USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -45:sc= 0.103 USER MOD Single : A 16 ASN : amide:sc= -0.51 K(o=-0.51,f=-3.1!) USER MOD Single : A 24 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0917 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -53:sc= 0.147 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 150:sc= 0.0133 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 76 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.6!) USER MOD Single : A 77 TYR OH : rot -105:sc= 3.33 USER MOD Single : A 82 TYR OH : rot -164:sc= -2.71! USER MOD Single : A 84 THR OG1 : rot -65:sc= 1.11 USER MOD Single : A 86 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0634) USER MOD Single : A 90 ASN : amide:sc= -0.738 X(o=-0.74,f=-0.36) USER MOD Single : A 93 THR OG1 : rot 9:sc= 0.00195 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -38:sc= -4.61! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 110 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.026) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -4.714 5.259 12.996 1.00 1.37 N ATOM 40 CA GLU A 4 -4.540 3.900 13.586 1.00 1.14 C ATOM 41 C GLU A 4 -3.752 3.010 12.620 1.00 0.89 C ATOM 42 O GLU A 4 -3.747 3.229 11.426 1.00 1.30 O ATOM 43 CB GLU A 4 -5.960 3.364 13.772 1.00 1.67 C ATOM 44 CG GLU A 4 -5.907 1.998 14.459 1.00 2.39 C ATOM 45 CD GLU A 4 -6.315 0.910 13.464 1.00 2.65 C ATOM 46 OE1 GLU A 4 -5.476 0.512 12.674 1.00 3.09 O ATOM 47 OE2 GLU A 4 -7.461 0.494 13.508 1.00 3.05 O ATOM 0 HA GLU A 4 -3.988 3.921 14.526 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.547 4.061 14.370 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.456 3.277 12.805 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -4.901 1.806 14.832 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.574 1.986 15.321 1.00 2.39 H new ATOM 54 N GLU A 5 -3.085 2.008 13.126 1.00 1.00 N ATOM 55 CA GLU A 5 -2.300 1.110 12.227 1.00 0.81 C ATOM 56 C GLU A 5 -2.582 -0.355 12.549 1.00 0.87 C ATOM 57 O GLU A 5 -3.284 -0.677 13.488 1.00 1.15 O ATOM 58 CB GLU A 5 -0.823 1.429 12.486 1.00 0.95 C ATOM 59 CG GLU A 5 -0.546 1.483 13.993 1.00 1.46 C ATOM 60 CD GLU A 5 0.930 1.809 14.228 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.737 0.898 14.144 1.00 2.50 O ATOM 62 OE2 GLU A 5 1.228 2.963 14.487 1.00 2.19 O ATOM 0 H GLU A 5 -3.049 1.772 14.118 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.569 1.270 11.183 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.193 0.671 12.021 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.564 2.383 12.027 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.176 2.239 14.463 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.797 0.528 14.454 1.00 1.46 H new ATOM 69 N GLU A 6 -2.037 -1.243 11.768 1.00 0.79 N ATOM 70 CA GLU A 6 -2.262 -2.694 12.004 1.00 1.04 C ATOM 71 C GLU A 6 -0.989 -3.486 11.693 1.00 1.10 C ATOM 72 O GLU A 6 -0.463 -3.427 10.602 1.00 1.76 O ATOM 73 CB GLU A 6 -3.370 -3.069 11.027 1.00 1.28 C ATOM 74 CG GLU A 6 -4.723 -2.982 11.733 1.00 1.68 C ATOM 75 CD GLU A 6 -5.676 -4.023 11.145 1.00 1.97 C ATOM 76 OE1 GLU A 6 -5.322 -5.192 11.152 1.00 2.24 O ATOM 77 OE2 GLU A 6 -6.743 -3.636 10.697 1.00 2.63 O ATOM 0 H GLU A 6 -1.441 -1.024 10.970 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.526 -2.913 13.039 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.353 -2.400 10.167 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.210 -4.079 10.649 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.598 -3.152 12.802 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -5.142 -1.983 11.615 1.00 1.68 H new ATOM 84 N ASP A 7 -0.488 -4.230 12.640 1.00 1.27 N ATOM 85 CA ASP A 7 0.749 -5.026 12.387 1.00 1.35 C ATOM 86 C ASP A 7 1.852 -4.134 11.806 1.00 1.28 C ATOM 87 O ASP A 7 2.448 -4.445 10.795 1.00 2.01 O ATOM 88 CB ASP A 7 0.333 -6.089 11.371 1.00 1.53 C ATOM 89 CG ASP A 7 -0.484 -7.175 12.076 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.069 -7.842 12.933 1.00 2.36 O ATOM 91 OD2 ASP A 7 -1.650 -7.318 11.745 1.00 2.57 O ATOM 0 H ASP A 7 -0.880 -4.322 13.577 1.00 1.27 H new ATOM 0 HA ASP A 7 1.148 -5.465 13.302 1.00 1.35 H new ATOM 0 HB2 ASP A 7 -0.256 -5.635 10.574 1.00 1.53 H new ATOM 0 HB3 ASP A 7 1.215 -6.527 10.905 1.00 1.53 H new ATOM 96 N HIS A 8 2.126 -3.025 12.441 1.00 1.21 N ATOM 97 CA HIS A 8 3.191 -2.100 11.939 1.00 1.11 C ATOM 98 C HIS A 8 2.846 -1.573 10.538 1.00 0.81 C ATOM 99 O HIS A 8 3.680 -1.003 9.862 1.00 0.87 O ATOM 100 CB HIS A 8 4.476 -2.933 11.900 1.00 1.32 C ATOM 101 CG HIS A 8 5.641 -2.074 12.311 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.525 -1.538 11.390 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.078 -1.648 13.542 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.441 -0.827 12.072 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.215 -0.860 13.388 1.00 2.33 N ATOM 0 H HIS A 8 1.656 -2.716 13.292 1.00 1.21 H new ATOM 0 HA HIS A 8 3.295 -1.226 12.582 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.388 -3.789 12.568 1.00 1.32 H new ATOM 0 HB3 HIS A 8 4.637 -3.327 10.897 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.610 -1.888 14.485 1.00 2.02 H new ATOM 0 HE1 HIS A 8 8.260 -0.294 11.611 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.758 -0.406 14.122 1.00 2.33 H new ATOM 113 N VAL A 9 1.625 -1.739 10.102 1.00 0.69 N ATOM 114 CA VAL A 9 1.239 -1.227 8.754 1.00 0.49 C ATOM 115 C VAL A 9 0.179 -0.135 8.912 1.00 0.41 C ATOM 116 O VAL A 9 -0.408 0.020 9.964 1.00 0.54 O ATOM 117 CB VAL A 9 0.666 -2.431 8.003 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.219 -1.997 6.607 1.00 0.88 C ATOM 119 CG2 VAL A 9 1.741 -3.513 7.880 1.00 0.89 C ATOM 0 H VAL A 9 0.880 -2.206 10.619 1.00 0.69 H new ATOM 0 HA VAL A 9 2.082 -0.793 8.216 1.00 0.49 H new ATOM 0 HB VAL A 9 -0.189 -2.827 8.551 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.189 -2.855 6.073 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.546 -1.226 6.693 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.073 -1.600 6.058 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.334 -4.371 7.345 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.596 -3.116 7.332 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.060 -3.824 8.875 1.00 0.89 H new ATOM 129 N LEU A 10 -0.067 0.634 7.888 1.00 0.41 N ATOM 130 CA LEU A 10 -1.084 1.717 8.012 1.00 0.54 C ATOM 131 C LEU A 10 -2.402 1.310 7.350 1.00 0.42 C ATOM 132 O LEU A 10 -2.423 0.681 6.313 1.00 0.59 O ATOM 133 CB LEU A 10 -0.475 2.918 7.290 1.00 0.83 C ATOM 134 CG LEU A 10 -0.512 4.138 8.212 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.961 4.441 8.600 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.304 3.847 9.474 1.00 1.49 C ATOM 0 H LEU A 10 0.387 0.561 6.978 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.315 