 1103 CG MET A 72 6.199 -5.449 -8.176 1.00 0.39 C ATOM 1104 SD MET A 72 5.335 -6.711 -9.133 1.00 0.51 S ATOM 1105 CE MET A 72 3.643 -6.151 -8.980 1.00 0.70 C ATOM 0 H MET A 72 8.828 -3.699 -9.057 1.00 0.24 H new ATOM 0 HA MET A 72 7.765 -4.310 -6.472 1.00 0.28 H new ATOM 0 HB2 MET A 72 8.117 -5.716 -9.089 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.859 -6.700 -7.662 1.00 0.36 H new ATOM 0 HG2 MET A 72 5.778 -5.409 -7.171 1.00 0.39 H new ATOM 0 HG3 MET A 72 6.030 -4.473 -8.632 1.00 0.39 H new ATOM 0 HE1 MET A 72 3.078 -6.456 -9.861 1.00 0.70 H new ATOM 0 HE2 MET A 72 3.193 -6.591 -8.090 1.00 0.70 H new ATOM 0 HE3 MET A 72 3.626 -5.064 -8.896 1.00 0.70 H new ATOM 1115 N ARG A 73 10.817 -5.184 -7.182 1.00 0.25 N ATOM 1116 CA ARG A 73 12.040 -5.750 -6.636 1.00 0.30 C ATOM 1117 C ARG A 73 12.737 -4.754 -5.713 1.00 0.27 C ATOM 1118 O ARG A 73 13.420 -5.149 -4.769 1.00 0.34 O ATOM 1119 CB ARG A 73 12.987 -6.162 -7.761 1.00 0.37 C ATOM 1120 CG ARG A 73 12.417 -7.230 -8.678 1.00 0.45 C ATOM 1121 CD ARG A 73 13.329 -7.505 -9.862 1.00 0.50 C ATOM 1122 NE ARG A 73 14.001 -6.296 -10.342 1.00 0.80 N ATOM 1123 CZ ARG A 73 14.042 -5.911 -11.616 1.00 0.81 C ATOM 1124 NH1 ARG A 73 13.442 -6.628 -12.557 1.00 1.19 N ATOM 1125 NH2 ARG A 73 14.703 -4.810 -11.951 1.00 1.29 N ATOM 0 H ARG A 73 10.938 -4.684 -8.063 1.00 0.25 H new ATOM 0 HA ARG A 73 11.771 -6.633 -6.056 1.00 0.30 H new ATOM 0 HB2 ARG A 73 13.237 -5.282 -8.354 1.00 0.37 H new ATOM 0 HB3 ARG A 73 13.917 -6.528 -7.326 1.00 0.37 H new ATOM 0 HG2 ARG A 73 12.267 -8.150 -8.114 1.00 0.45 H new ATOM 0 HG3 ARG A 73 11.438 -6.914 -9.039 1.00 0.45 H new ATOM 0 HD2 ARG A 73 14.077 -8.244 -9.577 1.00 0.50 H new ATOM 0 HD3 ARG A 73 12.745 -7.939 -10.674 1.00 0.50 H new ATOM 0 HE ARG A 73 14.470 -5.708 -9.653 1.00 0.80 H new ATOM 0 HH11 ARG A 73 12.944 -7.482 -12.307 1.00 1.19 H new ATOM 0 HH12 ARG A 73 13.479 -6.325 -13.530 1.00 1.19 H new ATOM 0 HH21 ARG A 73 15.177 -4.262 -11.234 1.00 1.29 H new ATOM 0 HH22 ARG A 73 14.737 -4.512 -12.926 1.00 1.29 H new ATOM 1139 N THR A 74 12.542 -3.466 -5.980 1.00 0.23 N ATOM 1140 CA THR A 74 13.168 -2.411 -5.182 1.00 0.23 C ATOM 1141 C THR A 74 12.332 -2.046 -3.954 1.00 0.20 C ATOM 1142 O THR A 74 12.867 -1.573 -2.951 1.00 0.24 O ATOM 1143 CB THR A 74 13.409 -1.145 -6.030 1.00 0.26 C ATOM 1144 OG1 THR A 74 12.567 -1.161 -7.193 1.00 0.64 O ATOM 1145 CG2 THR A 74 14.869 -1.044 -6.448 1.00 0.72 C ATOM 0 H THR A 74 11.956 -3.125 -6.742 1.00 0.23 H new ATOM 0 HA THR A 74 14.124 -2.807 -4.840 1.00 0.23 H new ATOM 0 HB THR A 74 13.163 -0.275 -5.422 1.00 0.26 H new ATOM 0 HG1 THR A 74 12.856 -1.878 -7.796 1.00 0.64 H new ATOM 0 HG21 THR A 74 15.015 -0.144 -7.045 1.00 0.72 H new ATOM 0 HG22 THR A 74 15.499 -0.997 -5.560 1.00 0.72 H new ATOM 0 HG23 THR A 74 15.140 -1.919 -7.039 1.00 0.72 H new ATOM 1153 N GLY A 75 11.023 -2.266 -4.036 1.00 0.17 N ATOM 1154 CA GLY A 75 10.145 -1.948 -2.925 1.00 0.16 C ATOM 1155 C GLY A 75 10.399 -2.840 -1.730 1.00 0.14 C ATOM 1156 O GLY A 75 10.383 -4.068 -1.850 1.00 0.19 O ATOM 0 H GLY A 75 10.555 -2.659 -4.853 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.287 -0.906 -2.637 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.107 -2.052 -3.241 1.00 0.16 H new ATOM 1160 N GLU A 76 10.645 -2.227 -0.584 1.00 0.16 N ATOM 1161 CA GLU A 76 10.908 -2.972 0.636 1.00 0.20 C ATOM 1162 C GLU A 76 9.599 -3.385 1.293 1.00 0.23 C ATOM 1163 O GLU A 76 9.463 -4.510 1.774 1.00 0.34 O ATOM 1164 CB GLU A 76 11.753 -2.132 1.591 1.00 0.26 C ATOM 1165 CG GLU A 76 13.134 -1.830 1.047 1.00 0.30 C ATOM 1166 CD GLU A 76 13.757 -0.597 1.660 1.00 0.34 C ATOM 1167 OE1 GLU A 76 13.383 0.524 1.251 1.00 0.43 O ATOM 1168 OE2 GLU A 76 14.638 -0.740 2.532 1.00 0.54 O ATOM 0 H GLU A 76 10.668 -1.213 -0.473 1.00 0.16 H new ATOM 0 HA GLU A 76 11.465 -3.875 0.387 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.236 -1.195 1.796 1.00 0.26 H new ATOM 0 HB3 GLU A 76 11.849 -2.658 2.541 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.784 -2.686 1.228 1.00 0.30 H new ATOM 0 HG3 GLU A 76 13.072 -1.699 -0.033 1.00 0.30 H new ATOM 1175 N GLY A 77 8.641 -2.469 1.298 1.00 0.21 N ATOM 1176 CA GLY A 77 7.345 -2.745 1.880 1.00 0.23 C ATOM 1177 C GLY A 77 6.222 -2.386 0.931 1.00 0.17 C ATOM 1178 O GLY A 77 6.231 -1.304 0.338 1.00 0.26 O ATOM 0 H GLY A 77 8.741 -1.533 0.906 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.279 -3.802 2.140 1.00 0.23 H new ATOM 0 HA3 GLY A 77 7.234 -2.182 2.806 1.00 0.23 H new ATOM 1182 N PHE A 78 5.260 -3.281 0.780 1.00 0.11 N ATOM 1183 CA PHE A 78 4.143 -3.039 -0.119 1.00 0.17 C ATOM 1184 C PHE A 78 2.841 -2.927 0.652 1.00 0.17 C ATOM 1185 O PHE A 78 2.454 -3.841 1.382 1.00 0.20 O ATOM 1186 CB PHE A 78 4.036 -4.154 -1.162 1.00 0.24 C ATOM 1187 CG PHE A 78 5.222 -4.238 -2.075 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.339 -4.970 -1.711 1.00 0.29 C ATOM 1189 CD2 PHE A 78 5.221 -3.581 -3.293 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.434 -5.046 -2.544 1.00 0.35 C ATOM 1191 CE2 PHE A 78 6.315 -3.655 -4.134 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.423 -4.389 -3.756 1.00 0.40 C ATOM 0 H PHE A 78 5.229 -4.178 1.265 1.00 0.11 H new ATOM 0 HA PHE A 78 4.327 -2.094 -0.631 1.00 0.17 H new ATOM 0 HB2 PHE A 78 3.914 -5.108 -0.650 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.138 -3.996 -1.760 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.352 -5.488 -0.763 1.00 0.29 H new ATOM 0 HD2 PHE A 78 4.357 -3.005 -3.589 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.300 -5.620 -2.248 1.00 0.35 H new ATOM 0 HE2 PHE A 78 6.304 -3.141 -5.084 1.00 0.48 H new ATOM 0 HZ PHE A 78 8.280 -4.448 -4.410 1.00 0.40 H new ATOM 1202 N LEU A 79 2.174 -1.800 0.491 1.00 0.19 N ATOM 1203 CA LEU A 79 0.903 -1.557 1.153 1.00 0.20 C ATOM 1204 C LEU A 79 -0.222 -2.088 0.280 1.00 0.21 C ATOM 1205 O LEU A 79 -0.475 -1.560 -0.801 1.00 0.24 O ATOM 1206 CB LEU A 79 0.714 -0.058 1.408 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.305 0.295 2.488 1.00 0.26 C ATOM 1208 CD1 LEU A 79 0.263 0.005 3.869 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.718 1.755 2.367 1.00 0.27 C ATOM 0 H LEU A 79 2.494 -1.031 -0.098 1.00 0.19 H new ATOM 0 HA LEU A 79 0.891 -2.071 2.114 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.677 0.371 1.686 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.410 0.417 0.475 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.192 -0.324 2.349 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -0.476 0.262 4.628 1.00 0.37 H new ATOM 0 HD12 LEU A 79 0.509 -1.054 3.946 1.00 0.37 H new ATOM 0 HD13 LEU A 79 1.164 0.599 4.024 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.445 1.993 3.143 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.159 2.392 2.483 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -1.164 1.927 1.387 1.00 0.27 H new ATOM 1221 N CYS A 80 -0.883 -3.136 0.739 1.00 0.21 N ATOM 1222 CA CYS A 80 -1.964 -3.744 -0.022 1.00 0.25 C ATOM 1223 C CYS A 80 -3.295 -3.107 0.345 1.00 0.24 C ATOM 1224 O CYS A 80 -3.880 -3.420 1.381 1.00 0.28 O ATOM 1225 CB CYS A 80 -1.994 -5.248 0.241 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.353 -6.005 0.273 1.00 0.61 S ATOM 0 H CYS A 80 -0.691 -3.585 1.635 1.00 0.21 H new ATOM 0 HA CYS A 80 -1.791 -3.576 -1.085 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.490 -5.433 1.194 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.594 -5.732 -0.529 1.00 0.31 H new ATOM 0 HG CYS A 80 -0.467 -7.279 0.503 1.00 0.61 H new ATOM 1232 N VAL A 81 -3.768 -2.208 -0.504 1.00 0.29 N ATOM 1233 CA VAL A 81 -5.019 -1.510 -0.257 1.00 0.33 C ATOM 1234 C VAL A 81 -6.154 -2.076 -1.107 1.00 0.30 C ATOM 1235 O VAL A 81 -6.006 -2.270 -2.314 1.00 0.36 O ATOM 1236 CB VAL A 81 -4.888 -0.002 -0.556 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -6.104 0.758 -0.049 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.612 0.558 0.050 1.00 0.42 C ATOM 0 H VAL A 81 -3.303 -1.944 -1.372 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.251 -1.655 0.798 1.00 0.33 H new ATOM 0 HB VAL A 81 -4.836 0.125 -1.637 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -5.989 1.819 -0.271 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -7.000 0.380 -0.540 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -6.196 0.621 1.028 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.540 1.623 -0.173 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.629 0.414 1.130 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -2.751 0.040 -0.372 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.281 -2.339 -0.460 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.460 -2.849 -1.136 1.00 0.26 C ATOM 1250 C PHE A 82 -9.677 -2.071 -0.662 1.00 0.25 C ATOM 1251 O PHE A 82 -9.581 -1.283 0.281 1.00 0.25 O ATOM 1252 CB PHE A 82 -8.643 -4.353 -0.880 1.00 0.28 C ATOM 1253 CG PHE A 82 -9.069 -4.702 0.523 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -8.157 -4.686 1.566 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.382 -5.056 0.795 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -8.548 -5.014 2.849 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -10.777 -5.385 2.076 1.00 0.30 C ATOM 1258 CZ PHE A 82 -9.857 -5.364 3.105 1.00 0.30 C ATOM 0 H PHE A 82 -7.401 -2.205 0.544 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.338 -2.717 -2.211 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.385 -4.740 -1.578 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -7.704 -4.862 -1.098 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -7.130 -4.414 1.373 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -11.106 -5.075 -0.007 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -7.827 -4.996 3.653 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -11.803 -5.658 2.273 1.00 0.30 H new ATOM 0 HZ PHE A 82 -10.162 -5.621 4.109 1.00 0.30 H new ATOM 1268 N ALA A 83 -10.805 -2.284 -1.310 1.00 0.28 N ATOM 1269 CA ALA A 83 -12.027 -1.592 -0.944 1.00 0.27 C ATOM 1270 C ALA A 83 -12.962 -2.515 -0.174 1.00 0.28 C ATOM 1271 O ALA A 83 -13.297 -3.603 -0.638 1.00 0.31 O ATOM 1272 CB ALA A 83 -12.716 -1.041 -2.184 1.00 0.32 C ATOM 0 H ALA A 83 -10.902 -2.931 -2.093 1.00 0.28 H new ATOM 0 HA ALA A 83 -11.767 -0.757 -0.294 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.631 -0.525 -1.893 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -12.050 -0.342 -2.690 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -12.961 -1.861 -2.859 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.396 -2.070 1.000 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.292 -2.866 1.838 1.00 0.31 C ATOM 1280 C ILE A 84 -15.674 -2.991 1.200 1.00 0.31 C ATOM 1281 O ILE A 84 -16.469 -3.855 1.568 1.00 0.33 O ATOM 1282 CB ILE A 84 -14.449 -2.264 3.248 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -15.059 -0.865 3.165 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.105 -2.213 3.954 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -15.899 -0.500 4.368 1.00 0.78 C ATOM 0 H ILE A 84 -13.144 -1.164 1.395 1.00 0.28 H new ATOM 0 HA ILE A 84 -13.836 -3.852 1.926 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.120 -2.901 3.824 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -14.258 -0.134 3.056 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -15.675 -0.799 2.268 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -13.232 -1.785 4.949 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -12.702 -3.222 4.042 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -12.415 -1.595 3.379 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -16.300 0.506 4.240 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -16.721 -1.209 4.466 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -15.282 -0.534 5.266 1.00 0.78 H new ATOM 1297 N ASN A 85 -15.953 -2.132 0.237 1.00 0.33 N ATOM 1298 CA ASN A 85 -17.233 -2.140 -0.450 1.00 0.38 C ATOM 1299 C ASN A 85 -17.089 -2.694 -1.865 1.00 0.36 C ATOM 1300 O ASN A 85 -17.897 -2.396 -2.748 1.00 0.48 O ATOM 1301 CB ASN A 85 -17.824 -0.724 -0.486 1.00 0.51 C ATOM 1302 CG ASN A 85 -16.962 0.265 -1.260 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -15.746 0.093 -1.386 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -17.578 1.316 -1.772 1.00 0.82 N ATOM 0 H ASN A 85 -15.306 -1.415 -0.090 1.00 0.33 H new ATOM 0 HA ASN A 85 -17.913 -2.791 0.100 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -18.816 -0.762 -0.937 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -17.951 -0.364 0.535 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -17.047 2.016 -2.290 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -18.584 1.427 -1.649 1.00 0.82 H new ATOM 1311 N ASN A 86 -16.058 -3.497 -2.073 1.00 0.34 N ATOM 