1.935 9.055 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.553 2.699 7.000 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -1.028 3.124 6.374 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.088 4.998 7.694 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.988 5.310 9.257 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.543 4.647 7.702 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -2.386 3.581 9.118 1.00 1.30 H new ATOM 0 HD21 LEU A 10 0.279 4.716 10.132 1.00 1.49 H new ATOM 0 HD22 LEU A 10 -0.121 2.987 9.992 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.336 3.631 9.198 1.00 1.49 H new ATOM 148 N VAL A 11 -3.505 1.685 7.934 1.00 0.54 N ATOM 149 CA VAL A 11 -4.821 1.342 7.325 1.00 0.46 C ATOM 150 C VAL A 11 -5.393 2.586 6.643 1.00 0.43 C ATOM 151 O VAL A 11 -5.308 3.682 7.160 1.00 0.54 O ATOM 152 CB VAL A 11 -5.713 0.881 8.487 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.718 1.935 9.597 1.00 1.39 C ATOM 154 CG2 VAL A 11 -7.141 0.669 7.982 1.00 1.04 C ATOM 0 H VAL A 11 -3.553 2.213 8.805 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.746 0.561 6.569 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.321 -0.055 8.885 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.354 1.598 10.416 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.702 2.083 9.963 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -6.102 2.876 9.203 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.774 0.342 8.807 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.527 1.605 7.578 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -7.142 -0.091 7.201 1.00 1.04 H new ATOM 164 N LEU A 12 -5.952 2.437 5.476 1.00 0.40 N ATOM 165 CA LEU A 12 -6.501 3.627 4.767 1.00 0.45 C ATOM 166 C LEU A 12 -8.022 3.538 4.659 1.00 0.44 C ATOM 167 O LEU A 12 -8.598 2.469 4.677 1.00 0.58 O ATOM 168 CB LEU A 12 -5.864 3.586 3.378 1.00 0.63 C ATOM 169 CG LEU A 12 -5.153 4.912 3.100 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.087 5.157 4.170 1.00 0.82 C ATOM 171 CD2 LEU A 12 -4.489 4.855 1.723 1.00 1.16 C ATOM 0 H LEU A 12 -6.053 1.549 4.984 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.280 4.554 5.295 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.154 2.761 3.317 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.628 3.406 2.622 1.00 0.63 H new ATOM 0 HG LEU A 12 -5.880 5.724 3.121 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.582 6.102 3.970 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.559 5.198 5.151 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.360 4.345 4.151 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -3.982 5.799 1.524 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.763 4.042 1.702 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -5.248 4.683 0.960 1.00 1.16 H new ATOM 183 N ARG A 13 -8.674 4.660 4.535 1.00 0.47 N ATOM 184 CA ARG A 13 -10.158 4.645 4.413 1.00 0.55 C ATOM 185 C ARG A 13 -10.637 5.809 3.537 1.00 0.54 C ATOM 186 O ARG A 13 -9.889 6.361 2.756 1.00 0.73 O ATOM 187 CB ARG A 13 -10.693 4.763 5.848 1.00 0.69 C ATOM 188 CG ARG A 13 -10.359 6.135 6.441 1.00 1.19 C ATOM 189 CD ARG A 13 -11.584 6.672 7.186 1.00 1.28 C ATOM 190 NE ARG A 13 -11.054 7.166 8.487 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.861 7.706 9.360 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.497 8.808 9.067 1.00 2.68 N ATOM 193 NH2 ARG A 13 -12.031 7.146 10.526 1.00 2.84 N ATOM 0 H ARG A 13 -8.245 5.585 4.513 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.519 3.735 3.934 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.773 4.613 5.852 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.260 3.978 6.468 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.511 6.054 7.121 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -10.068 6.826 5.650 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.067 7.473 6.626 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.330 5.891 7.334 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.059 7.082 8.696 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.363 9.247 8.156 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -13.127 9.230 9.749 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -11.533 6.286 10.756 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -12.662 7.568 11.208 1.00 2.84 H new ATOM 207 N LYS A 14 -11.887 6.162 3.644 1.00 0.58 N ATOM 208 CA LYS A 14 -12.439 7.269 2.800 1.00 0.63 C ATOM 209 C LYS A 14 -11.762 8.620 3.091 1.00 0.65 C ATOM 210 O LYS A 14 -11.717 9.485 2.240 1.00 0.83 O ATOM 211 CB LYS A 14 -13.921 7.337 3.173 1.00 0.74 C ATOM 212 CG LYS A 14 -14.771 6.869 1.991 1.00 1.26 C ATOM 213 CD LYS A 14 -16.244 6.827 2.409 1.00 1.92 C ATOM 214 CE LYS A 14 -16.700 8.230 2.816 1.00 2.26 C ATOM 215 NZ LYS A 14 -18.140 8.078 3.163 1.00 2.80 N ATOM 0 H LYS A 14 -12.557 5.732 4.282 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.269 7.074 1.741 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.116 6.711 4.044 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.191 8.357 3.446 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.641 7.544 1.145 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.446 5.881 1.664 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.856 6.459 1.586 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.377 6.134 3.240 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.126 8.601 3.665 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.563 8.942 2.002 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.526 8.999 3.453 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -18.662 7.729 2.334 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.239 7.399 3.945 1.00 2.80 H new ATOM 229 N SER A 15 -11.264 8.829 4.281 1.00 0.68 N ATOM 230 CA SER A 15 -10.631 10.151 4.593 1.00 0.88 C ATOM 231 C SER A 15 -9.172 9.996 5.036 1.00 0.81 C ATOM 232 O SER A 15 -8.556 10.938 5.498 1.00 1.05 O ATOM 233 CB SER A 15 -11.469 10.716 5.737 1.00 1.10 C ATOM 234 OG SER A 15 -11.252 12.116 5.835 1.00 1.68 O ATOM 0 H SER A 15 -11.266 8.153 5.044 1.00 0.68 H new ATOM 0 HA SER A 15 -10.611 10.798 3.716 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.526 10.512 5.563 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.200 10.229 6.674 1.00 1.10 H new ATOM 0 HG SER A 15 -10.293 12.304 5.767 1.00 1.68 H new ATOM 240 N ASN A 16 -8.610 8.830 4.908 1.00 0.65 N ATOM 241 CA ASN A 16 -7.189 8.640 5.331 1.00 0.68 C ATOM 242 C ASN A 16 -6.278 8.557 4.106 1.00 0.55 C ATOM 243 O ASN A 16 -5.096 8.836 4.175 1.00 0.56 O ATOM 244 CB ASN A 16 -7.180 7.310 6.080 1.00 0.87 C ATOM 245 CG ASN A 16 -7.042 7.554 7.579 1.00 0.91 C ATOM 246 OD1 ASN A 16 -6.658 8.626 8.004 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.345 6.593 8.404 1.00 0.98 N ATOM 0 H ASN A 16 -9.067 8.000 4.531 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.828 9.466 5.945 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.100 6.763 5.876 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.356 6.690 5.727 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.260 6.739 9.410 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.667 5.695 8.044 1.00 0.98 H new ATOM 254 N PHE A 17 -6.818 8.164 2.989 1.00 0.55 N ATOM 255 CA PHE A 17 -5.993 8.044 1.755 1.00 0.51 C ATOM 256 C PHE A 17 -5.200 9.331 1.493 1.00 0.46 C ATOM 257 O PHE A 17 -3.988 9.351 1.582 1.00 0.52 O ATOM 258 CB PHE A 17 -7.004 7.792 0.637 1.00 0.56 C ATOM 259 CG PHE A 17 -6.274 7.376 -0.612 1.00 0.62 C ATOM 260 CD1 PHE A 17 -5.587 8.329 -1.371 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.282 6.035 -1.011 1.00 0.78 C ATOM 262 CE1 PHE A 17 -4.907 7.943 -2.530 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.603 5.647 -2.172 1.00 0.89 C ATOM 264 CZ PHE A 17 -4.916 6.601 -2.932 1.00 0.87 C ATOM 0 H PHE A 17 -7.802 7.919 2.876 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.254 7.246 1.833 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.708 7.015 0.936 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.586 8.694 0.448 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.582 9.364 -1.062 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.812 5.300 -0.424 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -4.375 8.679 -3.115 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.609 4.612 -2.481 1.00 0.89 H new ATOM 0 HZ PHE A 17 -4.393 6.302 -3.828 1.00 0.87 H new ATOM 274 N ALA A 18 -5.868 10.402 1.163 1.00 0.52 N ATOM 275 CA ALA A 18 -5.147 11.679 0.888 1.00 0.66 C ATOM 276 C ALA A 18 -4.238 12.042 2.064 1.00 0.59 C ATOM 277 O ALA A 18 -3.246 12.726 1.906 1.00 0.75 O ATOM 278 CB ALA A 18 -6.248 12.725 0.718 1.00 0.84 C ATOM 0 H ALA A 18 -6.883 10.449 1.072 1.00 0.52 H new ATOM 0 HA ALA A 18 -4.509 11.610 0.007 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -5.798 13.696 0.512 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -6.895 12.441 -0.112 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -6.838 12.785 1.633 1.00 0.84 H new ATOM 284 N GLU A 19 -4.570 11.593 3.241 1.00 0.46 N ATOM 285 CA GLU A 19 -3.729 11.914 4.429 1.00 0.49 C ATOM 286 C GLU A 19 -2.426 11.111 4.393 1.00 0.48 C ATOM 287 O GLU A 19 -1.343 11.662 4.378 1.00 0.56 O ATOM 288 CB GLU A 19 -4.577 11.498 5.628 1.00 0.55 C ATOM 289 CG GLU A 19 -3.891 11.951 6.920 1.00 0.69 C ATOM 290 CD GLU A 19 -3.942 13.477 7.016 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.001 13.996 7.329 1.00 1.66 O ATOM 292 OE2 GLU A 19 -2.921 14.100 6.776 1.00 1.78 O ATOM 0 H GLU A 19 -5.389 11.016 3.433 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.450 12.967 4.465 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.570 11.942 5.556 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.711 10.416 5.635 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -4.386 11.505 7.783 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.856 11.609 6.934 1.00 0.69 H new ATOM 299 N ALA A 20 -2.527 9.811 4.390 1.00 0.45 N ATOM 300 CA ALA A 20 -1.299 8.959 4.365 1.00 0.53 C ATOM 301 C ALA A 20 -0.340 9.417 3.264 1.00 0.57 C ATOM 302 O ALA A 20 0.860 9.451 3.450 1.00 0.71 O ATOM 303 CB ALA A 20 -1.807 7.547 4.083 1.00 0.57 C ATOM 0 H ALA A 20 -3.408 9.298 4.404 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.743 9.018 5.301 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.964 6.857 4.048 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.493 7.242 4.874 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.327 7.532 3.125 1.00 0.57 H new ATOM 309 N LEU A 21 -0.855 9.765 2.119 1.00 0.55 N ATOM 310 CA LEU A 21 0.036 10.216 1.011 1.00 0.69 C ATOM 311 C LEU A 21 0.855 11.428 1.453 1.00 0.75 C ATOM 312 O LEU A 21 2.044 11.511 1.213 1.00 0.92 O ATOM 313 CB LEU A 21 -0.905 10.592 -0.135 1.00 0.74 C ATOM 314 CG LEU A 21 -1.682 9.354 -0.597 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.534 9.713 -1.814 1.00 0.90 C ATOM 316 CD2 LEU A 21 -0.706 8.239 -0.977 1.00 1.44 C ATOM 0 H LEU A 21 -1.851 9.757 1.901 1.00 0.55 H new ATOM 0 HA LEU A 21 0.745 9.444 0.714 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -1.599 11.367 0.191 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.334 11.005 -0.966 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.324 9.011 0.215 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.087 8.833 -2.143 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.235 10.503 -1.547 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -1.888 10.059 -2.621 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.265 7.362 -1.304 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.060 8.581 -1.786 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.096 7.978 -0.112 1.00 1.44 H new ATOM 328 N ALA A 22 0.228 12.368 2.099 1.00 0.71 N ATOM 329 CA ALA A 22 0.965 13.579 2.562 1.00 0.85 C ATOM 330 C ALA A 22 1.772 13.272 3.832 1.00 0.89 C ATOM 331 O ALA A 22 2.517 14.101 4.316 1.00 1.08 O ATOM 332 CB ALA A 22 -0.121 14.614 2.856 1.00 1.00 C ATOM 0 H ALA A 22 -0.766 12.352 2.328 1.00 0.71 H new ATOM 0 HA ALA A 22 1.679 13.931 1.817 1.00 0.85 H new ATOM 0 HB1 ALA A 22 0.341 15.538 3.203 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -0.690 14.812 1.948 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -0.790 14.231 3.627 1.00 1.00 H new ATOM 338 N ALA A 23 1.630 12.093 4.380 1.00 0.86 N ATOM 339 CA ALA A 23 2.391 11.750 5.617 1.00 0.93 C ATOM 340 C ALA A 23 3.898 11.839 5.359 1.00 0.85 C ATOM 341 O ALA A 23 4.588 12.653 5.940 1.00 0.95 O ATOM 342 CB ALA A 23 1.988 10.312 5.944 1.00 1.05 C ATOM 0 H ALA A 23 1.022 11.355 4.025 1.00 0.86 H new ATOM 0 HA ALA A 23 2.171 12.433 6.437 1.00 0.93 H new ATOM 0 HB1 ALA A 23 2.507 9.984 6.845 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.911 10.264 6.108 1.00 1.05 H new ATOM 0 HB3 ALA A 23 2.258 9.661 5.113 1.00 1.05 H new ATOM 348 N HIS A 24 4.415 11.009 4.494 1.00 0.83 N ATOM 349 CA HIS A 24 5.880 11.051 4.207 1.00 0.84 C ATOM 350 C HIS A 24 6.127 11.316 2.714 1.00 0.82 C ATOM 351 O HIS A 24 6.288 12.445 2.297 1.00 1.30 O ATOM 352 CB HIS A 24 6.403 9.671 4.612 1.00 0.95 C ATOM 353 CG HIS A 24 6.316 9.518 6.106 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.153 9.115 6.743 1.00 1.80 N ATOM 355 CD2 HIS A 24 7.241 9.709 7.103 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.406 9.076 8.065 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.665 9.429 8.338 1.00 2.00 N ATOM 0 H HIS A 24 3.890 10.306 3.975 1.00 0.83 H new ATOM 0 HA HIS A 24 6.385 11.850 4.750 1.00 0.84 H new ATOM 0 HB2 HIS A 24 5.820 8.891 4.122 1.00 0.95 H new ATOM 0 HB3 HIS A 24 7.435 9.551 4.283 1.00 0.95 H