1312 CA ASN A 86 -15.804 -4.098 -3.377 1.00 0.39 C ATOM 1313 C ASN A 86 -14.973 -5.366 -3.217 1.00 0.33 C ATOM 1314 O ASN A 86 -13.760 -5.304 -3.018 1.00 0.33 O ATOM 1315 CB ASN A 86 -15.091 -3.101 -4.291 1.00 0.53 C ATOM 1316 CG ASN A 86 -14.737 -3.680 -5.648 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -13.633 -4.188 -5.847 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -15.669 -3.610 -6.583 1.00 0.98 N ATOM 0 H ASN A 86 -15.380 -3.750 -1.354 1.00 0.34 H new ATOM 0 HA ASN A 86 -16.757 -4.363 -3.834 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -15.727 -2.227 -4.431 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -14.180 -2.757 -3.801 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -15.487 -3.986 -7.514 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -16.570 -3.180 -6.374 1.00 0.98 H new ATOM 1325 N THR A 87 -15.637 -6.511 -3.306 1.00 0.33 N ATOM 1326 CA THR A 87 -14.983 -7.805 -3.155 1.00 0.32 C ATOM 1327 C THR A 87 -13.999 -8.079 -4.288 1.00 0.30 C ATOM 1328 O THR A 87 -13.068 -8.872 -4.132 1.00 0.30 O ATOM 1329 CB THR A 87 -16.024 -8.932 -3.108 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.331 -8.371 -2.933 1.00 0.65 O ATOM 1331 CG2 THR A 87 -15.723 -9.907 -1.980 1.00 0.57 C ATOM 0 H THR A 87 -16.640 -6.570 -3.484 1.00 0.33 H new ATOM 0 HA THR A 87 -14.429 -7.775 -2.217 1.00 0.32 H new ATOM 0 HB THR A 87 -15.983 -9.480 -4.049 1.00 0.38 H new ATOM 0 HG1 THR A 87 -17.995 -9.091 -2.905 1.00 0.65 H new ATOM 0 HG21 THR A 87 -16.476 -10.695 -1.970 1.00 0.57 H new ATOM 0 HG22 THR A 87 -14.738 -10.348 -2.133 1.00 0.57 H new ATOM 0 HG23 THR A 87 -15.739 -9.377 -1.027 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.210 -7.420 -5.425 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.339 -7.581 -6.588 1.00 0.35 C ATOM 1341 C LYS A 88 -11.885 -7.275 -6.226 1.00 0.30 C ATOM 1342 O LYS A 88 -10.987 -8.072 -6.500 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.804 -6.665 -7.725 1.00 0.42 C ATOM 1344 CG LYS A 88 -12.953 -6.754 -8.979 1.00 0.49 C ATOM 1345 CD LYS A 88 -13.258 -8.014 -9.764 1.00 0.71 C ATOM 1346 CE LYS A 88 -12.433 -8.084 -11.032 1.00 0.89 C ATOM 1347 NZ LYS A 88 -12.832 -9.226 -11.895 1.00 0.82 N ATOM 0 H LYS A 88 -14.980 -6.766 -5.566 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.398 -8.618 -6.919 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -14.834 -6.914 -7.979 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.803 -5.634 -7.370 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.133 -5.880 -9.606 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -11.898 -6.739 -8.707 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -13.054 -8.889 -9.146 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -14.318 -8.041 -10.015 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -12.544 -7.153 -11.588 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -11.378 -8.177 -10.773 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -12.242 -9.236 -12.752 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -12.702 -10.117 -11.374 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -13.832 -9.125 -12.164 1.00 0.82 H new ATOM 1361 N SER A 89 -11.665 -6.125 -5.601 1.00 0.27 N ATOM 1362 CA SER A 89 -10.322 -5.718 -5.196 1.00 0.27 C ATOM 1363 C SER A 89 -9.740 -6.685 -4.161 1.00 0.25 C ATOM 1364 O SER A 89 -8.568 -7.055 -4.231 1.00 0.32 O ATOM 1365 CB SER A 89 -10.348 -4.287 -4.638 1.00 0.33 C ATOM 1366 OG SER A 89 -11.236 -4.166 -3.538 1.00 0.64 O ATOM 0 H SER A 89 -12.398 -5.457 -5.363 1.00 0.27 H new ATOM 0 HA SER A 89 -9.679 -5.743 -6.076 1.00 0.27 H new ATOM 0 HB2 SER A 89 -9.343 -4.000 -4.327 1.00 0.33 H new ATOM 0 HB3 SER A 89 -10.648 -3.595 -5.425 1.00 0.33 H new ATOM 0 HG SER A 89 -12.020 -4.735 -3.686 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.572 -7.105 -3.217 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.154 -8.026 -2.166 1.00 0.25 C ATOM 1374 C PHE A 90 -9.696 -9.364 -2.754 1.00 0.27 C ATOM 1375 O PHE A 90 -8.695 -9.940 -2.317 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.308 -8.245 -1.182 1.00 0.29 C ATOM 1377 CG PHE A 90 -11.047 -9.315 -0.162 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -10.117 -9.118 0.844 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.728 -10.519 -0.211 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.871 -10.099 1.782 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.487 -11.502 0.727 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.558 -11.293 1.724 1.00 0.39 C ATOM 0 H PHE A 90 -11.549 -6.820 -3.157 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.308 -7.586 -1.638 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.514 -7.308 -0.665 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.206 -8.504 -1.743 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.577 -8.184 0.895 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.455 -10.691 -0.991 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -9.141 -9.932 2.561 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -12.027 -12.436 0.680 1.00 0.42 H new ATOM 0 HZ PHE A 90 -10.369 -12.063 2.458 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.421 -9.843 -3.756 1.00 0.32 N ATOM 1393 CA GLU A 91 -10.099 -11.109 -4.398 1.00 0.40 C ATOM 1394 C GLU A 91 -8.885 -10.982 -5.311 1.00 0.39 C ATOM 1395 O GLU A 91 -8.330 -11.986 -5.759 1.00 0.49 O ATOM 1396 CB GLU A 91 -11.299 -11.619 -5.190 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.399 -12.192 -4.311 1.00 0.59 C ATOM 1398 CD GLU A 91 -12.002 -13.495 -3.649 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -11.059 -13.497 -2.827 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -12.631 -14.529 -3.948 1.00 1.09 O ATOM 0 H GLU A 91 -11.239 -9.371 -4.142 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.854 -11.826 -3.614 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -11.707 -10.802 -5.785 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.965 -12.386 -5.889 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.660 -11.464 -3.543 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -13.293 -12.354 -4.914 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.459 -9.757 -5.581 1.00 0.35 N ATOM 1408 CA ASP A 92 -7.305 -9.529 -6.441 1.00 0.37 C ATOM 1409 C ASP A 92 -6.027 -9.481 -5.609 1.00 0.31 C ATOM 1410 O ASP A 92 -4.926 -9.685 -6.122 1.00 0.31 O ATOM 1411 CB ASP A 92 -7.468 -8.232 -7.230 1.00 0.43 C ATOM 1412 CG ASP A 92 -6.882 -8.324 -8.623 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -7.520 -8.943 -9.504 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -5.787 -7.776 -8.852 1.00 0.99 O ATOM 0 H ASP A 92 -8.893 -8.908 -5.219 1.00 0.35 H new ATOM 0 HA ASP A 92 -7.235 -10.356 -7.147 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.527 -7.984 -7.300 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -6.985 -7.418 -6.689 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.196 -9.231 -4.310 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.072 -9.165 -3.370 1.00 0.25 C ATOM 1421 C ILE A 93 -4.296 -10.485 -3.357 1.00 0.24 C ATOM 1422 O ILE A 93 -3.083 -10.506 -3.129 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.550 -8.831 -1.933 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.291 -7.489 -1.912 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -4.377 -8.797 -0.955 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.452 -6.311 -2.374 1.00 0.42 C ATOM 0 H ILE A 93 -7.107 -9.070 -3.881 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.415 -8.365 -3.710 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.234 -9.619 -1.618 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.174 -7.564 -2.547 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -6.642 -7.296 -0.898 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -4.743 -8.560 0.044 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -3.887 -9.770 -0.941 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -3.663 -8.036 -1.269 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -6.049 -5.400 -2.330 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.582 -6.207 -1.725 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -5.122 -6.479 -3.399 1.00 0.42 H new ATOM 1438 N HIS A 94 -5.003 -11.581 -3.624 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.393 -12.909 -3.659 1.00 0.30 C ATOM 1440 C HIS A 94 -3.290 -12.943 -4.708 1.00 0.30 C ATOM 1441 O HIS A 94 -2.154 -13.325 -4.425 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.428 -13.994 -3.984 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.585 -14.065 -3.031 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -6.506 -14.652 -1.788 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.862 -13.629 -3.155 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -7.688 -14.585 -1.193 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -8.525 -13.970 -2.004 1.00 0.79 N ATOM 0 H HIS A 94 -6.004 -11.575 -3.820 1.00 0.26 H new ATOM 0 HA HIS A 94 -3.979 -13.111 -2.671 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -5.813 -13.820 -4.989 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -4.927 -14.962 -3.998 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -8.281 -13.109 -4.004 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -7.925 -14.969 -0.212 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -9.507 -13.779 -1.807 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.639 -12.520 -5.918 1.00 0.27 N ATOM 1457 CA HIS A 95 -2.694 -12.496 -7.029 1.00 0.30 C ATOM 1458 C HIS A 95 -1.566 -11.503 -6.769 1.00 0.26 C ATOM 1459 O HIS A 95 -0.438 -11.724 -7.194 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.417 -12.154 -8.336 1.00 0.37 C ATOM 1461 CG HIS A 95 -2.526 -12.124 -9.545 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -1.505 -13.024 -9.755 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.506 -11.285 -10.609 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -0.892 -12.738 -10.888 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.483 -11.694 -11.427 1.00 0.72 N ATOM 0 H HIS A 95 -4.574 -12.188 -6.155 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.254 -13.489 -7.121 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.209 -12.884 -8.501 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -3.897 -11.181 -8.228 1.00 0.37 H new ATOM 0 HD1 HIS A 95 -1.260 -13.793 -9.131 1.00 0.72 H new ATOM 0 HD2 HIS A 95 -3.170 -10.451 -10.781 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -0.049 -13.271 -11.302 1.00 0.79 H new ATOM 1474 N TYR A 96 -1.868 -10.419 -6.063 1.00 0.29 N ATOM 1475 CA TYR A 96 -0.863 -9.406 -5.762 1.00 0.29 C ATOM 1476 C TYR A 96 0.214 -9.967 -4.842 1.00 0.24 C ATOM 1477 O TYR A 96 1.405 -9.839 -5.125 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.502 -8.164 -5.137 1.00 0.38 C ATOM 1479 CG TYR A 96 -2.015 -7.183 -6.159 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -1.163 -6.639 -7.113 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -3.352 -6.811 -6.185 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -1.633 -5.753 -8.061 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -3.824 -5.925 -7.129 1.00 0.81 C ATOM 1484 CZ TYR A 96 -2.962 -5.402 -8.066 1.00 0.75 C ATOM 1485 OH TYR A 96 -3.432 -4.525 -9.007 1.00 0.91 O ATOM 0 H TYR A 96 -2.796 -10.220 -5.690 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.396 -9.113 -6.702 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.326 -8.472 -4.493 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.769 -7.667 -4.501 1.00 0.38 H new ATOM 0 HD1 TYR A 96 -0.118 -6.914 -7.112 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -4.033 -7.222 -5.454 1.00 0.76 H new ATOM 0 HE1 TYR A 96 -0.960 -5.337 -8.796 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -4.866 -5.642 -7.134 1.00 0.81 H new ATOM 0 HH TYR A 96 -3.774 -3.721 -8.563 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.210 -10.594 -3.747 1.00 0.25 N ATOM 1496 CA ARG A 97 0.725 -11.190 -2.795 1.00 0.25 C ATOM 1497 C ARG A 97 1.560 -12.254 -3.499 1.00 0.22 C ATOM 1498 O ARG A 97 2.780 -12.288 -3.363 1.00 0.29 O ATOM 1499 CB ARG A 97 -0.037 -11.801 -1.609 1.00 0.32 C ATOM 1500 CG ARG A 97 0.833 -12.584 -0.630 1.00 0.36 C ATOM 1501 CD ARG A 97 1.848 -11.698 0.081 1.00 0.39 C ATOM 1502 NE ARG A 97 2.549 -12.425 1.148 1.00 0.45 N ATOM 1503 CZ ARG A 97 3.332 -11.853 2.069 1.00 0.48 C ATOM 1504 NH1 ARG A 97 3.519 -10.538 2.071 1.00 0.48 N ATOM 1505 NH2 ARG A 97 3.926 -12.607 2.991 1.00 0.60 N ATOM 0 H ARG A 97 -1.193 -10.703 -3.497 1.00 0.25 H new ATOM 0 HA ARG A 97 1.388 -10.415 -2.410 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -0.541 -11.001 -1.067 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -0.813 -12.463 -1.995 1.00 0.32 H new ATOM 0 HG2 ARG A 97 0.196 -13.069 0.110 1.00 0.36 H new ATOM 0 HG3 ARG A 97 1.358 -13.375 -1.166 1.00 0.36 H new ATOM 0 HD2 ARG A 97 2.573 -11.323 -0.641 1.00 0.39 H new ATOM 0 HD3 ARG A 97 1.341 -10.830 0.504 1.00 0.39 H new ATOM 0 HE ARG A 97 2.430 -13.437 1.189 1.00 0.45 H new ATOM 0 HH11 ARG A 97 3.064 -9.957 1.367 1.00 0.48 H new ATOM 0 HH12 ARG A 97 4.118 -10.109 2.777 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.783 -13.617 2.993 1.00 0.60 H new ATOM 0 HH22 ARG A 97 4.524 -12.175 3.695 1.00 0.60 H new ATOM 1519 N GLU A 98 0.886 -13.101 -4.269 1.00 0.22 N ATOM 1520 CA GLU A 98 1.540 -14.166 -5.018 1.00 0.24 C ATOM 1521 C GLU A 98 2.552 -13.597 -6.013 1.00 0.23 C ATOM 1522 O GLU A 98 3.698 -14.044 -6.072 1.00 0.26 O ATOM 1523 CB GLU A 98 0.474 -14.998 -5.746 1.00 0.30 C ATOM 1524 CG GLU A 98 0.993 -15.801 -6.931 1.00 0.46 C ATOM 1525 CD GLU A 98 0.575 -15.223 -8.270 1.00 0.94 C ATOM 1526 OE1 GLU A 98 1.461 -14.819 -9.055 1.00 1.21 O ATOM 1527 OE2 GLU A 98 -0.641 -15.184 -8.556 1.00 1.35 O ATOM 0 H GLU A 98 -0.126 -13.068 -4.391 1.00 0.22 H new ATOM 0 HA GLU A 98 2.087 -14.804 -4.324 1.00 0.24 H new ATOM 0 HB2 GLU A 98 0.018 -15.684 -5.032 1.00 0.30 H new ATOM 0 HB3 GLU A 98 -0.314 -14.330 -6.094 1.00 0.30 H new ATOM 0 HG2 GLU A 98 2.081 -15.844 -6.884 1.00 0.46 H new ATOM 0 HG3 GLU A 98 0.630 -16.826 -6.855 1.00 0.46 H new ATOM 1534 N GLN A 99 2.121 -12.596 -6.766 1.00 0.23 N ATOM 1535 CA GLN A 99 2.960 -11.962 -7.773 1.00 0.25 C ATOM 1536 C GLN A 99 4.227 -11.377 -7.165 1.00 0.24 C ATOM 1537 O GLN A 99 5.329 -11.766 -7.537 1.00 0.26 O ATOM 1538 CB GLN A 99 2.170 -10.862 -8.488 1.00 0.30 C ATOM 1539 CG GLN A 99 2.959 -10.121 -9.556 1.00 0.33 C ATOM 1540 CD GLN A 99 2.066 -9.521 -10.622 1.00 0.63 C ATOM 1541 OE1 GLN A 99 1.651 -8.365 -10.529 1.00 1.15 O ATOM 1542 NE2 GLN A 99 1.756 -10.306 -11.640 1.00 1.08 N ATOM 0 H GLN A 99 1.183 -12.201 -6.697 1.00 0.23 H new ATOM 0 HA GLN A 99 3.258 -12.728 -8.489 1.00 0.25 H new ATOM 0 HB2 GLN A 99 1.286 -11.305 -8.947 1.00 0.30 H new ATOM 0 HB3 GLN A 99 1.818 -10.143 -7.748 1.00 0.30 H new ATOM 0 HG2 GLN A 99 3.544 -9.329 -9.088 1.00 0.33 H new ATOM 0 HG3 GLN A 99 3.667 -10.807 -10.022 1.00 0.33 H new ATOM 0 HE21 GLN A 99 2.121 -11.258 -11.680 1.00 1.08 H new ATOM 0 HE22 GLN A 99 1.152 -9.960 -12.386 1.00 1.08 H new ATOM 1551 N ILE A 100 4.062 -10.461 -6.218 1.00 0.24 N ATOM 1552 CA ILE A 100 5.196 -9.806 -5.577 1.00 0.26 C ATOM 1553 C ILE A 100 6.161 -10.822 -4.961 1.00 0.24 C ATOM 1554 O ILE A 100 7.378 -10.647 -5.025 1.00 0.24 O ATOM 1555 CB ILE A 100 4.730 -8.799 -4.502 1.00 0.32 C ATOM 1556 CG1 ILE A 100 3.810 -7.747 -5.131 1.00 0.39 C ATOM 1557 CG2 ILE A 100 5.926 -8.128 -3.834 1.00 0.34 C ATOM 1558 CD1 ILE A 100 2.978 -6.991 -4.120 1.00 0.51 C ATOM 0 H ILE A 100 3.151 -10.154 -5.876 1.00 0.24 H new ATOM 0 HA ILE A 100 5.727 -9.260 -6.357 1.00 0.26 H new ATOM 0 HB ILE A 100 4.175 -9.342 -3.737 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.415 -7.037 -5.695 1.00 0.39 H new ATOM 0 HG13 ILE A 100 3.146 -8.236 -5.843 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.574 -7.423 -3.081 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.550 -8.885 -3.359 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.510 -7.595 -4.584 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.351 -6.263 -4.636 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.346 -7.691 -3.572 1.00 0.51 H new ATOM 0 HD13 ILE A 100 3.636 -6.473 -3.422 1.00 0.51 H new ATOM 1570 N LYS A 101 5.619 -11.893 -4.392 1.00 0.25 N ATOM 1571 CA LYS A 101 6.447 -12.926 -3.780 1.00 0.27 C ATOM 1572 C LYS A 101 7.290 -13.641 -4.830 1.00 0.23 C ATOM 1573 O LYS A 101 8.442 -13.978 -4.580 1.00 0.27 O ATOM 1574 CB LYS A 101 5.585 -13.939 -3.030 1.00 0.34 C ATOM 1575 CG LYS A 101 5.056 -13.428 -1.701 1.00 0.78 C ATOM 1576 CD LYS A 101 4.312 -14.519 -0.947 1.00 0.76 C ATOM 1577 CE LYS A 101 5.267 -15.549 -0.367 1.00 0.97 C ATOM 1578 NZ LYS A 101 4.564 -16.559 0.463 1.00 1.05 N ATOM 0 H LYS A 101 4.615 -12.068 -4.342 1.00 0.25 H new ATOM 0 HA LYS A 101 7.114 -12.438 -3.069 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.743 -14.223 -3.661 1.00 0.34 H new ATOM 0 HB3 LYS A 101 6.171 -14.841 -2.855 1.00 0.34 H new ATOM 0 HG2 LYS A 101 5.884 -13.063 -1.094 1.00 0.78 H new ATOM 0 HG3 LYS A 101 4.390 -12.583 -1.873 1.00 0.78 H new ATOM 0 HD2 LYS A 101 3.726 -14.072 -0.144 1.00 0.76 H new ATOM 0 HD3 LYS A 101 3.609 -15.012 -1.619 1.00 0.76 H new ATOM 0 HE2 LYS A 101 5.794 -16.051 -1.178 1.00 0.97 H new ATOM 0 HE3 LYS A 101 6.020 -15.044 0.238 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 5.144 -17.420 0.528 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 4.406 -16.175 1.417 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 3.649 -16.791 0.027 1.00 1.05 H new ATOM 1592 N ARG A 102 6.710 -13.854 -6.006 1.00 0.22 N ATOM 1593 CA ARG A 102 7.406 -14.531 -7.092 1.00 0.23 C ATOM 1594 C ARG A 102 8.384 -13.591 -7.786 1.00 0.21 C ATOM 1595 O ARG A 102 9.439 -14.017 -8.256 1.00 0.26 O ATOM 1596 CB ARG A 102 6.406 -15.098 -8.102 1.00 0.29 C ATOM 1597 CG ARG A 102 5.555 -16.219 -7.530 1.00 0.35 C ATOM 1598 CD ARG A 102 4.505 -16.697 -8.518 1.00 0.44 C ATOM 1599 NE ARG A 102 3.698 -17.781 -7.959 1.00 0.58 N ATOM 1600 CZ ARG A 102 2.766 -18.447 -8.642 1.00 0.75 C ATOM 1601 NH1 ARG A 102 2.517 -18.136 -9.909 1.00 0.89 N ATOM 1602 NH2 ARG A 102 2.084 -19.421 -8.062 1.00 0.91 N ATOM 0 H ARG A 102 5.758 -13.567 -6.231 1.00 0.22 H new ATOM 0 HA ARG A 102 7.974 -15.356 -6.663 1.00 0.23 H new ATOM 0 HB2 ARG A 102 5.755 -14.296 -8.449 1.00 0.29 H new ATOM 0 HB3 ARG A 102 6.948 -15.468 -8.972 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.197 -17.055 -7.250 1.00 0.35 H new ATOM 0 HG3 ARG A 102 5.065 -15.874 -6.619 1.00 0.35 H new ATOM 0 HD2 ARG A 102 3.857 -15.865 -8.794 1.00 0.44 H new ATOM 0 HD3 ARG A 102 4.992 -17.038 -9.432 1.00 0.44 H new ATOM 0 HE ARG A 102 3.858 -18.044 -6.987 1.00 0.58 H new ATOM 0 HH11 ARG A 102 3.039 -17.386 -10.362 1.00 0.89 H new ATOM 0 HH12 ARG A 102 1.804 -18.647 -10.429 1.00 0.89 H new ATOM 0 HH21 ARG A 102 2.270 -19.665 -7.089 1.00 0.91 H new ATOM 0 HH22 ARG A 102 1.372 -19.928 -8.588 1.00 0.91 H new ATOM 1616 N VAL A 103 8.025 -12.311 -7.850 1.00 0.21 N ATOM 1617 CA VAL A 103 8.881 -11.310 -8.477 1.00 0.23 C ATOM 1618 C VAL A 103 10.160 -11.123 -7.664 1.00 0.19 C ATOM 1619 O VAL A 103 11.261 -11.072 -8.214 1.00 0.21 O ATOM 1620 CB VAL A 103 8.165 -9.947 -8.631 1.00 0.27 C ATOM 1621 CG1 VAL A 103 9.116 -8.894 -9.190 1.00 0.35 C ATOM 1622 CG2 VAL A 103 6.945 -10.082 -9.528 1.00 0.35 C ATOM 0 H VAL A 103 7.150 -11.944 -7.476 1.00 0.21 H new ATOM 0 HA VAL A 103 9.126 -11.676 -9.474 1.00 0.23 H new ATOM 0 HB VAL A 103 7.838 -9.625 -7.642 1.00 0.27 H new ATOM 0 HG11 VAL A 103 8.590 -7.945 -9.289 1.00 0.35 H new ATOM 0 HG12 VAL A 103 9.961 -8.771 -8.513 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.477 -9.212 -10.168 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.455 -9.113 -9.624 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.254 -10.431 -10.513 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.250 -10.799 -9.091 1.00 0.35 H new ATOM 1632 N LYS A 104 10.008 -11.023 -6.351 1.00 0.17 N ATOM 1633 CA LYS A 104 11.150 -10.855 -5.464 1.00 0.16 C ATOM 1634 C LYS A 104 11.810 -12.202 -5.188 1.00 0.18 C ATOM 1635 O LYS A 104 13.005 -12.272 -4.896 1.00 0.28 O ATOM 1636 CB LYS A 104 10.715 -10.208 -4.146 1.00 0.18 C ATOM 1637 CG LYS A 104 9.971 -8.897 -4.324 1.00 0.26 C ATOM 1638 CD LYS A 104 9.599 -8.271 -2.988 1.00 0.32 C ATOM 1639 CE LYS A 104 10.778 -7.556 -2.347 1.00 0.51 C ATOM 1640 NZ LYS A 104 11.138 -6.321 -3.087 1.00 0.63 N ATOM 0 H LYS A 104 9.106 -11.055 -5.877 1.00 0.17 H new ATOM 0 HA LYS A 104 11.871 -10.201 -5.955 1.00 0.16 H new ATOM 0 HB2 LYS A 104 10.078 -10.906 -3.602 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.597 -10.034 -3.529 1.00 0.18 H new ATOM 0 HG2 LYS A 104 10.590 -8.202 -4.891 1.00 0.26 H new ATOM 0 HG3 LYS A 104 9.067 -9.069 -4.909 1.00 0.26 H new ATOM 0 HD2 LYS A 104 8.782 -7.564 -3.134 1.00 0.32 H new ATOM 0 HD3 LYS A 104 9.234 -9.046 -2.313 1.00 0.32 H new ATOM 0 HE2 LYS A 104 10.534 -7.304 -1.315 1.00 0.51 H new ATOM 0 HE3 LYS A 104 11.637 -8.226 -2.317 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 12.151 -6.341 -3.323 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 10.579 -6.266 -3.962 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 10.937 -5.490 -2.495 1.00 0.63 H new ATOM 1654 N ASP A 105 11.012 -13.257 -5.291 1.00 0.17 N ATOM 1655 CA ASP A 105 11.461 -14.629 -5.053 1.00 0.21 C ATOM 1656 C ASP A 105 11.873 -14.801 -3.596 1.00 0.23 C ATOM 1657 O ASP A 105 13.024 -15.118 -3.289 1.00 0.28 O ATOM 1658 CB ASP A 105 12.611 -15.017 -5.991 1.00 0.24 C ATOM 1659 CG ASP A 105 12.872 -16.512 -5.998 1.00 0.34 C ATOM 1660 OD1 ASP A 105 11.899 -17.291 -5.926 1.00 0.43 O ATOM 1661 OD2 ASP A 105 14.050 -16.921 -6.101 1.00 0.47 O ATOM 0 H ASP A 105 10.026 -13.187 -5.544 1.00 0.17 H new ATOM 0 HA ASP A 105 10.627 -15.298 -5.266 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.378 -14.687 -7.003 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.517 -14.494 -5.686 1.00 0.24 H new ATOM 1666 N SER A 106 10.917 -14.572 -2.705 1.00 0.28 N ATOM 1667 CA SER A 106 11.144 -14.677 -1.274 1.00 0.33 C ATOM 1668 C SER A 106 9.837 -15.006 -0.561 1.00 0.36 C ATOM 1669 O SER A 106 8.751 -14.664 -1.043 1.00 0.56 O ATOM 1670 CB SER A 106 11.729 -13.369 -0.736 1.00 0.36 C ATOM 1671 OG SER A 106 12.319 -13.559 0.537 1.00 1.14 O ATOM 0 H SER A 106 9.964 -14.309 -2.956 1.00 0.28 H new ATOM 0 HA SER A 106 11.857 -15.480 -1.087 1.00 0.33 H new ATOM 0 HB2 SER A 106 12.475 -12.987 -1.433 1.00 0.36 H new ATOM 0 HB3 SER A 106 10.943 -12.617 -0.667 1.00 0.36 H new ATOM 0 HG SER A 106 12.687 -12.709 0.857 1.00 1.14 H new ATOM 1677 N GLU A 107 9.947 -15.685 0.575 1.00 0.42 N ATOM 1678 CA GLU A 107 8.781 -16.063 1.352 1.00 0.54 C ATOM 1679 C GLU A 107 8.298 -14.903 2.216 1.00 0.42 C ATOM 1680 O GLU A 107 7.099 -14.638 2.301 1.00 0.54 O ATOM 1681 CB GLU A 107 9.100 -17.273 2.238 1.00 0.74 C ATOM 1682 CG GLU A 107 7.882 -17.857 2.936 1.00 1.11 C ATOM 1683 CD GLU A 107 7.067 -18.769 2.040 1.00 1.17 C ATOM 1684 OE1 GLU A 107 6.422 -18.270 1.096 1.00 1.74 O ATOM 1685 OE2 GLU A 107 7.064 -19.992 2.280 1.00 1.46 O ATOM 0 H GLU A 107 10.836 -15.984 0.976 1.00 0.42 H new ATOM 0 HA GLU A 107 7.986 -16.328 0.655 1.00 0.54 H new ATOM 0 HB2 GLU A 107 9.564 -18.047 1.627 1.00 0.74 H new ATOM 0 HB3 GLU A 107 9.832 -16.979 2.990 1.00 0.74 H new ATOM 0 HG2 GLU A 107 8.206 -18.415 3.815 1.00 1.11 H new ATOM 0 HG3 GLU A 107 7.248 -17.044 3.290 1.00 1.11 H new ATOM 1692 N ASP A 108 9.225 -14.202 2.845 1.00 0.35 N ATOM 1693 CA ASP A 108 8.855 -13.097 3.715 1.00 0.37 C ATOM 1694 C ASP A 108 8.955 -11.756 3.001 1.00 0.29 C ATOM 1695 O ASP A 108 10.032 -11.347 2.565 1.00 0.39 O ATOM 1696 CB ASP A 108 9.731 -13.080 4.960 1.00 0.54 C ATOM 1697 CG ASP A 108 9.253 -12.076 5.983 1.00 0.65 C ATOM 1698 OD1 ASP A 108 8.118 -12.228 6.483 1.00 0.77 O ATOM 1699 OD2 ASP A 108 10.014 -11.134 6.296 1.00 0.78 O ATOM 0 H ASP A 108 10.228 -14.374 2.772 1.00 0.35 H new ATOM 0 HA ASP A 108 7.815 -13.250 4.005 1.00 0.37 H new ATOM 0 HB2 ASP A 108 9.742 -14.074 5.407 1.00 0.54 H new ATOM 0 HB3 ASP A 108 10.757 -12.846 4.677 1.00 0.54 H new ATOM 1704 N VAL A 109 7.821 -11.084 2.882 1.00 0.25 N ATOM 1705 CA VAL A 109 7.758 -9.780 2.252 1.00 0.21 C ATOM 1706 C VAL A 109 6.885 -8.857 3.102 1.00 0.18 C ATOM 1707 O VAL A 109 5.678 -9.092 3.240 1.00 0.25 O ATOM 1708 CB VAL A 109 7.174 -9.841 0.820 1.00 0.27 C ATOM 1709 CG1 VAL A 109 7.202 -8.461 0.170 1.00 0.31 C ATOM 1710 CG2 VAL A 109 7.923 -10.854 -0.042 1.00 0.47 C ATOM 0 H VAL A 109 6.922 -11.428 3.219 1.00 0.25 H new ATOM 0 HA VAL A 109 8.778 -9.402 2.178 1.00 0.21 H new ATOM 0 HB VAL A 109 6.137 -10.169 0.897 1.00 0.27 H new ATOM 0 HG11 VAL A 109 6.787 -8.524 -0.836 1.00 0.31 H new ATOM 0 HG12 VAL A 109 6.608 -7.767 0.764 1.00 0.31 H new ATOM 0 HG13 VAL A 109 8.231 -8.105 0.117 1.00 0.31 H new ATOM 0 HG21 VAL A 109 7.489 -10.873 -1.042 1.00 0.47 H new ATOM 0 HG22 VAL A 109 8.973 -10.570 -0.108 1.00 0.47 H new ATOM 0 HG23 VAL A 109 7.843 -11.844 0.407 1.00 0.47 H new ATOM 1720 N PRO A 110 7.485 -7.818 3.701 1.00 0.15 N ATOM 1721 CA PRO A 110 6.764 -6.854 4.544 1.00 0.15 C ATOM 1722 C PRO A 110 5.590 -6.210 3.815 1.00 0.14 C ATOM 1723 O PRO A 110 5.776 -5.447 2.862 1.00 0.17 O ATOM 1724 CB PRO A 110 7.827 -5.806 4.874 1.00 0.18 C ATOM 1725 CG PRO A 110 9.130 -6.499 4.698 1.00 0.25 C ATOM 1726 CD PRO A 110 8.916 -7.496 3.596 1.00 0.23 C ATOM 0 HA PRO A 110 6.327 -7.329 5.422 