new ATOM 0 HD2 HIS A 24 8.261 10.028 6.951 1.00 1.84 H new ATOM 0 HE1 HIS A 24 4.680 8.794 8.813 1.00 2.04 H new ATOM 0 HE2 HIS A 24 7.109 9.482 9.255 1.00 2.00 H new ATOM 365 N LYS A 25 6.157 10.289 1.908 1.00 0.72 N ATOM 366 CA LYS A 25 6.393 10.490 0.448 1.00 0.69 C ATOM 367 C LYS A 25 5.959 9.240 -0.325 1.00 0.59 C ATOM 368 O LYS A 25 4.950 9.239 -1.002 1.00 0.68 O ATOM 369 CB LYS A 25 7.901 10.724 0.317 1.00 0.81 C ATOM 370 CG LYS A 25 8.240 11.071 -1.134 1.00 1.20 C ATOM 371 CD LYS A 25 9.434 12.026 -1.164 1.00 1.51 C ATOM 372 CE LYS A 25 10.241 11.797 -2.445 1.00 2.06 C ATOM 373 NZ LYS A 25 11.176 12.953 -2.521 1.00 2.47 N ATOM 0 H LYS A 25 6.028 9.319 2.197 1.00 0.72 H new ATOM 0 HA LYS A 25 5.824 11.326 0.041 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.213 11.533 0.978 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.446 9.832 0.626 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.472 10.164 -1.691 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.380 11.532 -1.619 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.088 13.059 -1.120 1.00 1.51 H new ATOM 0 HD3 LYS A 25 10.065 11.863 -0.290 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.783 10.852 -2.407 1.00 2.06 H new ATOM 0 HE3 LYS A 25 9.591 11.756 -3.319 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 11.765 12.868 -3.374 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 10.631 13.838 -2.563 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.786 12.962 -1.679 1.00 2.47 H new ATOM 387 N TYR A 26 6.698 8.167 -0.217 1.00 0.52 N ATOM 388 CA TYR A 26 6.307 6.921 -0.933 1.00 0.48 C ATOM 389 C TYR A 26 5.222 6.200 -0.130 1.00 0.46 C ATOM 390 O TYR A 26 5.485 5.631 0.911 1.00 0.53 O ATOM 391 CB TYR A 26 7.580 6.073 -0.996 1.00 0.56 C ATOM 392 CG TYR A 26 8.575 6.704 -1.944 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.151 7.212 -3.180 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.927 6.778 -1.586 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.078 7.794 -4.053 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.854 7.360 -2.460 1.00 1.31 C ATOM 397 CZ TYR A 26 10.429 7.868 -3.693 1.00 1.08 C ATOM 398 OH TYR A 26 11.343 8.441 -4.554 1.00 1.33 O ATOM 0 H TYR A 26 7.553 8.101 0.335 1.00 0.52 H new ATOM 0 HA TYR A 26 5.909 7.116 -1.929 1.00 0.48 H new ATOM 0 HB2 TYR A 26 8.018 5.985 -0.002 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.338 5.063 -1.328 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.109 7.154 -3.459 1.00 0.75 H new ATOM 0 HD2 TYR A 26 10.255 6.386 -0.635 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.751 8.186 -5.005 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.896 7.417 -2.183 1.00 1.31 H new ATOM 0 HH TYR A 26 12.235 8.412 -4.150 1.00 1.33 H new ATOM 408 N LEU A 27 4.003 6.229 -0.592 1.00 0.46 N ATOM 409 CA LEU A 27 2.913 5.554 0.168 1.00 0.45 C ATOM 410 C LEU A 27 2.345 4.378 -0.618 1.00 0.40 C ATOM 411 O LEU A 27 2.147 4.446 -1.815 1.00 0.50 O ATOM 412 CB LEU A 27 1.846 6.627 0.372 1.00 0.51 C ATOM 413 CG LEU A 27 1.590 6.818 1.870 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.135 5.493 2.482 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.878 7.280 2.555 1.00 0.66 C ATOM 0 H LEU A 27 3.715 6.687 -1.457 1.00 0.46 H new ATOM 0 HA LEU A 27 3.273 5.147 1.113 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.171 7.567 -0.075 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.923 6.337 -0.131 1.00 0.51 H new ATOM 0 HG LEU A 27 0.814 7.570 2.012 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.953 5.628 3.548 1.00 1.93 H new ATOM 0 HD12 LEU A 27 0.217 5.164 1.996 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.911 4.741 2.339 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.695 7.416 3.621 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.655 6.529 2.413 1.00 0.66 H new ATOM 0 HD23 LEU A 27 3.203 8.225 2.120 1.00 0.66 H new ATOM 427 N LEU A 28 2.075 3.300 0.059 1.00 0.33 N ATOM 428 CA LEU A 28 1.511 2.104 -0.627 1.00 0.32 C ATOM 429 C LEU A 28 0.127 1.782 -0.064 1.00 0.29 C ATOM 430 O LEU A 28 -0.103 1.864 1.126 1.00 0.35 O ATOM 431 CB LEU A 28 2.494 0.969 -0.320 1.00 0.40 C ATOM 432 CG LEU A 28 2.840 0.208 -1.605 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.584 -0.481 -2.139 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.379 1.182 -2.655 1.00 0.73 C ATOM 0 H LEU A 28 2.221 3.194 1.063 1.00 0.33 H new ATOM 0 HA LEU A 28 1.392 2.259 -1.699 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.402 1.375 0.127 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.057 0.287 0.409 1.00 0.40 H new ATOM 0 HG LEU A 28 3.602 -0.540 -1.389 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.827 -1.023 -3.053 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.207 -1.180 -1.392 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.821 0.268 -2.353 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.623 0.636 -3.566 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.622 1.935 -2.875 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.276 1.670 -2.273 1.00 0.73 H new ATOM 446 N VAL A 29 -0.798 1.420 -0.908 1.00 0.32 N ATOM 447 CA VAL A 29 -2.165 1.098 -0.412 1.00 0.32 C ATOM 448 C VAL A 29 -2.644 -0.233 -0.994 1.00 0.34 C ATOM 449 O VAL A 29 -2.563 -0.470 -2.184 1.00 0.47 O ATOM 450 CB VAL A 29 -3.046 2.249 -0.896 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.460 2.070 -0.342 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.469 3.576 -0.400 1.00 0.77 C ATOM 0 H VAL A 29 -0.668 1.333 -1.916 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.195 0.994 0.673 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.078 2.252 -1.986 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.092 2.889 -0.685 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.871 1.123 -0.693 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.427 2.069 0.747 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.097 4.397 -0.745 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.439 3.575 0.690 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.459 3.702 -0.791 1.00 0.77 H new ATOM 462 N GLU A 30 -3.143 -1.103 -0.161 1.00 0.32 N ATOM 463 CA GLU A 30 -3.632 -2.421 -0.655 1.00 0.39 C ATOM 464 C GLU A 30 -5.143 -2.537 -0.432 1.00 0.36 C ATOM 465 O GLU A 30 -5.622 -2.490 0.683 1.00 0.42 O ATOM 466 CB GLU A 30 -2.875 -3.457 0.182 1.00 0.52 C ATOM 467 CG GLU A 30 -3.432 -4.858 -0.091 1.00 0.64 C ATOM 468 CD GLU A 30 -4.513 -4.778 -1.171 1.00 0.89 C ATOM 469 OE1 GLU A 30 -5.521 -4.136 -0.927 1.00 1.60 O ATOM 470 OE2 GLU A 30 -4.314 -5.360 -2.225 1.00 1.48 O ATOM 0 H GLU A 30 -3.234 -0.958 0.845 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.461 -2.559 -1.723 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.812 -3.426 -0.059 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.969 -3.219 1.242 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -2.630 -5.523 -0.413 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.848 -5.280 0.824 1.00 0.64 H new ATOM 477 N PHE A 31 -5.896 -2.686 -1.486 1.00 0.35 N ATOM 478 CA PHE A 31 -7.376 -2.802 -1.337 1.00 0.36 C ATOM 479 C PHE A 31 -7.798 -4.274 -1.360 1.00 0.39 C ATOM 480 O PHE A 31 -7.624 -4.960 -2.348 1.00 0.49 O ATOM 481 CB PHE A 31 -7.948 -2.069 -2.550 1.00 0.41 C ATOM 482 CG PHE A 31 -7.968 -0.582 -2.284 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.913 -0.043 -1.403 1.00 0.53 C ATOM 484 CD2 PHE A 31 -7.043 0.257 -2.918 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.934 1.334 -1.155 1.00 0.59 C ATOM 486 CE2 PHE A 31 -7.065 1.635 -2.669 1.00 0.52 C ATOM 487 CZ PHE A 31 -8.002 2.175 -1.796 1.00 0.53 C ATOM 0 H PHE A 31 -5.552 -2.733 -2.445 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.731 -2.383 -0.395 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.346 -2.282 -3.433 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -8.957 -2.424 -2.759 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.626 -0.690 -0.914 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.314 -0.158 -3.598 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -9.662 1.751 -0.475 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -6.351 2.281 -3.158 1.00 0.52 H new ATOM 0 HZ PHE A 31 -8.016 3.239 -1.609 1.00 0.53 H new ATOM 497 N TYR A 32 -8.353 -4.769 -0.287 1.00 0.37 N ATOM 498 CA TYR A 32 -8.781 -6.198 -0.275 1.00 0.44 C ATOM 499 C TYR A 32 -9.907 -6.419 0.744 1.00 0.40 C ATOM 500 O TYR A 32 -10.314 -5.512 1.442 1.00 0.45 O ATOM 501 CB TYR A 32 -7.518 -6.991 0.098 1.00 0.54 C ATOM 502 CG TYR A 32 -7.187 -6.803 1.563 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.822 -5.540 2.046 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.249 -7.895 2.436 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.520 -5.372 3.403 1.00 0.67 C ATOM 506 CE2 TYR A 32 -6.947 -7.726 3.792 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.582 -6.464 4.276 1.00 0.77 C ATOM 508 OH TYR A 32 -6.284 -6.297 5.613 1.00 0.94 O ATOM 0 H TYR A 32 -8.528 -4.252 0.575 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.182 -6.517 -1.237 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.670 -8.049 -0.113 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.680 -6.661 -0.516 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.774 -4.697 1.373 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.530 -8.869 2.063 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.239 -4.398 3.776 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -6.996 -8.569 4.465 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.377 -7.154 6.078 1.00 0.94 H new ATOM 518 N ALA A 33 -10.409 -7.622 0.832 1.00 0.40 N ATOM 519 CA ALA A 33 -11.502 -7.905 1.804 1.00 0.44 C ATOM 520 C ALA A 33 -11.101 -9.069 2.720 1.00 0.53 C ATOM 521 O ALA A 33 -10.202 -9.822 2.400 1.00 0.56 O ATOM 522 CB ALA A 33 -12.707 -8.292 0.943 1.00 0.49 C ATOM 0 H ALA A 33 -10.109 -8.420 0.272 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.718 -7.051 2.446 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.557 -8.517 1.587 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.962 -7.465 0.281 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.461 -9.171 0.347 1.00 0.49 H new ATOM 528 N PRO A 34 -11.785 -9.185 3.829 1.00 0.63 N ATOM 529 CA PRO A 34 -11.489 -10.279 4.788 1.00 0.78 C ATOM 530 C PRO A 34 -11.908 -11.632 4.201 1.00 0.82 C ATOM 531 O PRO A 34 -11.491 -12.675 4.665 1.00 0.96 O ATOM 532 CB PRO A 34 -12.336 -9.926 6.009 1.00 0.90 C ATOM 533 CG PRO A 34 -13.447 -9.082 5.471 1.00 0.81 C ATOM 534 CD PRO A 34 -12.891 -8.333 4.292 1.00 0.66 C ATOM 0 HA PRO A 34 -10.429 -10.367 5.025 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.720 -10.822 6.497 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.752 -9.384 6.753 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.293 -9.701 5.172 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.811 -8.391 6.231 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.643 -8.195 3.515 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.540 -7.341 4.577 1.00 0.66 H new ATOM 542 N TRP A 35 -12.725 -11.624 3.181 1.00 0.74 N ATOM 543 CA TRP A 35 -13.163 -12.910 2.566 1.00 0.83 C ATOM 544 C TRP A 35 -12.507 -13.108 1.192 1.00 0.78 C ATOM 545 O TRP A 35 -12.755 -14.089 0.518 1.00 0.92 O ATOM 546 CB TRP A 35 -14.684 -12.791 2.426 1.00 0.91 C ATOM 547 CG TRP A 35 -15.021 -11.653 1.515 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.260 -10.383 1.915 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.164 -11.659 0.064 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.534 -9.607 0.802 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.489 -10.349 -0.362 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.044 -12.664 -0.913 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.687 -10.047 -1.708 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.243 -12.363 -2.270 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.564 -11.057 -2.667 1.00 2.26 C ATOM 0 H TRP A 35 -13.107 -10.783 2.748 1.00 0.74 H new ATOM 0 HA TRP A 35 -12.875 -13.768 3.173 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.096 -13.720 2.031 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.137 -12.632 3.404 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.240 -10.032 2.936 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.743 -8.609 0.837 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.797 -13.673 -0.618 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.934 -9.039 -2.008 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -15.148 -13.142 -3.012 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.716 -10.832 -3.712 1.00 2.26 H new ATOM 566 N CYS A 36 -11.665 -12.196 0.769 1.00 0.65 N ATOM 567 CA CYS A 36 -10.998 -12.352 -0.559 1.00 0.67 C ATOM 568 C CYS A 36 -10.380 -13.753 -0.679 1.00 0.84 C ATOM 569 O CYS A 36 -10.589 -14.453 -1.650 1.00 1.63 O ATOM 570 CB CYS A 36 -9.912 -11.271 -0.578 1.00 0.58 C ATOM 571 SG CYS A 36 -8.875 -11.453 -2.054 1.00 1.07 S ATOM 0 H CYS A 36 -11.412 -11.353 1.285 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.692 -12.245 -1.393 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.372 -10.283 -0.567 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.297 -11.347 0.319 1.00 0.58 H new ATOM 576 N GLY A 37 -9.621 -14.165 0.300 1.00 0.96 N ATOM 577 CA GLY A 37 -8.995 -15.515 0.241 1.00 1.08 C ATOM 578 C GLY A 37 -7.558 -15.392 -0.271 1.00 1.00 C ATOM 579 O GLY A 37 -6.609 -15.577 0.463 1.00 1.83 O ATOM 0 H GLY A 37 -9.408 -13.624 1.138 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.002 -15.974 1.230 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.572 -16.166 -0.416 1.00 1.08 H new ATOM 583 N HIS A 38 -7.392 -15.080 -1.527 1.00 0.89 N ATOM 584 CA HIS A 38 -6.015 -14.946 -2.085 1.00 0.97 C ATOM 585 C HIS A 38 -5.354 -13.650 -1.598 1.00 0.88 C ATOM 586 O HIS A 38 -4.187 -13.413 -1.844 1.00 1.13 O ATOM 587 CB HIS A 38 -6.207 -14.913 -3.601 1.00 1.32 C ATOM 588 CG HIS A 38 -5.909 -16.271 -4.176 1.00 1.72 C ATOM 589 ND1 HIS A 38 -6.741 -17.360 -3.970 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.874 -16.731 -4.953 1.00 2.35 C ATOM 591 CE1 HIS A 38 -6.198 -18.413 -4.609 1.00 2.85 C ATOM 592 NE2 HIS A 38 -5.059 -18.084 -5.224 1.00 2.87 N ATOM 0 H HIS A 38 -8.148 -14.912 -2.191 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.365 -15.762 -1.769 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.229 -14.621 -3.842 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.549 -14.166 -4.045 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -4.044 -16.134 -5.301 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -6.630 -19.403 -4.623 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -4.454 -18.694 -5.774 1.00 2.87 H new ATOM 600 N CYS A 39 -6.080 -12.811 -0.904 1.00 0.79 N ATOM 601 CA CYS A 39 -5.475 -11.543 -0.407 1.00 0.88 C ATOM 602 C CYS A 39 -4.738 -11.794 0.911 1.00 0.82 C ATOM 603 O CYS A 39 -3.898 -11.018 1.321 1.00 1.00 O ATOM 604 CB CYS A 39 -6.657 -10.599 -0.183 1.00 1.08 C ATOM 605 SG CYS A 39 -7.377 -10.133 -1.776 1.00 1.00 S ATOM 0 H CYS A 39 -7.061 -12.950 -0.662 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.750 -11.130 -1.108 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.409 -11.084 0.439 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.327 -9.709 0.352 1.00 1.08 H new ATOM 610 N LYS A 40 -5.052 -12.870 1.582 1.00 0.78 N ATOM 611 CA LYS A 40 -4.373 -13.164 2.876 1.00 0.94 C ATOM 612 C LYS A 40 -2.992 -13.777 2.627 1.00 0.84 C ATOM 613 O LYS A 40 -2.113 -13.709 3.463 1.00 0.94 O ATOM 614 CB LYS A 40 -5.286 -14.165 3.584 1.00 1.21 C ATOM 615 CG LYS A 40 -6.684 -13.562 3.744 1.00 1.56 C ATOM 616 CD LYS A 40 -7.700 -14.682 3.972 1.00 2.11 C ATOM 617 CE LYS A 40 -7.495 -15.283 5.363 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.094 -16.644 5.285 1.00 3.29 N ATOM 0 H LYS A 40 -5.748 -13.556 1.290 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.215 -12.265 3.471 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.342 -15.090 3.011 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -4.875 -14.420 4.561 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.698 -12.867 4.584 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -6.949 -12.991 2.854 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -8.714 -14.292 3.879 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.584 -15.453 3.211 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.437 -15.331 5.620 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -7.982 -14.680 6.129 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -7.992 -17.121 6.203 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -9.103 -16.566 5.045 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.606 -17.197 4.552 1.00 3.29 H new ATOM 632 N ALA A 41 -2.794 -14.380 1.486 1.00 0.77 N ATOM 633 CA ALA A 41 -1.470 -15.000 1.192 1.00 0.86 C ATOM 634 C ALA A 41 -0.378 -13.928 1.105 1.00 0.75 C ATOM 635 O ALA A 41 0.799 -14.224 1.168 1.00 0.90 O ATOM 636 CB ALA A 41 -1.649 -15.693 -0.160 1.00 0.93 C ATOM 0 H ALA A 41 -3.490 -14.470 0.746 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.163 -15.696 1.973 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.715 -16.175 -0.448 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.436 -16.443 -0.083 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.924 -14.955 -0.914 1.00 0.93 H new ATOM 642 N LEU A 42 -0.753 -12.685 0.959 1.00 0.65 N ATOM 643 CA LEU A 42 0.274 -11.605 0.867 1.00 0.67 C ATOM 644 C LEU A 42 0.093 -10.584 1.998 1.00 0.63 C ATOM 645 O LEU A 42 0.967 -9.783 2.265 1.00 0.70 O ATOM 646 CB LEU A 42 0.031 -10.947 -0.491 1.00 0.82 C ATOM 647 CG LEU A 42 1.370 -10.717 -1.191 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.586 -11.802 -2.249 1.00 1.37 C ATOM 649 CD2 LEU A 42 1.366 -9.342 -1.862 1.00 1.24 C ATOM 0 H LEU A 42 -1.722 -12.371 0.900 1.00 0.65 H new ATOM 0 HA LEU A 42 1.287 -11.996 0.961 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.609 -11.581 -1.105 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.491 -9.999 -0.360 1.00 0.82 H new ATOM 0 HG LEU A 42 2.175 -10.760 -0.458 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.541 -11.638 -2.748 1.00 1.37 H new ATOM 0 HD12 LEU A 42 1.590 -12.781 -1.770 1.00 1.37 H new ATOM 0 HD13 LEU A 42 0.781 -11.760 -2.983 1.00 1.37 H new ATOM 0 HD21 LEU A 42 2.321 -9.178 -2.361 1.00 1.24 H new ATOM 0 HD22 LEU A 42 0.561 -9.297 -2.595 1.00 1.24 H new ATOM 0 HD23 LEU A 42 1.213 -8.570 -1.108 1.00 1.24 H new ATOM 661 N ALA A 43 -1.032 -10.602 2.660 1.00 0.71 N ATOM 662 CA ALA A 43 -1.268 -9.629 3.766 1.00 0.73 C ATOM 663 C ALA A 43 -0.088 -9.619 4.749 1.00 0.67 C ATOM 664 O ALA A 43 0.427 -8.568 5.077 1.00 0.65 O ATOM 665 CB ALA A 43 -2.535 -10.124 4.462 1.00 0.88 C ATOM 0 H ALA A 43 -1.800 -11.250 2.483 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.370 -8.610 3.394 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.778 -9.460 5.291 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.361 -10.133 3.751 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -2.371 -11.133 4.841 1.00 0.88 H new ATOM 671 N PRO A 44 0.298 -10.788 5.202 1.00 0.69 N ATOM 672 CA PRO A 44 1.416 -10.887 6.169 1.00 0.70 C ATOM 673 C PRO A 44 2.777 -10.765 5.473 1.00 0.59 C ATOM 674 O PRO A 44 3.811 -10.906 6.096 1.00 0.65 O ATOM 675 CB PRO A 44 1.244 -12.274 6.777 1.00 0.83 C ATOM 676 CG PRO A 44 0.503 -13.070 5.745 1.00 0.84 C ATOM 677 CD PRO A 44 -0.272 -12.104 4.882 1.00 0.76 C ATOM 0 HA PRO A 44 1.395 -10.088 6.910 1.00 0.70 H new ATOM 0 HB2 PRO A 44 2.209 -12.726 7.004 1.00 0.83 H new ATOM 0 HB3 PRO A 44 0.686 -12.227 7.712 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.199 -13.650 5.138 1.00 0.84 H new ATOM 0 HG3 PRO A 44 -0.172 -13.780 6.223 1.00 0.84 H new ATOM 0 HD2 PRO A 44 -0.160 -12.339 3.824 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -1.338 -12.140 5.105 1.00 0.76 H new ATOM 685 N GLU A 45 2.795 -10.476 4.203 1.00 0.53 N ATOM 686 CA GLU A 45 4.085 -10.313 3.498 1.00 0.46 C ATOM 687 C GLU A 45 4.231 -8.837 3.176 1.00 0.41 C ATOM 688 O GLU A 45 5.214 -8.202 3.492 1.00 0.47 O ATOM 689 CB GLU A 45 3.951 -11.144 2.223 1.00 0.48 C ATOM 690 CG GLU A 45 3.663 -12.602 2.589 1.00 0.61 C ATOM 691 CD GLU A 45 2.150 -12.817 2.681 1.00 1.12 C ATOM 692 OE1 GLU A 45 1.435 -11.836 2.798 1.00 1.90 O ATOM 