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.748 -4.944 4.212 1.00 0.18 H new ATOM 0 HB3 PRO A 110 7.712 -5.437 5.893 1.00 0.18 H new ATOM 0 HG2 PRO A 110 9.917 -5.792 4.438 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.437 -6.994 5.619 1.00 0.25 H new ATOM 0 HD2 PRO A 110 9.163 -7.076 2.621 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.538 -8.381 3.729 1.00 0.23 H new ATOM 1734 N MET A 111 4.384 -6.532 4.260 1.00 0.13 N ATOM 1735 CA MET A 111 3.168 -6.000 3.661 1.00 0.14 C ATOM 1736 C MET A 111 2.139 -5.700 4.736 1.00 0.15 C ATOM 1737 O MET A 111 2.194 -6.256 5.831 1.00 0.17 O ATOM 1738 CB MET A 111 2.572 -6.996 2.664 1.00 0.17 C ATOM 1739 CG MET A 111 3.355 -7.131 1.371 1.00 0.24 C ATOM 1740 SD MET A 111 2.523 -8.193 0.175 1.00 0.34 S ATOM 1741 CE MET A 111 3.864 -8.572 -0.945 1.00 0.79 C ATOM 0 H MET A 111 4.221 -7.166 5.042 1.00 0.13 H new ATOM 0 HA MET A 111 3.429 -5.081 3.136 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.508 -7.974 3.140 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.553 -6.690 2.428 1.00 0.17 H new ATOM 0 HG2 MET A 111 3.504 -6.143 0.935 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.343 -7.536 1.588 1.00 0.24 H new ATOM 0 HE1 MET A 111 3.457 -8.889 -1.905 1.00 0.79 H new ATOM 0 HE2 MET A 111 4.481 -7.685 -1.088 1.00 0.79 H new ATOM 0 HE3 MET A 111 4.473 -9.373 -0.526 1.00 0.79 H new ATOM 1751 N VAL A 112 1.219 -4.811 4.423 1.00 0.16 N ATOM 1752 CA VAL A 112 0.158 -4.447 5.349 1.00 0.16 C ATOM 1753 C VAL A 112 -1.164 -4.404 4.601 1.00 0.17 C ATOM 1754 O VAL A 112 -1.257 -3.779 3.542 1.00 0.17 O ATOM 1755 CB VAL A 112 0.410 -3.075 6.017 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.762 -2.671 6.902 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.694 -3.093 6.829 1.00 0.21 C ATOM 0 H VAL A 112 1.182 -4.322 3.529 1.00 0.16 H new ATOM 0 HA VAL A 112 0.133 -5.199 6.137 1.00 0.16 H new ATOM 0 HB VAL A 112 0.512 -2.337 5.221 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.557 -1.703 7.358 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.667 -2.603 6.299 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -0.902 -3.418 7.683 1.00 0.22 H new ATOM 0 HG21 VAL A 112 1.848 -2.116 7.288 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.622 -3.853 7.607 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.535 -3.323 6.175 1.00 0.21 H new ATOM 1767 N LEU A 113 -2.170 -5.084 5.134 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.481 -5.114 4.507 1.00 0.19 C ATOM 1769 C LEU A 113 -4.283 -3.895 4.944 1.00 0.20 C ATOM 1770 O LEU A 113 -4.599 -3.732 6.124 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.219 -6.407 4.856 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.418 -6.737 3.962 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -4.975 -6.954 2.520 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -6.147 -7.965 4.480 1.00 0.29 C ATOM 0 H LEU A 113 -2.102 -5.621 5.998 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.358 -5.086 3.424 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.511 -7.235 4.807 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.563 -6.342 5.888 1.00 0.23 H new ATOM 0 HG LEU A 113 -6.103 -5.889 3.987 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -5.843 -7.187 1.904 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.497 -6.049 2.146 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.267 -7.782 2.477 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -6.996 -8.184 3.832 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.466 -8.816 4.487 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.503 -7.777 5.493 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.591 -3.038 3.990 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.318 -1.815 4.265 1.00 0.28 C ATOM 1788 C VAL A 114 -6.689 -1.810 3.597 1.00 0.24 C ATOM 1789 O VAL A 114 -6.800 -1.871 2.372 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.508 -0.590 3.790 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -5.340 0.678 3.851 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -3.246 -0.437 4.621 1.00 0.59 C ATOM 0 H VAL A 114 -4.346 -3.169 3.009 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.465 -1.761 5.344 1.00 0.28 H new ATOM 0 HB VAL A 114 -4.227 -0.756 2.750 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -4.741 1.523 3.510 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -6.214 0.571 3.209 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -5.663 0.853 4.877 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -2.685 0.431 4.274 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -3.514 -0.301 5.669 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -2.631 -1.331 4.517 1.00 0.59 H new ATOM 1802 N GLY A 115 -7.728 -1.754 4.416 1.00 0.20 N ATOM 1803 CA GLY A 115 -9.078 -1.709 3.902 1.00 0.19 C ATOM 1804 C GLY A 115 -9.561 -0.281 3.828 1.00 0.19 C ATOM 1805 O GLY A 115 -10.050 0.261 4.816 1.00 0.27 O ATOM 0 H GLY A 115 -7.658 -1.739 5.433 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -9.113 -2.164 2.912 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -9.739 -2.291 4.544 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.412 0.334 2.665 1.00 0.16 N ATOM 1810 CA ASN A 116 -9.804 1.728 2.476 1.00 0.15 C ATOM 1811 C ASN A 116 -11.305 1.858 2.250 1.00 0.16 C ATOM 1812 O ASN A 116 -11.994 0.862 2.010 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.041 2.333 1.291 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.116 3.853 1.254 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.194 4.509 2.292 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -9.112 4.424 0.060 1.00 0.21 N ATOM 0 H ASN A 116 -9.021 -0.109 1.833 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.552 2.273 3.385 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -7.996 2.027 1.343 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.445 1.931 0.362 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -9.175 5.439 -0.020 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -9.046 3.849 -0.780 1.00 0.21 H new ATOM 1823 N LYS A 117 -11.794 3.098 2.339 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.205 3.425 2.135 1.00 0.21 C ATOM 1825 C LYS A 117 -14.062 2.887 3.274 1.00 0.23 C ATOM 1826 O LYS A 117 -15.224 2.536 3.076 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.720 2.877 0.792 1.00 0.21 C ATOM 1828 CG LYS A 117 -12.923 3.339 -0.422 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.515 2.794 -1.713 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.662 3.161 -2.912 1.00 0.42 C ATOM 1831 NZ LYS A 117 -13.298 2.755 -4.189 1.00 0.54 N ATOM 0 H LYS A 117 -11.215 3.909 2.557 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.284 4.512 2.118 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.706 1.788 0.828 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -14.760 3.178 0.665 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -12.909 4.428 -0.457 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -11.888 3.010 -0.327 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -13.603 1.710 -1.645 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.523 3.187 -1.847 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -12.489 4.237 -2.919 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.687 2.682 -2.824 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.612 2.851 -4.965 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -13.609 1.765 -4.122 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -14.120 3.364 -4.377 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.497 2.861 4.479 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.215 2.361 5.650 1.00 0.33 C ATOM 1847 C CYS A 118 -15.353 3.302 6.067 1.00 0.38 C ATOM 1848 O CYS A 118 -16.120 2.998 6.980 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.252 2.155 6.823 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.634 3.693 7.555 1.00 0.41 S ATOM 0 H CYS A 118 -12.547 3.179 4.670 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.656 1.403 5.374 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -13.757 1.575 7.596 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.404 1.561 6.482 1.00 0.36 H new ATOM 0 HG CYS A 118 -12.683 3.607 8.851 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.455 4.439 5.395 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.493 5.426 5.686 1.00 0.45 C ATOM 1858 C ASP A 119 -17.710 5.210 4.797 1.00 0.46 C ATOM 1859 O ASP A 119 -18.768 5.801 5.021 1.00 0.54 O ATOM 1860 CB ASP A 119 -15.953 6.840 5.461 1.00 0.52 C ATOM 1861 CG ASP A 119 -15.598 7.097 4.009 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -14.512 6.653 3.580 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -16.407 7.733 3.297 1.00 0.70 O ATOM 0 H ASP A 119 -14.827 4.706 4.637 1.00 0.38 H new ATOM 0 HA ASP A 119 -16.789 5.306 6.728 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -16.698 7.567 5.784 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -15.069 6.992 6.081 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.560 4.365 3.789 1.00 0.42 N ATOM 1869 CA LEU A 120 -18.647 4.096 2.862 1.00 0.45 C ATOM 1870 C LEU A 120 -19.482 2.903 3.322 1.00 0.42 C ATOM 1871 O LEU A 120 -18.953 1.945 3.885 1.00 0.44 O ATOM 1872 CB LEU A 120 -18.097 3.842 1.454 1.00 0.53 C ATOM 1873 CG LEU A 120 -17.562 5.080 0.726 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -17.081 4.712 -0.666 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -18.626 6.164 0.652 1.00 0.62 C ATOM 0 H LEU A 120 -16.699 3.855 3.593 1.00 0.42 H new ATOM 0 HA LEU A 120 -19.292 4.974 2.839 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -17.295 3.106 1.522 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -18.887 3.398 0.848 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.716 5.470 1.293 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -16.705 5.603 -1.168 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -16.283 3.973 -0.592 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -17.909 4.295 -1.239 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -18.224 7.033 0.131 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -19.494 5.786 0.111 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.924 6.451 1.660 1.00 0.62 H new ATOM 1887 N PRO A 121 -20.806 2.971 3.125 1.00 0.42 N ATOM 1888 CA PRO A 121 -21.720 1.889 3.495 1.00 0.43 C ATOM 1889 C PRO A 121 -21.716 0.769 2.454 1.00 0.48 C ATOM 1890 O PRO A 121 -20.878 0.760 1.550 1.00 0.53 O ATOM 1891 CB PRO A 121 -23.075 2.595 3.537 1.00 0.44 C ATOM 1892 CG PRO A 121 -22.962 3.685 2.532 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.520 4.122 2.544 1.00 0.44 C ATOM 0 HA PRO A 121 -21.451 1.404 4.433 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -23.886 1.910 3.290 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -23.284 2.992 4.530 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -23.254 3.333 1.542 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -23.622 4.515 2.783 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -21.163 4.348 1.539 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.380 5.022 3.142 1.00 0.44 H new ATOM 1901 N SER A 122 -22.660 -0.159 2.584 1.00 0.52 N ATOM 1902 CA SER A 122 -22.767 -1.292 1.672 1.00 0.59 C ATOM 1903 C SER A 122 -21.469 -2.096 1.668 1.00 0.53 C ATOM 1904 O SER A 122 -20.967 -2.500 0.613 1.00 0.55 O ATOM 1905 CB SER A 122 -23.119 -0.819 0.257 1.00 0.68 C ATOM 1906 OG SER A 122 -24.263 0.018 0.271 1.00 0.84 O ATOM 0 H SER A 122 -23.367 -0.147 3.319 1.00 0.52 H new ATOM 0 HA SER A 122 -23.571 -1.940 2.020 1.00 0.59 H new ATOM 0 HB2 SER A 122 -22.274 -0.279 -0.170 1.00 0.68 H new ATOM 0 HB3 SER A 122 -23.303 -1.682 -0.383 1.00 0.68 H new ATOM 0 HG SER A 122 -24.467 0.308 -0.642 1.00 0.84 H new ATOM 1912 N ARG A 123 -20.938 -2.318 2.865 1.00 0.47 N ATOM 1913 CA ARG A 123 -19.702 -3.065 3.032 1.00 0.41 C ATOM 1914 C ARG A 123 -19.887 -4.498 2.552 1.00 0.36 C ATOM 1915 O ARG A 123 -20.714 -5.240 3.083 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.259 -3.057 4.498 1.00 0.45 C ATOM 1917 CG ARG A 123 -17.979 -3.837 4.741 1.00 0.42 C ATOM 1918 CD ARG A 123 -17.873 -4.312 6.181 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.479 -3.240 7.099 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.249 -3.086 7.592 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.271 -3.920 7.257 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -15.999 -2.105 8.442 1.00 0.58 N ATOM 0 H ARG A 123 -21.349 -1.988 3.738 1.00 0.47 H new ATOM 0 HA ARG A 123 -18.927 -2.586 2.434 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -19.116 -2.026 4.822 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -20.055 -3.477 5.113 