693 OE2 GLU A 45 1.731 -13.963 2.635 1.00 1.83 O ATOM 0 H GLU A 45 1.965 -10.346 3.624 1.00 0.53 H new ATOM 0 HA GLU A 45 4.954 -10.634 4.072 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.147 -10.749 1.602 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.868 -11.080 1.637 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.090 -13.267 1.839 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.135 -12.849 3.540 1.00 0.61 H new ATOM 700 N TYR A 46 3.217 -8.283 2.584 1.00 0.43 N ATOM 701 CA TYR A 46 3.235 -6.838 2.268 1.00 0.48 C ATOM 702 C TYR A 46 3.172 -6.040 3.583 1.00 0.52 C ATOM 703 O TYR A 46 3.511 -4.874 3.626 1.00 0.69 O ATOM 704 CB TYR A 46 1.979 -6.631 1.406 1.00 0.64 C ATOM 705 CG TYR A 46 1.609 -5.171 1.348 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.872 -4.604 2.391 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.999 -4.390 0.257 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.522 -3.248 2.342 1.00 1.39 C ATOM 709 CE2 TYR A 46 1.652 -3.036 0.207 1.00 1.38 C ATOM 710 CZ TYR A 46 0.913 -2.465 1.249 1.00 1.50 C ATOM 711 OH TYR A 46 0.569 -1.131 1.195 1.00 1.95 O ATOM 0 H TYR A 46 2.369 -8.776 2.304 1.00 0.43 H new ATOM 0 HA TYR A 46 4.132 -6.504 1.745 1.00 0.48 H new ATOM 0 HB2 TYR A 46 2.157 -7.007 0.398 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.150 -7.206 1.818 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.573 -5.210 3.233 1.00 1.03 H new ATOM 0 HD2 TYR A 46 2.568 -4.832 -0.547 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.049 -2.807 3.146 1.00 1.39 H new ATOM 0 HE2 TYR A 46 1.954 -2.432 -0.635 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.398 -1.037 1.327 1.00 1.95 H new ATOM 721 N ALA A 47 2.746 -6.663 4.657 1.00 0.53 N ATOM 722 CA ALA A 47 2.676 -5.937 5.957 1.00 0.62 C ATOM 723 C ALA A 47 4.061 -5.890 6.605 1.00 0.58 C ATOM 724 O ALA A 47 4.382 -4.981 7.345 1.00 0.68 O ATOM 725 CB ALA A 47 1.709 -6.754 6.814 1.00 0.73 C ATOM 0 H ALA A 47 2.446 -7.638 4.686 1.00 0.53 H new ATOM 0 HA ALA A 47 2.343 -4.906 5.840 1.00 0.62 H new ATOM 0 HB1 ALA A 47 1.603 -6.284 7.792 1.00 0.73 H new ATOM 0 HB2 ALA A 47 0.736 -6.797 6.324 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.098 -7.765 6.938 1.00 0.73 H new ATOM 731 N LYS A 48 4.885 -6.863 6.329 1.00 0.51 N ATOM 732 CA LYS A 48 6.252 -6.878 6.923 1.00 0.55 C ATOM 733 C LYS A 48 7.154 -5.881 6.191 1.00 0.53 C ATOM 734 O LYS A 48 8.140 -5.412 6.725 1.00 0.65 O ATOM 735 CB LYS A 48 6.755 -8.308 6.717 1.00 0.60 C ATOM 736 CG LYS A 48 7.074 -8.941 8.073 1.00 1.03 C ATOM 737 CD LYS A 48 5.973 -9.938 8.441 1.00 1.41 C ATOM 738 CE LYS A 48 6.544 -11.358 8.436 1.00 1.92 C ATOM 739 NZ LYS A 48 7.025 -11.584 9.827 1.00 2.47 N ATOM 0 H LYS A 48 4.670 -7.650 5.717 1.00 0.51 H new ATOM 0 HA LYS A 48 6.251 -6.594 7.975 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.000 -8.898 6.197 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.645 -8.304 6.088 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.039 -9.447 8.033 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.151 -8.169 8.838 1.00 1.03 H new ATOM 0 HD2 LYS A 48 5.568 -9.701 9.425 1.00 1.41 H new ATOM 0 HD3 LYS A 48 5.149 -9.864 7.731 1.00 1.41 H new ATOM 0 HE2 LYS A 48 5.784 -12.088 8.158 1.00 1.92 H new ATOM 0 HE3 LYS A 48 7.357 -11.454 7.717 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.431 -12.538 9.903 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 7.752 -10.879 10.062 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 6.228 -11.493 10.489 1.00 2.47 H new ATOM 753 N ALA A 49 6.819 -5.551 4.974 1.00 0.47 N ATOM 754 CA ALA A 49 7.655 -4.583 4.207 1.00 0.50 C ATOM 755 C ALA A 49 7.769 -3.262 4.972 1.00 0.53 C ATOM 756 O ALA A 49 8.717 -2.519 4.810 1.00 0.65 O ATOM 757 CB ALA A 49 6.911 -4.375 2.888 1.00 0.55 C ATOM 0 H ALA A 49 6.003 -5.909 4.477 1.00 0.47 H new ATOM 0 HA ALA A 49 8.670 -4.948 4.049 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.464 -3.672 2.265 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.820 -5.328 2.367 1.00 0.55 H new ATOM 0 HB3 ALA A 49 5.917 -3.976 3.090 1.00 0.55 H new ATOM 763 N ALA A 50 6.810 -2.964 5.805 1.00 0.54 N ATOM 764 CA ALA A 50 6.864 -1.691 6.579 1.00 0.65 C ATOM 765 C ALA A 50 8.003 -1.742 7.603 1.00 0.65 C ATOM 766 O ALA A 50 8.477 -0.726 8.069 1.00 0.77 O ATOM 767 CB ALA A 50 5.511 -1.600 7.284 1.00 0.76 C ATOM 0 H ALA A 50 5.992 -3.546 5.983 1.00 0.54 H new ATOM 0 HA ALA A 50 7.050 -0.827 5.942 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.471 -0.687 7.877 1.00 0.76 H new ATOM 0 HB2 ALA A 50 4.714 -1.586 6.541 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.382 -2.463 7.937 1.00 0.76 H new ATOM 773 N GLY A 51 8.446 -2.919 7.954 1.00 0.59 N ATOM 774 CA GLY A 51 9.552 -3.033 8.945 1.00 0.69 C ATOM 775 C GLY A 51 10.901 -2.932 8.227 1.00 0.78 C ATOM 776 O GLY A 51 11.910 -2.623 8.828 1.00 0.90 O ATOM 0 H GLY A 51 8.090 -3.806 7.597 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.467 -2.244 9.692 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.482 -3.983 9.475 1.00 0.69 H new ATOM 780 N LYS A 52 10.929 -3.191 6.948 1.00 0.80 N ATOM 781 CA LYS A 52 12.217 -3.110 6.198 1.00 1.01 C ATOM 782 C LYS A 52 12.883 -1.751 6.435 1.00 1.12 C ATOM 783 O LYS A 52 14.062 -1.668 6.713 1.00 1.31 O ATOM 784 CB LYS A 52 11.832 -3.267 4.727 1.00 1.15 C ATOM 785 CG LYS A 52 11.767 -4.755 4.371 1.00 1.49 C ATOM 786 CD LYS A 52 12.962 -5.124 3.487 1.00 1.97 C ATOM 787 CE LYS A 52 13.845 -6.136 4.219 1.00 2.64 C ATOM 788 NZ LYS A 52 15.240 -5.679 3.969 1.00 3.08 N ATOM 0 H LYS A 52 10.117 -3.455 6.390 1.00 0.80 H new ATOM 0 HA LYS A 52 12.927 -3.873 6.517 1.00 1.01 H new ATOM 0 HB2 LYS A 52 10.867 -2.795 4.540 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.561 -2.762 4.093 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.774 -5.357 5.279 1.00 1.49 H new ATOM 0 HG3 LYS A 52 10.835 -4.974 3.850 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.614 -5.545 2.544 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.538 -4.231 3.245 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.621 -6.157 5.286 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.686 -7.146 3.840 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 15.906 -6.324 4.440 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.426 -5.676 2.946 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.363 -4.718 4.346 1.00 3.08 H new ATOM 802 N LEU A 53 12.137 -0.686 6.323 1.00 1.12 N ATOM 803 CA LEU A 53 12.731 0.664 6.542 1.00 1.33 C ATOM 804 C LEU A 53 13.249 0.790 7.976 1.00 1.30 C ATOM 805 O LEU A 53 14.101 1.603 8.270 1.00 1.50 O ATOM 806 CB LEU A 53 11.583 1.646 6.298 1.00 1.55 C ATOM 807 CG LEU A 53 10.463 1.383 7.307 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.613 2.334 8.495 