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -17.944 -4.696 4.071 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -17.120 -3.210 4.501 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -18.833 -4.721 6.496 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -17.146 -5.122 6.240 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.192 -2.567 7.380 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.456 -4.691 6.615 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.335 -3.790 7.642 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -16.746 -1.468 8.720 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -15.059 -1.985 8.820 1.00 0.58 H new ATOM 1936 N THR A 124 -19.114 -4.882 1.554 1.00 0.33 N ATOM 1937 CA THR A 124 -19.202 -6.219 0.997 1.00 0.32 C ATOM 1938 C THR A 124 -18.160 -7.147 1.614 1.00 0.30 C ATOM 1939 O THR A 124 -18.398 -8.345 1.767 1.00 0.33 O ATOM 1940 CB THR A 124 -19.019 -6.174 -0.525 1.00 0.38 C ATOM 1941 OG1 THR A 124 -19.392 -4.876 -1.013 1.00 0.65 O ATOM 1942 CG2 THR A 124 -19.869 -7.230 -1.207 1.00 0.81 C ATOM 0 H THR A 124 -18.416 -4.285 1.111 1.00 0.33 H new ATOM 0 HA THR A 124 -20.191 -6.612 1.231 1.00 0.32 H new ATOM 0 HB THR A 124 -17.972 -6.373 -0.752 1.00 0.38 H new ATOM 0 HG1 THR A 124 -19.274 -4.846 -1.985 1.00 0.65 H new ATOM 0 HG21 THR A 124 -19.720 -7.176 -2.285 1.00 0.81 H new ATOM 0 HG22 THR A 124 -19.578 -8.218 -0.850 1.00 0.81 H new ATOM 0 HG23 THR A 124 -20.920 -7.056 -0.977 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.011 -6.588 1.969 1.00 0.33 N ATOM 1951 CA VAL A 125 -15.941 -7.371 2.569 1.00 0.32 C ATOM 1952 C VAL A 125 -15.976 -7.243 4.084 1.00 0.35 C ATOM 1953 O VAL A 125 -15.696 -6.177 4.637 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.553 -6.942 2.053 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.499 -7.959 2.460 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.572 -6.763 0.542 1.00 0.28 C ATOM 0 H VAL A 125 -16.797 -5.598 1.852 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.105 -8.410 2.282 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.299 -5.983 2.504 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.525 -7.642 2.088 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.466 -8.034 3.547 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -13.750 -8.932 2.037 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.583 -6.460 0.199 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -14.848 -7.705 0.068 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.299 -5.996 0.276 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.332 -8.331 4.750 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.419 -8.340 6.203 1.00 0.41 C ATOM 1968 C ASP A 126 -15.034 -8.254 6.835 1.00 0.36 C ATOM 1969 O ASP A 126 -14.051 -8.745 6.275 1.00 0.34 O ATOM 1970 CB ASP A 126 -17.136 -9.600 6.689 1.00 0.47 C ATOM 1971 CG ASP A 126 -17.337 -9.601 8.193 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -16.601 -10.322 8.898 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -18.222 -8.864 8.680 1.00 1.69 O ATOM 0 H ASP A 126 -16.566 -9.220 4.307 1.00 0.37 H new ATOM 0 HA ASP A 126 -16.993 -7.465 6.509 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -18.104 -9.678 6.195 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.559 -10.479 6.401 1.00 0.47 H new ATOM 1978 N THR A 127 -14.975 -7.627 8.000 1.00 0.36 N ATOM 1979 CA THR A 127 -13.735 -7.449 8.742 1.00 0.33 C ATOM 1980 C THR A 127 -13.017 -8.780 9.007 1.00 0.27 C ATOM 1981 O THR A 127 -11.793 -8.863 8.893 1.00 0.26 O ATOM 1982 CB THR A 127 -14.021 -6.752 10.084 1.00 0.39 C ATOM 1983 OG1 THR A 127 -15.157 -5.887 9.941 1.00 0.82 O ATOM 1984 CG2 THR A 127 -12.820 -5.938 10.547 1.00 0.56 C ATOM 0 H THR A 127 -15.791 -7.225 8.461 1.00 0.36 H new ATOM 0 HA THR A 127 -13.080 -6.832 8.127 1.00 0.33 H new ATOM 0 HB THR A 127 -14.226 -7.518 10.832 1.00 0.39 H new ATOM 0 HG1 THR A 127 -15.341 -5.444 10.796 1.00 0.82 H new ATOM 0 HG21 THR A 127 -13.051 -5.457 11.497 1.00 0.56 H new ATOM 0 HG22 THR A 127 -11.961 -6.597 10.673 1.00 0.56 H new ATOM 0 HG23 THR A 127 -12.587 -5.177 9.802 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.782 -9.820 9.329 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.210 -11.134 9.622 1.00 0.27 C ATOM 1994 C LYS A 128 -12.551 -11.742 8.390 1.00 0.24 C ATOM 1995 O LYS A 128 -11.486 -12.345 8.485 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.292 -12.081 10.158 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.796 -13.500 10.414 1.00 0.39 C ATOM 1998 CD LYS A 128 -14.944 -14.450 10.712 1.00 0.46 C ATOM 1999 CE LYS A 128 -14.458 -15.882 10.898 1.00 0.54 C ATOM 2000 NZ LYS A 128 -13.908 -16.461 9.641 1.00 0.62 N ATOM 0 H LYS A 128 -14.799 -9.780 9.394 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.443 -10.998 10.384 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.692 -11.673 11.086 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -15.116 -12.117 9.445 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -13.245 -13.856 9.543 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -13.099 -13.497 11.252 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -15.463 -14.122 11.613 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -15.667 -14.414 9.897 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -13.691 -15.905 11.672 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -15.284 -16.501 11.249 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -14.092 -17.484 9.621 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -14.365 -16.011 8.822 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -12.883 -16.292 9.601 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.169 -11.554 7.233 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.641 -12.106 5.989 1.00 0.26 C ATOM 2016 C GLN A 129 -11.257 -11.544 5.687 1.00 0.25 C ATOM 2017 O GLN A 129 -10.352 -12.275 5.277 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.584 -11.806 4.826 1.00 0.30 C ATOM 2019 CG GLN A 129 -14.934 -12.490 4.945 1.00 0.54 C ATOM 2020 CD GLN A 129 -15.802 -12.304 3.716 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -17.019 -12.178 3.820 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -15.186 -12.302 2.542 1.00 0.93 N ATOM 0 H GLN A 129 -14.035 -11.025 7.127 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.560 -13.186 6.112 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -13.737 -10.729 4.762 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -13.110 -12.117 3.895 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -14.781 -13.555 5.118 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -15.458 -12.098 5.816 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -14.173 -12.409 2.498 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -15.725 -12.193 1.683 1.00 0.93 H new ATOM 2031 N ALA A 130 -11.093 -10.245 5.895 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.812 -9.600 5.649 1.00 0.27 C ATOM 2033 C ALA A 130 -8.809 -9.968 6.735 1.00 0.25 C ATOM 2034 O ALA A 130 -7.633 -10.208 6.454 1.00 0.27 O ATOM 2035 CB ALA A 130 -9.981 -8.094 5.556 1.00 0.30 C ATOM 0 H ALA A 130 -11.826 -9.621 6.231 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.425 -9.957 4.695 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -9.012 -7.630 5.372 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.660 -7.854 4.738 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.393 -7.716 6.492 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.279 -10.015 7.977 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.429 -10.376 9.108 1.00 0.26 C ATOM 2043 C GLN A 131 -7.913 -11.802 8.939 1.00 0.27 C ATOM 2044 O GLN A 131 -6.737 -12.083 9.177 1.00 0.28 O ATOM 2045 CB GLN A 131 -9.205 -10.240 10.422 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.373 -10.506 11.671 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.210 -9.545 11.821 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -6.105 -9.811 11.353 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -7.451 -8.422 12.479 1.00 0.42 N ATOM 0 H GLN A 131 -10.246 -9.807 8.227 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.577 -9.697 9.139 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.620 -9.234 10.483 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -10.047 -10.932 10.406 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -9.013 -10.434 12.550 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.992 -11.527 11.637 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -8.383 -8.239 12.852 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -6.705 -7.739 12.613 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.794 -12.700 8.509 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.426 -14.095 8.287 1.00 0.33 C ATOM 2060 C ASP A 132 -7.358 -14.196 7.214 1.00 0.28 C ATOM 2061 O ASP A 132 -6.465 -15.045 7.282 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.642 -14.921 7.868 1.00 0.41 C ATOM 2063 CG ASP A 132 -10.124 -15.835 8.970 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -9.285 -16.290 9.779 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -11.339 -16.111 9.028 1.00 1.18 O ATOM 0 H ASP A 132 -9.771 -12.486 8.307 1.00 0.29 H new ATOM 0 HA ASP A 132 -8.037 -14.490 9.226 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.450 -14.251 7.576 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.389 -15.516 6.991 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.452 -13.319 6.224 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.500 -13.288 5.125 1.00 0.26 C ATOM 2072 C LEU A 133 -5.144 -12.820 5.626 1.00 0.21 C ATOM 2073 O LEU A 133 -4.117 -13.424 5.319 1.00 0.20 O ATOM 2074 CB LEU A 133 -6.990 -12.359 4.012 1.00 0.32 C ATOM 2075 CG LEU A 133 -6.126 -12.345 2.747 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -6.322 -13.629 1.955 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.441 -11.119 1.891 1.00 0.44 C ATOM 0 H LEU A 133 -8.186 -12.614 6.161 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.407 -14.296 4.721 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -8.004 -12.651 3.737 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -7.046 -11.344 4.406 1.00 0.32 H new ATOM 0 HG LEU A 133 -5.079 -12.286 3.044 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -5.701 -13.603 1.060 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -6.036 -14.483 2.570 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -7.369 -13.723 1.668 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -5.816 -11.129 0.998 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.491 -11.139 1.600 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -6.240 -10.214 2.464 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.157 -11.744 6.402 1.00 0.21 N ATOM 2090 CA ALA A 134 -3.936 -11.184 6.959 1.00 0.21 C ATOM 2091 C ALA A 134 -3.225 -12.201 7.850 1.00 0.22 C ATOM 2092 O ALA A 134 -2.004 -12.352 7.780 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.245 -9.915 7.735 1.00 0.25 C ATOM 0 H ALA A 134 -6.006 -11.240 6.660 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.267 -10.934 6.135 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.322 -9.506 8.147 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.701 -9.183 7.068 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -4.934 -10.144 8.548 1.00 0.25 H new ATOM 2099 N ARG A 135 -4.000 -12.913 8.670 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.447 -13.922 9.572 1.00 0.30 C ATOM 2101 C ARG A 135 -2.837 -15.083 8.790 1.00 0.25 C ATOM 2102 O ARG A 135 -1.851 -15.674 9.221 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.528 -14.435 10.524 1.00 0.41 C ATOM 2104 CG ARG A 135 -5.062 -13.371 11.470 1.00 1.21 C ATOM 2105 CD ARG A 135 -5.945 -13.969 12.553 1.00 1.34 C ATOM 2106 NE ARG A 135 -7.198 -14.476 12.004 1.00 1.20 N ATOM 2107 CZ ARG A 135 -8.408 -14.116 12.439 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -8.536 -13.237 13.427 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -9.493 -14.644 11.892 1.00 1.43 N ATOM 0 H ARG A 135 -5.013 -12.809 8.727 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.655 -13.454 10.157 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -5.355 -14.837 9.938 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -4.122 -15.260 11.110 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -4.227 -12.844 11.932 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -5.631 -12.634 10.904 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.412 -14.778 13.052 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -6.158 -13.213 13.309 1.00 1.34 H new ATOM 0 HE ARG A 135 -7.146 -15.149 11.239 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -7.706 -12.831 13.860 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -9.464 -12.968 13.753 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -9.404 -15.326 11.138 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -10.417 -14.369 12.224 1.00 1.43 H new ATOM 2123 N SER A 136 -3.415 -15.388 7.631 1.00 0.30 N ATOM 2124 CA SER A 136 -2.916 -16.469 6.791 1.00 0.34 C ATOM 2125 C SER A 136 -1.609 -16.057 6.109 1.00 0.29 C ATOM 2126 O SER A 136 -0.745 -16.892 5.841 1.00 0.36 O ATOM 2127 CB SER A 136 -3.967 -16.874 5.745 1.00 0.43 C ATOM 2128 OG SER A 136 -5.219 -17.187 6.356 1.00 0.68 O ATOM 0 H SER A 136 -4.228 -14.901 7.254 1.00 0.30 H new ATOM 0 HA SER A 136 -2.717 -17.332 7.426 1.00 0.34 H new ATOM 0 HB2 SER A 136 -4.102 -16.062 5.030 1.00 0.43 H new ATOM 0 HB3 SER A 136 -3.609 -17.737 5.183 1.00 0.43 H new ATOM 0 HG SER A 136 -5.744 -16.367 6.466 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.461 -14.763 5.848 1.00 0.27 N ATOM 2135 CA TYR A 137 -0.255 -14.247 5.219 1.00 0.26 C ATOM 2136 C TYR A 137 0.839 -14.036 6.258 1.00 0.25 C ATOM 2137 O TYR A 137 2.015 -14.319 6.014 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.532 -12.907 4.536 1.00 0.30 C ATOM 2139 CG TYR A 137 -1.331 -12.981 3.249 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -1.243 -14.076 2.390 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -2.160 -11.930 2.881 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -1.960 -14.113 1.211 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -2.880 -11.969 1.703 1.00 0.65 C ATOM 2144 CZ TYR A 137 -2.774 -13.061 0.875 1.00 0.63 C ATOM 2145 OH TYR A 137 -3.489 -13.103 -0.300 1.00 0.77 O ATOM 0 H TYR A 137 -2.162 -14.054 6.063 1.00 0.27 H new ATOM 0 HA TYR A 137 0.069 -14.979 4.479 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -1.065 -12.265 5.237 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.422 -12.424 4.323 1.00 0.30 H new ATOM 0 HD1 TYR A 137 -0.605 -14.907 2.651 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -2.243 -11.068 3.526 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -1.880 -14.967 0.555 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -3.524 -11.145 1.434 1.00 0.65 H new ATOM 0 HH TYR A 137 -4.018 -12.283 -0.391 1.00 0.77 H new ATOM 2155 N GLY A 138 0.430 -13.536 7.415 1.00 0.24 N ATOM 2156 CA GLY A 138 1.362 -13.248 8.482 1.00 0.23 C ATOM 2157 C GLY A 138 1.654 -11.767 8.526 1.00 0.21 C ATOM 2158 O GLY A 138 2.761 -11.346 8.859 1.00 0.25 O ATOM 0 H GLY A 138 -0.543 -13.323 7.634 1.00 0.24 H new ATOM 0 HA2 GLY A 138 0.948 -13.574 9.436 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.286 -13.805 8.329 1.00 0.23 H new ATOM 2162 N ILE A 139 0.651 -10.979 8.158 1.00 0.19 N ATOM 2163 CA ILE A 139 0.773 -9.529 8.126 1.00 0.20 C ATOM 2164 C ILE A 139 -0.375 -8.874 8.903 1.00 0.19 C ATOM 2165 O ILE A 139 -1.339 -9.546 9.266 1.00 0.22 O ATOM 2166 CB ILE A 139 0.766 -9.006 6.669 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.534 -9.413 5.966 1.00 0.26 C ATOM 2168 CG2 ILE A 139 1.973 -9.525 5.899 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -1.045 -8.398 4.967 1.00 0.51 C ATOM 0 H ILE A 139 -0.265 -11.326 7.875 1.00 0.19 H new ATOM 0 HA ILE A 139 1.722 -9.267 8.594 1.00 0.20 H new ATOM 0 HB ILE A 139 0.825 -7.918 6.696 1.00 0.23 H new ATOM 0 HG12 ILE A 139 -0.375 -10.362 5.453 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -1.303 -9.583 6.719 1.00 0.26 H new ATOM 0 HG21 ILE A 139 1.945 -9.143 4.878 1.00 0.28 H new ATOM 0 HG22 ILE A 139 2.888 -9.189 6.387 1.00 0.28 H new ATOM 0 HG23 ILE A 139 1.951 -10.615 5.880 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -1.967 -8.764 4.516 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -1.240 -7.453 5.475 1.00 0.51 H new ATOM 0 HD13 ILE A 139 -0.297 -8.244 4.189 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.289 -7.559 9.177 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.330 -6.839 9.903 1.00 0.19 C ATOM 2183 C PRO A 140 -2.441 -6.324 8.982 1.00 0.16 C ATOM 2184 O PRO A 140 -2.242 -6.189 7.770 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.568 -5.660 10.532 1.00 0.24 C ATOM 2186 CG PRO A 140 0.814 -5.667 9.946 1.00 0.36 C ATOM 2187 CD PRO A 140 0.820 -6.669 8.825 1.00 0.20 C ATOM 0 HA PRO A 140 -1.837 -7.478 10.626 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -1.072 -4.717 10.319 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.527 -5.762 11.616 1.00 0.24 H new ATOM 0 HG2 PRO A 140 1.080 -4.676 9.577 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.551 -5.934 10.703 1.00 0.36 H new ATOM 0 HD2 PRO A 140 0.665 -6.193 7.857 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.767 -7.206 8.768 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.598 -6.031 9.565 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.745 -5.523 8.816 1.00 0.19 C ATOM 2197 C PHE A 141 -5.367 -4.341 9.547 1.00 0.19 C ATOM 2198 O PHE A 141 -5.632 -4.414 10.748 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.795 -6.625 8.615 1.00 0.25 C ATOM 2200 CG PHE A 141 -7.154 -6.102 8.214 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.351 -5.529 6.966 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -8.227 -6.175 9.089 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.591 -5.037 6.602 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.468 -5.686 8.728 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.650 -5.115 7.485 1.00 0.35 C ATOM 0 H PHE A 141 -3.769 -6.138 10.565 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.396 -5.195 7.837 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.441 -7.317 7.850 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -5.893 -7.195 9.539 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.527 -5.466 6.271 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -8.091 -6.619 10.064 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.731 -4.592 5.628 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.296 -5.751 9.419 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.619 -4.730 7.203 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.589 -3.255 8.819 1.00 0.18 N ATOM 2216 CA ILE A 142 -6.176 -2.054 9.395 1.00 0.21 C ATOM 2217 C ILE A 142 -7.190 -1.428 8.439 1.00 0.19 C ATOM 2218 O ILE A 142 -6.921 -1.275 7.244 1.00 0.20 O ATOM 2219 CB ILE A 142 -5.091 -0.998 9.725 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -3.972 -1.613 10.571 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -5.705 0.192 10.455 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -2.649 -0.893 10.436 1.00 0.54 C ATOM 0 H ILE A 142 -5.370 -3.182 7.825 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.676 -2.357 10.315 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.663 -0.650 8.785 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -4.274 -1.608 11.618 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -3.840 -2.656 10.282 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -4.927 0.923 10.678 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.466 0.653 9.825 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -6.161 -0.148 11.385 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -1.903 -1.382 11.062 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.324 -0.921 9.396 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -2.765 0.144 10.752 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.362 -1.088 8.963 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.392 -0.442 8.166 1.00 0.21 C ATOM 2236 C GLU A 143 -9.081 1.044 8.125 1.00 0.21 C ATOM 2237 O GLU A 143 -8.831 1.651 9.169 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.785 -0.671 8.764 1.00 0.28 C ATOM 2239 CG GLU A 143 -11.095 -2.125 9.083 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.527 -2.316 9.536 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -12.893 -1.777 10.607 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -13.298 -2.997 8.829 1.00 0.88 O ATOM 0 H GLU A 143 -8.620 -1.250 9.936 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.397 -0.866 7.162 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -10.877 -0.083 9.677 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.534 -0.296 8.066 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -10.910 -2.737 8.200 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.419 -2.477 9.862 1.00 0.34 H new ATOM 2249 N THR A 144 -9.066 1.630 6.942 1.00 0.24 N ATOM 2250 CA THR A 144 -8.734 3.038 6.816 1.00 0.27 C ATOM 2251 C THR A 144 -9.653 3.749 5.830 1.00 0.26 C ATOM 2252 O THR A 144 -10.479 3.131 5.161 1.00 0.28 O ATOM 2253 CB THR A 144 -7.267 3.238 6.361 1.00 0.36 C ATOM 2254 OG1 THR A 144 -7.110 2.817 4.999 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.301 2.457 7.244 1.00 0.36 C ATOM 0 H THR A 144 -9.277 1.159 6.062 1.00 0.24 H new ATOM 0 HA THR A 144 -8.868 3.472 7.807 1.00 0.27 H new ATOM 0 HB THR A 144 -7.036 4.300 6.448 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.229 3.094 4.670 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.280 2.619 6.898 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.393 2.799 8.275 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.538 1.394 7.191 1.00 0.36 H new ATOM 2263 N SER A 145 -9.488 5.057 5.763 1.00 0.25 N ATOM 2264 CA SER A 145 -10.257 5.900 4.871 1.00 0.26 C ATOM 2265 C SER A 145 -9.471 7.170 4.600 1.00 0.26 C ATOM 2266 O SER A 145 -8.978 7.808 5.531 1.00 0.30 O ATOM 2267 CB SER A 145 -11.620 6.237 5.482 1.00 0.27 C ATOM 2268 OG SER A 145 -12.264 7.280 4.766 1.00 0.33 O ATOM 0 H SER A 145 -8.811 5.567 6.331 1.00 0.25 H new ATOM 0 HA SER A 145 -10.434 5.369 3.936 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.251 5.348 5.480 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.491 6.534 6.523 1.00 0.27 H new ATOM 0 HG SER A 145 -12.945 6.898 4.174 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.337 7.531 3.337 1.00 0.33 N ATOM 2275 CA ALA A 146 -8.612 8.734 2.971 1.00 0.34 C ATOM 2276 C ALA A 146 -9.444 9.970 3.288 1.00 0.29 C ATOM 2277 O ALA A 146 -8.961 11.098 3.219 1.00 0.32 O ATOM 2278 CB ALA A 146 -8.238 8.696 1.498 1.00 0.45 C ATOM 0 H ALA A 146 -9.720 7.009 2.549 1.00 0.33 H new ATOM 0 HA ALA A 146 -7.693 8.783 3.555 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -7.695 9.604 1.237 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -7.608 7.828 1.305 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -9.143 8.629 0.894 1.00 0.45 H new ATOM 2284 N LYS A 147 -10.700 9.741 3.651 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.616 10.817 3.980 1.00 0.40 C ATOM 2286 C LYS A 147 -11.473 11.226 5.444 1.00 0.40 C ATOM 2287 O LYS A 147 -11.277 12.402 5.752 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.048 10.368 3.690 1.00 0.50 C ATOM 2289 CG LYS A 147 -14.095 11.448 3.883 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.492 10.863 3.758 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.572 11.932 3.773 1.00 1.04 C ATOM 2292 NZ LYS A 147 -17.896 11.379 3.379 1.00 1.32 N ATOM 0 H LYS A 147 -11.107 8.809 3.724 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.376 11.685 3.366 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -13.101 10.007 2.663 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.290 9.525 4.337 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -13.974 11.909 4.863 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -13.956 12.234 3.141 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.562 10.292 2.832 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -15.665 10.164 4.577 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -16.641 12.366 4.770 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -16.297 12.738 3.093 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.609 12.136 3.400 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -17.836 10.987 2.418 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -18.170 10.627 4.043 1.00 1.32 H new ATOM 2306 N THR A 148 -11.547 10.251 6.338 1.00 0.37 N ATOM 2307 CA THR A 148 -11.450 10.520 7.768 1.00 0.41 C ATOM 2308 C THR A 148 -10.010 10.434 8.275 1.00 0.42 C ATOM 2309 O THR A 148 -9.717 10.867 9.392 1.00 0.49 O ATOM 2310 CB THR A 148 -12.328 9.533 8.561 1.00 0.43 C ATOM 2311 OG1 THR A 148 -12.239 8.226 7.973 1.00 0.40 O ATOM 2312 CG2 THR A 148 -13.776 9.997 8.569 1.00 0.52 C ATOM 0 H THR A 148 -11.674 9.267 6.101 1.00 0.37 H new ATOM 0 HA THR A 148 -11.803 11.539 7.923 1.00 0.41 H new ATOM 0 HB THR A 148 -11.969 9.493 9.590 1.00 0.43 H new ATOM 0 HG1 THR A 148 -12.797 7.600 8.480 1.00 0.40 H new ATOM 0 HG21 THR A 148 -14.382 9.288 9.133 1.00 0.52 H new ATOM 0 HG22 THR A 148 -13.840 10.981 9.034 1.00 0.52 H new ATOM 0 HG23 THR A 148 -14.145 10.055 7.545 1.00 0.52 H new ATOM 2320 N ARG A 149 -9.123 9.865 7.446 1.00 0.39 N ATOM 2321 CA ARG A 149 -7.701 9.690 7.786 1.00 0.46 C ATOM 2322 C ARG A 149 -7.538 8.692 8.939 1.00 0.48 C ATOM 2323 O ARG A 149 -6.503 8.654 9.608 1.00 0.66 O ATOM 2324 CB ARG A 149 -7.051 11.031 8.160 1.00 0.54 C ATOM 2325 CG ARG A 149 -7.187 12.117 7.098 1.00 0.98 C ATOM 2326 CD ARG A 149 -6.406 13.371 7.472 1.00 0.93 C ATOM 2327 NE ARG A 149 -5.099 13.425 6.814 1.00 1.19 N ATOM 2328 CZ ARG A 149 -3.933 13.336 7.452 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -3.895 13.193 8.774 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -2.800 13.390 6.762 1.00 1.39 N ATOM 0 H ARG A 149 -9.370 9.513 6.521 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.197 9.296 6.903 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -7.496 11.390 9.088 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -5.992 10.865 8.358 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -6.829 11.737 6.141 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -8.239 12.369 6.968 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -6.985 14.253 7.199 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -6.268 13.403 8.553 1.00 0.93 H new ATOM 0 HE ARG A 149 -5.080 13.538 5.800 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -4.763 13.151 9.308 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -2.998 13.126 9.254 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -2.825 13.499 5.748 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -1.905 13.322 7.246 1.00 1.39 H new ATOM 2344 N GLN A 150 -8.558 7.869 9.142 1.00 0.40 N ATOM 2345 CA GLN A 150 -8.553 6.885 10.217 1.00 0.42 C ATOM 2346 C GLN A 150 -7.632 5.709 9.905 1.00 0.42 C ATOM 2347 O GLN A 150 -7.794 5.038 8.892 1.00 0.51 O ATOM 2348 CB GLN A 150 -9.972 6.367 10.474 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.022 5.224 11.477 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.211 4.308 11.270 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.286 4.746 10.862 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -11.027 3.028 11.536 1.00 0.87 N ATOM 0 H GLN A 150 -9.404 7.863 8.573 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.177 7.385 11.110 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -10.591 7.188 10.837 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.406 6.034 9.531 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.104 4.641 11.402 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -10.058 5.634 12.486 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -10.121 2.702 11.873 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -11.791 2.365 11.405 1.00 0.87 H new ATOM 2361 N GLY A 151 -6.650 5.495 10.776 1.00 0.42 N ATOM 2362 CA GLY A 151 -5.726 4.379 10.632 1.00 0.51 C ATOM 2363 C GLY A 151 -4.737 4.510 9.492 1.00 0.45 C ATOM 2364 O GLY A 151 -3.861 3.659 9.339 1.00 0.42 O ATOM 0 H GLY A 151 -6.475 6.083 11.591 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.171 4.264 11.563 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.303 3.465 10.490 1.00 0.51 H new ATOM 2368 N VAL A 152 -4.859 5.559 8.699 1.00 0.49 N ATOM 2369 CA VAL A 152 -3.965 5.759 7.567 1.00 0.50 C ATOM 2370 C VAL A 152 -2.527 5.933 8.042 1.00 0.39 C ATOM 2371 O VAL A 152 -1.620 5.247 7.570 1.00 0.41 O ATOM 2372 CB VAL A 152 -4.392 6.971 6.719 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -3.480 7.135 5.517 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -5.838 6.826 6.270 1.00 0.67 C ATOM 0 H VAL A 152 -5.566 6.285 8.815 1.00 0.49 H new ATOM 0 HA VAL A 152 -4.026 4.869 6.940 1.00 0.50 H new ATOM 0 HB VAL A 152 -4.308 7.864 7.338 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -3.800 7.997 4.932 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -2.455 7.287 5.856 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.529 6.239 4.898 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.122 7.692 5.672 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -5.944 5.921 5.672 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -6.486 6.761 7.144 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.328 6.842 8.992 1.00 0.37 N ATOM 2385 CA ASP A 153 -0.994 7.091 9.543 1.00 0.38 C ATOM 2386 C ASP A 153 -0.444 5.831 10.206 1.00 0.32 C ATOM 2387 O ASP A 153 0.741 5.516 10.096 1.00 0.33 O ATOM 2388 CB ASP A 153 -1.030 8.228 10.567 1.00 0.51 C ATOM 2389 CG ASP A 153 -1.000 9.598 9.925 1.00 0.87 C ATOM 2390 OD1 ASP A 153 0.099 10.184 9.822 1.00 1.62 O ATOM 2391 OD2 ASP A 153 -2.072 10.102 9.532 1.00 1.24 O ATOM 0 H ASP A 153 -3.067 7.417 9.396 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.342 7.378 8.718 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -1.931 8.136 11.174 1.00 0.51 H new ATOM 0 HB3 ASP A 153 -0.180 8.130 11.242 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.326 5.111 10.888 1.00 0.31 N ATOM 2397 CA ASP A 154 -0.957 3.885 11.588 1.00 0.32 C ATOM 2398 C ASP A 154 -0.482 2.826 10.599 1.00 0.31 C ATOM 2399 O ASP A 154 0.500 2.127 10.846 1.00 0.34 O ATOM 2400 CB ASP A 154 -2.145 3.352 12.397 1.00 0.38 C ATOM 2401 CG ASP A 154 -2.599 4.314 13.474 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -3.321 5.279 13.147 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -2.241 4.110 14.658 1.00 1.00 O ATOM 0 H ASP A 154 -2.312 5.358 10.972 1.00 0.31 H new ATOM 0 HA ASP A 154 -0.141 4.115 12.272 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -2.977 3.150 11.722 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -1.869 2.403 12.857 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.185 2.717 9.477 1.00 0.30 N ATOM 2409 CA ALA A 155 -0.838 1.753 8.439 1.00 0.32 C ATOM 2410 C ALA A 155 0.553 2.034 7.885 1.00 0.29 C ATOM 2411 O ALA A 155 1.383 1.126 7.777 1.00 0.31 O ATOM 2412 CB ALA A 155 -1.870 1.777 7.323 1.00 0.37 C ATOM 0 H ALA A 155 -2.003 3.288 9.262 1.00 0.30 H new ATOM 0 HA ALA A 155 -0.834 0.758 8.885 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -1.595 1.052 6.557 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -2.850 1.523 7.728 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -1.906 2.773 6.882 1.00 0.37 H new ATOM 2418 N PHE A 156 0.804 3.298 7.547 1.00 0.28 N ATOM 2419 CA PHE A 156 2.104 3.710 7.011 1.00 0.30 C ATOM 2420 C PHE A 156 3.216 3.418 8.013 1.00 0.29 C ATOM 2421 O PHE A 156 4.288 2.934 7.644 1.00 0.33 O ATOM 2422 CB PHE A 156 2.108 5.206 6.683 1.00 0.36 C ATOM 2423 CG PHE A 156 1.159 5.612 5.589 1.00 0.55 C ATOM 2424 CD1 PHE A 156 0.593 6.877 5.595 1.00 1.21 C ATOM 2425 CD2 PHE A 156 0.838 4.742 4.556 1.00 0.92 C ATOM 2426 CE1 PHE A 156 -0.273 7.268 4.596 1.00 1.46 C ATOM 2427 CE2 PHE A 156 -0.031 5.129 3.555 1.00 1.05 C ATOM 2428 CZ PHE A 156 -0.588 6.392 3.575 1.00 1.11 C ATOM 0 H PHE A 156 0.126 4.055 7.634 1.00 0.28 H new ATOM 0 HA PHE A 156 2.279 3.141 6.098 1.00 0.30 H new ATOM 0 HB2 PHE A 156 1.859 5.763 7.586 1.00 0.36 H new ATOM 0 HB3 PHE A 156 3.118 5.499 6.396 1.00 0.36 H new ATOM 0 HD1 PHE A 156 0.833 7.565 6.392 1.00 1.21 H new ATOM 0 HD2 PHE A 156 1.272 3.753 4.535 1.00 0.92 H new ATOM 0 HE1 PHE A 156 -0.705 8.258 4.611 1.00 1.46 H new ATOM 0 HE2 PHE A 156 -0.275 4.444 2.757 1.00 1.05 H new ATOM 0 HZ PHE A 156 -1.269 6.695 2.794 1.00 1.11 H new ATOM 2438 N TYR A 157 2.950 3.722 9.278 1.00 0.29 N ATOM 2439 CA TYR A 157 3.912 3.497 10.350 1.00 0.34 C ATOM 2440 C TYR A 157 4.218 2.012 10.508 1.00 0.32 C ATOM 2441 O TYR A 157 5.382 1.613 10.613 1.00 0.35 O ATOM 2442 CB TYR A 157 3.363 4.046 11.669 1.00 0.43 C ATOM 2443 CG TYR A 157 3.625 5.523 11.893 1.00 0.47 C ATOM 2444 CD1 TYR A 157 3.736 6.412 10.828 1.00 0.86 C ATOM 2445 CD2 TYR A 157 3.751 6.030 13.182 1.00 0.88 C ATOM 2446 CE1 TYR A 157 3.963 7.757 11.042 1.00 0.98 C ATOM 2447 CE2 TYR A 157 3.980 7.372 13.404 1.00 0.98 C ATOM 2448 CZ TYR A 157 4.083 8.233 12.331 1.00 0.79 C ATOM 2449 OH TYR A 157 4.303 9.571 12.550 1.00 0.99 O ATOM 0 H TYR A 157 2.067 4.129 9.588 1.00 0.29 H new ATOM 0 HA TYR A 157 4.834 4.017 10.091 1.00 0.34 H new ATOM 0 HB2 TYR A 157 2.287 3.872 11.701 1.00 0.43 H new ATOM 0 HB3 TYR A 157 3.802 3.483 12.493 1.00 0.43 H new ATOM 0 HD1 TYR A 157 3.643 6.044 9.817 1.00 0.86 H new ATOM 0 HD2 TYR A 157 3.668 5.360 14.025 1.00 0.88 H new ATOM 0 HE1 TYR A 157 4.046 8.433 10.204 1.00 0.98 H new ATOM 0 HE2 TYR A 157 4.078 7.747 14.412 1.00 0.98 H new ATOM 0 HH TYR A 157 4.362 9.739 13.514 1.00 0.99 H new ATOM 2459 N THR A 158 3.168 1.200 10.502 1.00 0.29 N ATOM 2460 CA THR A 158 3.304 -0.241 10.655 1.00 0.28 C ATOM 2461 C THR A 158 4.107 -0.853 9.508 1.00 0.25 C ATOM 2462 O THR A 158 4.946 -1.724 9.735 1.00 0.29 O ATOM 2463 CB THR A 158 1.923 -0.928 10.752 1.00 0.29 C ATOM 2464 OG1 THR A 158 1.131 -0.285 11.763 1.00 0.30 O ATOM 2465 CG2 THR A 158 2.064 -2.409 11.080 1.00 0.34 C ATOM 0 H THR A 158 2.206 1.520 10.392 1.00 0.29 H new ATOM 0 HA THR A 158 3.846 -0.411 11.586 1.00 0.28 H new ATOM 0 HB THR A 158 1.431 -0.838 9.783 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.621 0.449 11.361 1.00 0.30 H new ATOM 0 HG21 THR A 158 1.075 -2.864 11.141 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.642 -2.901 10.298 1.00 0.34 H new ATOM 0 HG23 THR A 158 2.576 -2.523 12.036 1.00 0.34 H new ATOM 2473 N LEU A 159 3.874 -0.378 8.287 1.00 0.23 N ATOM 2474 CA LEU A 159 4.588 -0.894 7.121 1.00 0.23 C ATOM 2475 C LEU A 159 6.097 -0.705 7.287 1.00 0.22 C ATOM 2476 O LEU A 159 6.886 -1.595 6.965 1.00 0.21 O ATOM 2477 CB LEU A 159 4.095 -0.203 5.841 1.00 0.25 C ATOM 2478 CG LEU A 159 4.668 -0.753 4.527 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.377 -2.237 4.389 1.00 0.40 C ATOM 2480 CD2 LEU A 159 4.089 -0.001 3.339 1.00 0.42 C ATOM 0 H LEU A 159 3.200 0.359 8.079 1.00 0.23 H new ATOM 0 HA LEU A 159 4.384 -1.961 7.037 1.00 0.23 H new ATOM 0 HB2 LEU A 159 3.008 -0.280 5.803 1.00 0.25 H new ATOM 0 HB3 LEU A 159 4.337 0.858 5.906 1.00 0.25 H new ATOM 0 HG LEU A 159 5.749 -0.611 4.546 1.00 0.28 H new ATOM 0 HD11 LEU A 159 4.793 -2.604 3.450 1.00 0.40 H new ATOM 0 HD12 LEU A 159 4.830 -2.776 5.221 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.299 -2.399 4.396 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.506 -0.403 2.416 1.00 0.42 H new ATOM 0 HD22 LEU A 159 3.005 -0.116 3.329 1.00 0.42 H new ATOM 0 HD23 LEU A 159 4.341 1.056 3.420 1.00 0.42 H new ATOM 2492 N VAL A 160 6.489 0.449 7.817 1.00 0.26 N ATOM 2493 CA VAL A 160 7.898 0.748 8.040 1.00 0.29 C ATOM 2494 C VAL A 160 8.476 -0.185 9.102 1.00 0.27 C ATOM 2495 O VAL A 160 9.609 -0.657 8.985 1.00 0.28 O ATOM 2496 CB VAL A 160 8.102 2.217 8.477 1.00 0.37 C ATOM 2497 CG1 VAL A 160 9.562 2.491 8.813 1.00 0.55 C ATOM 2498 CG2 VAL A 160 7.614 3.169 7.395 1.00 0.34 C ATOM 0 H VAL A 160 5.850 1.192 8.100 1.00 0.26 H new ATOM 0 HA VAL A 160 8.420 0.595 7.096 1.00 0.29 H new ATOM 0 HB VAL A 160 7.512 2.385 9.378 1.00 0.37 H new ATOM 0 HG11 VAL A 160 9.676 3.531 9.117 1.00 0.55 H new ATOM 0 HG12 VAL A 160 9.877 1.838 9.627 1.00 0.55 H new ATOM 0 HG13 VAL A 160 10.179 2.300 7.935 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.766 4.198 7.720 1.00 0.34 H new ATOM 0 HG22 VAL A 160 8.173 2.993 6.476 1.00 0.34 H new ATOM 0 HG23 VAL A 160 6.553 2.999 7.212 1.00 0.34 H new ATOM 2508 N ARG A 161 7.677 -0.466 10.124 1.00 0.26 N ATOM 2509 CA ARG A 161 8.099 -1.343 11.207 1.00 0.28 C ATOM 2510 C ARG A 161 8.232 -2.780 10.715 1.00 0.23 C ATOM 2511 O ARG A 161 9.061 -3.542 11.219 1.00 0.23 O ATOM 2512 CB ARG A 161 7.129 -1.239 12.383 1.00 0.37 C ATOM 2513 CG ARG A 161 7.173 0.126 13.050 1.00 0.51 C ATOM 2514 CD ARG A 161 6.283 0.203 14.273 1.00 0.61 C ATOM 2515 NE ARG A 161 6.369 1.510 14.916 1.00 0.64 N ATOM 2516 CZ ARG A 161 5.324 2.273 15.217 1.00 0.76 C ATOM 2517 NH1 ARG A 161 4.091 1.861 14.943 1.00 0.82 N ATOM 2518 NH2 ARG A 161 5.514 3.442 15.799 1.00 0.90 N ATOM 0 H ARG A 161 6.731 -0.098 10.225 1.00 0.26 H new ATOM 0 HA ARG A 161 9.081 -1.024 11.555 1.00 0.28 H new ATOM 0 HB2 ARG A 161 6.116 -1.437 12.034 1.00 0.37 H new ATOM 0 HB3 ARG A 161 7.369 -2.008 13.118 1.00 0.37 H new ATOM 0 HG2 ARG A 161 8.200 0.354 13.337 1.00 0.51 H new ATOM 0 HG3 ARG A 161 6.866 0.887 12.333 1.00 0.51 H new ATOM 0 HD2 ARG A 161 5.250 0.005 13.986 1.00 0.61 H new ATOM 0 HD3 ARG A 161 6.571 -0.572 14.983 1.00 0.61 H new ATOM 0 HE ARG A 161 7.297 1.863 15.151 1.00 0.64 H new ATOM 0 HH11 ARG A 161 3.943 0.955 14.499 1.00 0.82 H new ATOM 0 HH12 ARG A 161 3.292 2.451 15.176 1.00 0.82 H new ATOM 0 HH21 ARG A 161 6.460 3.756 16.016 1.00 0.90 H new ATOM 0 HH22 ARG A 161 4.715 4.032 16.032 1.00 0.90 H new ATOM 2532 N GLU A 162 7.423 -3.143 9.725 1.00 0.22 N ATOM 2533 CA GLU A 162 7.489 -4.472 9.135 1.00 0.22 C ATOM 2534 C GLU A 162 8.816 -4.615 8.397 1.00 0.21 C ATOM 2535 O GLU A 162 9.504 -5.632 8.514 1.00 0.25 O ATOM 2536 CB GLU A 162 6.325 -4.697 8.166 1.00 0.25 C ATOM 2537 CG GLU A 162 4.975 -4.857 8.849 1.00 0.31 C ATOM 2538 CD GLU A 162 4.913 -6.084 9.739 1.00 0.52 C ATOM 2539 OE1 GLU A 162 4.995 -7.214 9.210 1.00 0.73 O ATOM 2540 OE2 GLU A 162 4.780 -5.927 10.971 1.00 0.68 O ATOM 0 H GLU A 162 6.714 -2.534 9.315 1.00 0.22 H new ATOM 0 HA GLU A 162 7.417 -5.219 9.925 1.00 0.22 H new ATOM 0 HB2 GLU A 162 6.274 -3.856 7.474 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.528 -5.587 7.571 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.766 -3.969 9.446 1.00 0.31 H new ATOM 0 HG3 GLU A 162 4.194 -4.923 8.091 1.00 0.31 H new ATOM 2547 N ILE A 163 9.170 -3.569 7.650 1.00 0.20 N ATOM 2548 CA ILE A 163 10.424 -3.537 6.905 1.00 0.23 C ATOM 2549 C ILE A 163 11.599 -3.654 7.866 1.00 0.22 C ATOM 2550 O ILE A 163 12.546 -4.401 7.615 1.00 0.22 O ATOM 2551 CB ILE A 163 10.565 -2.233 6.083 1.00 0.29 C ATOM 2552 CG1 ILE A 163 9.389 -2.079 5.121 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.886 -2.212 5.321 1.00 0.42 C ATOM 2554 CD1 ILE A 163 9.375 -0.759 4.377 1.00 0.31 C ATOM 0 H ILE A 163 8.601 -2.729 7.546 1.00 0.20 H new ATOM 0 HA ILE A 163 10.420 -4.379 6.213 1.00 0.23 H new ATOM 0 HB ILE A 163 10.559 -1.391 6.775 1.00 0.29 H new ATOM 0 HG12 ILE A 163 9.415 -2.893 4.397 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.459 -2.180 5.680 1.00 0.27 H new ATOM 0 HG21 ILE A 163 11.962 -1.286 4.751 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.714 -2.273 6.027 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.927 -3.062 4.640 1.00 0.42 H new ATOM 0 HD11 ILE A 163 8.511 -0.724 3.714 1.00 0.31 H new ATOM 0 HD12 ILE A 163 9.316 0.061 5.092 1.00 0.31 H new ATOM 0 HD13 ILE A 163 10.288 -0.663 3.789 1.00 0.31 H new ATOM 2566 N ARG A 164 11.520 -2.913 8.968 1.00 0.22 N ATOM 2567 CA ARG A 164 12.562 -2.926 9.991 1.00 0.23 C ATOM 2568 C ARG A 164 12.809 -4.343 10.494 1.00 0.23 C ATOM 2569 O ARG A 164 13.951 -4.801 10.551 1.00 0.25 O ATOM 2570 CB ARG A 164 12.167 -2.036 11.171 1.00 0.26 C ATOM 2571 CG ARG A 164 12.257 -0.546 10.891 1.00 0.33 C ATOM 2572 CD ARG A 164 11.861 0.261 12.118 1.00 0.42 C ATOM 2573 NE ARG A 164 12.175 1.681 11.973 1.00 0.55 N ATOM 2574 CZ ARG A 164 11.575 2.651 12.658 1.00 0.66 C ATOM 2575 NH1 ARG A 164 10.621 2.355 13.542 1.00 0.69 N ATOM 2576 NH2 ARG A 164 11.935 3.914 12.467 1.00 0.87 N ATOM 0 H ARG A 164 10.739 -2.291 9.176 1.00 0.22 H new ATOM 0 HA ARG A 164 13.476 -2.543 9.538 1.00 0.23 H new ATOM 0 HB2 ARG A 164 11.146 -2.277 11.466 1.00 0.26 H new ATOM 0 HB3 ARG A 164 12.808 -2.273 12.020 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.274 -0.288 10.594 1.00 0.33 H new ATOM 0 HG3 ARG A 164 11.606 -0.289 10.056 1.00 0.33 H new ATOM 0 HD2 ARG A 164 10.792 0.144 12.298 1.00 0.42 H new ATOM 0 HD3 ARG A 164 12.377 -0.135 12.993 1.00 0.42 H new ATOM 0 HE ARG A 164 12.899 1.945 11.305 1.00 0.55 H new ATOM 0 HH11 ARG A 164 10.350 1.383 13.694 1.00 0.69 H new ATOM 0 HH12 ARG A 164 10.162 3.100 14.066 1.00 0.69 H new ATOM 0 HH21 ARG A 164 12.670 4.139 11.796 1.00 0.87 H new ATOM 0 HH22 ARG A 164 11.477 4.660 12.991 1.00 0.87 H new ATOM 2590 N LYS A 165 11.726 -5.038 10.829 1.00 0.27 N ATOM 2591 CA LYS A 165 11.809 -6.402 11.344 1.00 0.32 C ATOM 2592 C LYS A 165 12.439 -7.343 10.322 1.00 0.31 C ATOM 2593 O LYS A 165 13.153 -8.273 10.685 1.00 0.33 O ATOM 2594 CB LYS A 165 10.420 -6.918 11.723 1.00 0.43 C ATOM 2595 CG LYS A 165 9.815 -6.227 12.932 1.00 0.87 C ATOM 2596 CD LYS A 165 8.515 -6.888 13.362 1.00 0.97 C ATOM 2597 CE LYS A 165 7.517 -6.946 12.220 1.00 0.74 C ATOM 2598 NZ LYS A 165 6.200 -7.470 12.656 1.00 0.80 N ATOM 0 H LYS A 165 10.775 -4.677 10.753 1.00 0.27 H new ATOM 0 HA LYS A 165 12.441 -6.379 12.232 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.751 -6.791 10.872 1.00 0.43 H new ATOM 0 HB3 LYS A 165 10.483 -7.988 11.922 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.526 -6.249 13.758 1.00 0.87 H new ATOM 0 HG3 LYS A 165 9.631 -5.178 12.698 1.00 0.87 H new ATOM 0 HD2 LYS A 165 8.720 -7.897 13.720 1.00 0.97 H new ATOM 0 HD3 LYS A 165 8.083 -6.335 14.196 1.00 0.97 H new ATOM 0 HE2 LYS A 165 7.389 -5.948 11.800 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.913 -7.578 11.425 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.442 -6.887 12.247 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 6.093 -8.453 12.334 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 6.140 -7.438 13.694 1.00 0.80 H new ATOM 2612 N HIS A 166 12.169 -7.088 9.047 1.00 0.31 N ATOM 2613 CA HIS A 166 12.705 -7.908 7.965 1.00 0.32 C ATOM 2614 C HIS A 166 14.202 -7.653 7.799 1.00 0.29 C ATOM 2615 O HIS A 166 14.965 -8.567 7.490 1.00 0.34 O ATOM 2616 CB HIS A 166 11.964 -7.608 6.654 1.00 0.37 C ATOM 2617 CG HIS A 166 12.420 -8.428 5.482 1.00 0.46 C ATOM 2618 ND1 HIS A 166 11.851 -9.634 5.136 1.00 0.60 N ATOM 2619 CD2 HIS A 166 13.387 -8.192 4.565 1.00 0.54 C ATOM 2620 CE1 HIS A 166 12.448 -10.103 4.056 1.00 0.71 C ATOM 2621 NE2 HIS A 166 13.380 -9.245 3.690 1.00 0.67 N ATOM 0 H HIS A 166 11.579 -6.316 8.735 1.00 0.31 H new ATOM 0 HA HIS A 166 12.557 -8.958 8.216 1.00 0.32 H new ATOM 0 HB2 HIS A 166 10.898 -7.776 6.807 1.00 0.37 H new ATOM 0 HB3 HIS A 166 12.089 -6.552 6.414 1.00 0.37 H new ATOM 0 HD1 HIS A 166 11.089 -10.092 5.635 1.00 0.60 H new ATOM 0 HD2 HIS A 166 14.042 -7.334 4.530 1.00 0.54 H new ATOM 0 HE1 HIS A 166 12.213 -11.032 3.557 1.00 0.71 H new ATOM 2630 N LYS A 167 14.607 -6.407 8.002 1.00 0.27 N ATOM 2631 CA LYS A 167 16.008 -6.021 7.877 1.00 0.30 C ATOM 2632 C LYS A 167 16.844 -6.615 9.006 1.00 0.29 C ATOM 2633 O LYS A 167 17.992 -7.017 8.803 1.00 0.40 O ATOM 2634 CB LYS A 167 16.131 -4.493 7.879 1.00 0.37 C ATOM 2635 CG LYS A 167 15.572 -3.830 6.628 1.00 0.45 C ATOM 2636 CD LYS A 167 15.377 -2.333 6.826 1.00 0.62 C ATOM 2637 CE LYS A 167 16.703 -1.588 6.903 1.00 1.11 C ATOM 2638 NZ LYS A 167 17.344 -1.455 5.569 1.00 0.97 N ATOM 0 H LYS A 167 13.982 -5.642 8.255 1.00 0.27 H new ATOM 0 HA LYS A 167 16.387 -6.412 6.933 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.612 -4.097 8.752 1.00 0.37 H new ATOM 0 HB3 LYS A 167 17.182 -4.223 7.984 1.00 0.37 H new ATOM 0 HG2 LYS A 167 16.249 -4.002 5.791 1.00 0.45 H new ATOM 0 HG3 LYS A 167 14.619 -4.290 6.367 1.00 0.45 H new ATOM 0 HD2 LYS A 167 14.784 -1.933 6.003 1.00 0.62 H new ATOM 0 HD3 LYS A 167 14.810 -2.159 7.741 1.00 0.62 H new ATOM 0 HE2 LYS A 167 16.538 -0.597 7.327 1.00 1.11 H new ATOM 0 HE3 LYS A 167 17.377 -2.115 7.578 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 18.209 -0.884 5.655 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 17.587 -2.398 5.205 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 16.686 -0.989 4.912 1.00 0.97 H new ATOM 2652 N GLU A 168 16.262 -6.674 10.195 1.00 0.26 N ATOM 2653 CA GLU A 168 16.952 -7.218 11.355 1.00 0.29 C ATOM 2654 C GLU A 168 16.512 -8.652 11.632 1.00 0.33 C ATOM 2655 O GLU A 168 16.677 -9.160 12.745 1.00 0.47 O ATOM 2656 CB GLU A 168 16.701 -6.336 12.580 1.00 0.35 C ATOM 2657 CG GLU A 168 15.237 -6.255 12.995 1.00 0.42 C ATOM 2658 CD GLU A 168 15.048 -5.612 14.347 1.00 0.63 C ATOM 2659 OE1 GLU A 168 14.795 -6.344 15.328 1.00 0.94 O ATOM 2660 OE2 GLU A 168 15.152 -4.373 14.440 1.00 1.12 O ATOM 0 H GLU A 168 15.313 -6.351 10.382 1.00 0.26 H new ATOM 0 HA GLU A 168 18.021 -7.230 11.142 1.00 0.29 H new ATOM 0 HB2 GLU A 168 17.285 -6.719 13.417 1.00 0.35 H new ATOM 0 HB3 GLU A 168 17.065 -5.330 12.372 1.00 0.35 H new ATOM 0 HG2 GLU A 168 14.683 -5.688 12.247 1.00 0.42 H new ATOM 0 HG3 GLU A 168 14.813 -7.259 13.013 1.00 0.42 H new ATOM 2667 N LYS A 169 15.949 -9.305 10.621 1.00 0.34 N ATOM 2668 CA LYS A 169 15.503 -10.681 10.767 1.00 0.41 C ATOM 2669 C LYS A 169 16.698 -11.619 10.668 1.00 0.59 C ATOM 2670 O LYS A 169 17.311 -11.694 9.582 1.00 0.72 O ATOM 2671 CB LYS A 169 14.453 -11.041 9.708 1.00 0.43 C ATOM 2672 CG LYS A 169 13.112 -11.443 10.304 1.00 0.69 C ATOM 2673 CD LYS A 169 12.201 -12.061 9.255 1.00 0.81 C ATOM 2674 CE LYS A 169 10.964 -12.692 9.879 1.00 1.07 C ATOM 2675 NZ LYS A 169 9.978 -11.673 10.319 1.00 1.47 N ATOM 2676 OXT LYS A 169 17.041 -12.254 11.685 1.00 0.82 O ATOM 0 H LYS A 169 15.792 -8.904 9.696 1.00 0.34 H new ATOM 0 HA LYS A 169 15.037 -10.790 11.746 1.00 0.41 H new ATOM 0 HB2 LYS A 169 14.307 -10.188 9.046 1.00 0.43 H new ATOM 0 HB3 LYS A 169 14.831 -11.859 9.095 1.00 0.43 H new ATOM 0 HG2 LYS A 169 13.271 -12.154 11.114 1.00 0.69 H new ATOM 0 HG3 LYS A 169 12.628 -10.568 10.738 1.00 0.69 H new ATOM 0 HD2 LYS A 169 11.897 -11.295 8.541 1.00 0.81 H new ATOM 0 HD3 LYS A 169 12.752 -12.817 8.696 1.00 0.81 H new ATOM 0 HE2 LYS A 169 10.496 -13.361 9.157 1.00 1.07 H new ATOM 0 HE3 LYS A 169 11.260 -13.302 10.733 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 9.152 -12.147 10.738 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 10.415 -11.050 11.027 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 9.675 -11.107 9.501 1.00 1.47 H new TER 2690 LYS A 169 HETATM 2691 PB GDP A 201 -6.674 4.963 -6.890 1.00 0.41 P HETATM 2692 O1B GDP A 201 -7.057 5.268 -8.287 1.00 0.45 O HETATM 2693 O2B GDP A 201 -6.830 3.579 -6.393 1.00 0.53 O HETATM 2694 O3B GDP A 201 -5.139 5.406 -6.694 1.00 0.37 O HETATM 2695 O3A GDP A 201 -7.452 5.960 -5.894 1.00 0.46 O HETATM 2696 PA GDP A 201 -7.757 7.482 -6.317 1.00 0.42 P HETATM 2697 O1A GDP A 201 -7.617 7.606 -7.786 1.00 0.42 O HETATM 2698 O2A GDP A 201 -6.939 8.356 -5.449 1.00 0.45 O HETATM 2699 O5' GDP A 201 -9.307 7.652 -5.919 1.00 0.44 O HETATM 2700 C5' GDP A 201 -10.334 7.379 -6.875 1.00 0.50 C HETATM 2701 C4' GDP A 201 -11.689 7.844 -6.336 1.00 0.48 C HETATM 2702 O4' GDP A 201 -11.903 7.239 -5.047 1.00 0.46 O HETATM 2703 C3' GDP A 201 -11.675 9.345 -6.096 1.00 0.43 C HETATM 2704 O3' GDP A 201 -13.007 9.877 -6.125 1.00 0.47 O HETATM 2705 C2' GDP A 201 -11.103 9.396 -4.694 1.00 0.34 C HETATM 2706 O2' GDP A 201 -11.370 10.662 -4.078 1.00 0.33 O HETATM 2707 C1' GDP A 201 -11.949 8.298 -4.074 1.00 0.36 C HETATM 2708 N9 GDP A 201 -11.433 7.859 -2.759 1.00 0.31 N HETATM 2709 C8 GDP A 201 -10.187 7.463 -2.514 1.00 0.29 C HETATM 2710 N7 GDP A 201 -10.134 7.054 -1.249 1.00 0.28 N HETATM 2711 C5 GDP A 201 -11.342 7.198 -0.715 1.00 0.28 C HETATM 2712 C6 GDP A 201 -11.797 6.911 0.504 1.00 0.31 C HETATM 2713 O6 GDP A 201 -11.045 6.457 1.363 1.00 0.34 O HETATM 2714 N1 GDP A 201 -13.147 7.127 0.800 1.00 0.38 N HETATM 2715 C2 GDP A 201 -13.975 7.647 -0.199 1.00 0.42 C HETATM 2716 N2 GDP A 201 -15.261 7.877 0.044 1.00 0.54 N HETATM 2717 N3 GDP A 201 -13.449 7.921 -1.403 1.00 0.38 N HETATM 2718 C4 GDP A 201 -12.149 7.697 -1.649 1.00 0.31 C HETATM 0 HO3' GDP A 201 -13.122 10.512 -5.388 1.00 0.47 H new HETATM 0 HO2' GDP A 201 -11.131 10.621 -3.129 1.00 0.33 H new HETATM 0 HN22 GDP A 201 -15.859 8.257 -0.690 1.00 0.54 H new HETATM 0 HN21 GDP A 201 -15.650 7.674 0.965 1.00 0.54 H new HETATM 0 H5'' GDP A 201 -10.113 7.887 -7.813 1.00 0.50 H new HETATM 0 HN1 GDP A 201 -13.519 6.910 1.725 1.00 0.38 H new HETATM 0 H8 GDP A 201 -9.358 7.472 -3.222 1.00 0.29 H new HETATM 0 H5' GDP A 201 -10.366 6.311 -7.091 1.00 0.50 H new HETATM 0 H4' GDP A 201 -12.458 7.572 -7.059 1.00 0.48 H new HETATM 0 H3' GDP A 201 -11.120 9.922 -6.836 1.00 0.43 H new HETATM 0 H2' GDP A 201 -10.023 9.274 -4.610 1.00 0.34 H new HETATM 0 H1' GDP A 201 -12.964 8.633 -3.862 1.00 0.36 H new HETATM 2731 MG MG A 202 -2.743 6.548 -7.631 1.00 0.45 MG HETATM 2732 C5 QPD A 203 10.142 1.201 -5.077 1.00 0.58 C HETATM 2733 O2 QPD A 203 8.619 6.094 -11.052 1.00 1.67 O HETATM 2734 C16 QPD A 203 9.337 2.659 -14.626 1.00 1.69 C HETATM 2735 C14 QPD A 203 9.946 3.652 -12.517 1.00 0.73 C HETATM 2736 C8 QPD A 203 10.409 3.716 -8.603 1.00 0.50 C HETATM 2737 C4 QPD A 203 10.413 1.918 -6.237 1.00 0.55 C HETATM 2738 N1 QPD A 203 8.968 4.992 -5.817 1.00 0.28 N HETATM 2739 C3 QPD A 203 10.129 4.053 -7.347 1.00 0.44 C HETATM 2740 O1 QPD A 203 10.553 2.540 -8.930 1.00 0.68 O HETATM 2741 C2 QPD A 203 9.500 5.177 -7.023 1.00 0.36 C HETATM 2742 C7 QPD A 203 8.977 3.126 -4.276 1.00 0.37 C HETATM 2743 C12 QPD A 203 8.454 4.877 -11.119 1.00 1.47 C HETATM 2744 C18 QPD A 203 11.431 3.827 -14.403 1.00 1.59 C HETATM 2745 C6 QPD A 203 9.415 1.823 -4.072 1.00 0.50 C HETATM 2746 C11 QPD A 203 9.648 3.921 -11.185 1.00 0.91 C HETATM 2747 C15 QPD A 203 9.047 2.930 -13.294 1.00 1.28 C HETATM 2748 C17 QPD A 203 10.530 3.107 -15.180 1.00 1.84 C HETATM 2749 C19 QPD A 203 11.139 4.099 -13.072 1.00 0.95 C HETATM 2750 C4A QPD A 203 9.976 3.168 -6.368 1.00 0.40 C HETATM 2751 C7A QPD A 203 9.265 3.760 -5.411 1.00 0.29 C HETATM 2752 N9 QPD A 203 10.566 4.754 -9.437 1.00 0.60 N HETATM 2753 N10 QPD A 203 10.806 4.524 -10.506 1.00 0.74 N HETATM 2754 N13 QPD A 203 7.262 4.285 -11.102 1.00 2.26 N