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.108 1.614 6.636 1.00 1.82 C ATOM 0 H LEU A 53 11.144 -0.692 6.090 1.00 1.12 H new ATOM 0 HA LEU A 53 13.578 0.854 5.882 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.941 2.671 6.395 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.205 1.535 5.282 1.00 1.55 H new ATOM 0 HG LEU A 53 10.524 0.353 7.657 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.815 2.147 9.214 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.579 2.169 8.973 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.552 3.365 8.146 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.310 1.427 7.354 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.047 2.644 6.285 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.001 0.936 5.789 1.00 1.82 H new ATOM 821 N LYS A 54 12.740 -0.011 8.873 1.00 1.20 N ATOM 822 CA LYS A 54 13.206 0.064 10.287 1.00 1.35 C ATOM 823 C LYS A 54 14.689 -0.307 10.372 1.00 1.40 C ATOM 824 O LYS A 54 15.473 0.368 11.009 1.00 1.67 O ATOM 825 CB LYS A 54 12.354 -0.958 11.041 1.00 1.46 C ATOM 826 CG LYS A 54 11.950 -0.384 12.400 1.00 1.91 C ATOM 827 CD LYS A 54 12.937 -0.858 13.468 1.00 2.50 C ATOM 828 CE LYS A 54 13.176 0.265 14.480 1.00 2.87 C ATOM 829 NZ LYS A 54 14.656 0.416 14.544 1.00 3.88 N ATOM 0 H LYS A 54 12.023 -0.713 8.688 1.00 1.20 H new ATOM 0 HA LYS A 54 13.103 1.066 10.704 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.465 -1.205 10.460 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.913 -1.884 11.177 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.939 0.705 12.358 1.00 1.91 H new ATOM 0 HG3 LYS A 54 10.940 -0.704 12.656 1.00 1.91 H new ATOM 0 HD2 LYS A 54 12.545 -1.740 13.974 1.00 2.50 H new ATOM 0 HD3 LYS A 54 13.879 -1.149 13.003 1.00 2.50 H new ATOM 0 HE2 LYS A 54 12.698 1.192 14.162 1.00 2.87 H new ATOM 0 HE3 LYS A 54 12.762 0.012 15.456 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 14.899 1.169 15.219 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 15.083 -0.479 14.856 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 15.021 0.664 13.602 1.00 3.88 H new ATOM 843 N ALA A 55 15.077 -1.376 9.734 1.00 1.63 N ATOM 844 CA ALA A 55 16.509 -1.791 9.775 1.00 2.20 C ATOM 845 C ALA A 55 17.272 -1.197 8.585 1.00 2.03 C ATOM 846 O ALA A 55 18.486 -1.151 8.578 1.00 2.38 O ATOM 847 CB ALA A 55 16.481 -3.318 9.684 1.00 2.78 C ATOM 0 H ALA A 55 14.465 -1.981 9.186 1.00 1.63 H new ATOM 0 HA ALA A 55 17.012 -1.443 10.677 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.501 -3.703 9.708 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.921 -3.723 10.527 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.002 -3.618 8.752 1.00 2.78 H new ATOM 853 N GLU A 56 16.573 -0.746 7.577 1.00 1.67 N ATOM 854 CA GLU A 56 17.267 -0.159 6.393 1.00 1.70 C ATOM 855 C GLU A 56 17.343 1.364 6.522 1.00 1.53 C ATOM 856 O GLU A 56 18.245 1.995 6.008 1.00 1.98 O ATOM 857 CB GLU A 56 16.406 -0.553 5.194 1.00 1.99 C ATOM 858 CG GLU A 56 16.517 -2.062 4.959 1.00 2.69 C ATOM 859 CD GLU A 56 17.726 -2.351 4.066 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.652 -1.557 4.081 1.00 3.63 O ATOM 861 OE2 GLU A 56 17.704 -3.361 3.383 1.00 3.64 O ATOM 0 H GLU A 56 15.555 -0.758 7.522 1.00 1.67 H new ATOM 0 HA GLU A 56 18.291 -0.519 6.296 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.367 -0.278 5.373 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.731 -0.011 4.306 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.622 -2.582 5.911 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.607 -2.436 4.490 1.00 2.69 H new ATOM 868 N GLY A 57 16.405 1.959 7.206 1.00 1.58 N ATOM 869 CA GLY A 57 16.425 3.440 7.367 1.00 2.25 C ATOM 870 C GLY A 57 16.008 4.104 6.051 1.00 1.97 C ATOM 871 O GLY A 57 16.571 5.100 5.642 1.00 2.50 O ATOM 0 H GLY A 57 15.625 1.483 7.660 1.00 1.58 H new ATOM 0 HA2 GLY A 57 15.748 3.738 8.167 1.00 2.25 H new ATOM 0 HA3 GLY A 57 17.423 3.772 7.653 1.00 2.25 H new ATOM 875 N SER A 58 15.024 3.562 5.388 1.00 1.30 N ATOM 876 CA SER A 58 14.569 4.162 4.101 1.00 1.23 C ATOM 877 C SER A 58 13.308 4.999 4.326 1.00 1.03 C ATOM 878 O SER A 58 12.752 5.025 5.405 1.00 1.27 O ATOM 879 CB SER A 58 14.264 2.971 3.193 1.00 1.53 C ATOM 880 OG SER A 58 15.406 2.675 2.400 1.00 2.13 O ATOM 0 H SER A 58 14.514 2.729 5.682 1.00 1.30 H new ATOM 0 HA SER A 58 15.318 4.824 3.667 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.990 2.103 3.793 1.00 1.53 H new ATOM 0 HB3 SER A 58 13.412 3.197 2.552 1.00 1.53 H new ATOM 0 HG SER A 58 15.211 1.910 1.819 1.00 2.13 H new ATOM 886 N GLU A 59 12.852 5.679 3.312 1.00 0.85 N ATOM 887 CA GLU A 59 11.635 6.506 3.453 1.00 0.87 C ATOM 888 C GLU A 59 10.510 5.888 2.612 1.00 0.76 C ATOM 889 O GLU A 59 10.178 6.358 1.543 1.00 1.06 O ATOM 890 CB GLU A 59 12.050 7.885 2.931 1.00 1.10 C ATOM 891 CG GLU A 59 10.806 8.707 2.624 1.00 1.05 C ATOM 892 CD GLU A 59 9.816 7.875 1.807 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.697 6.693 2.084 1.00 2.13 O ATOM 894 OE2 GLU A 59 9.193 8.433 0.919 1.00 2.22 O ATOM 0 H GLU A 59 13.278 5.694 2.386 1.00 0.85 H new ATOM 0 HA GLU A 59 11.260 6.570 4.475 1.00 0.87 H new ATOM 0 HB2 GLU A 59 12.663 8.397 3.673 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.659 7.778 2.033 1.00 1.10 H new ATOM 0 HG2 GLU A 59 10.339 9.035 3.553 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.081 9.605 2.071 1.00 1.05 H new ATOM 901 N ILE A 60 9.936 4.835 3.096 1.00 0.59 N ATOM 902 CA ILE A 60 8.837 4.162 2.348 1.00 0.57 C ATOM 903 C ILE A 60 7.685 3.821 3.299 1.00 0.52 C ATOM 904 O ILE A 60 7.894 3.528 4.459 1.00 0.63 O ATOM 905 CB ILE A 60 9.473 2.890 1.797 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.037 2.066 2.962 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.602 3.268 0.833 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.790 0.852 2.424 1.00 1.60 C ATOM 0 H ILE A 60 10.179 4.402 3.987 1.00 0.59 H new ATOM 0 HA ILE A 60 8.420 4.788 1.560 1.00 0.57 H new ATOM 0 HB ILE A 60 8.727 2.300 1.264 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.705 2.682 3.564 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.227 1.742 3.615 1.00 1.46 H new ATOM 0 HG21 ILE A 60 11.060 2.362 0.436 1.00 1.34 H new ATOM 0 HG22 ILE A 60 10.197 3.859 0.012 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.354 3.852 1.364 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.187 0.272 3.257 1.00 1.60 H new ATOM 0 HD12 ILE A 60 10.110 0.231 1.841 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.611 1.185 1.789 1.00 1.60 H new ATOM 920 N ARG A 61 6.471 3.859 2.821 1.00 0.45 N ATOM 921 CA ARG A 61 5.314 3.537 3.707 1.00 0.45 C ATOM 922 C ARG A 61 4.365 2.555 3.016 1.00 0.41 C ATOM 923 O ARG A 61 4.165 2.606 1.818 1.00 0.55 O ATOM 924 CB ARG A 61 4.615 4.874 3.947 1.00 0.51 C ATOM 925 CG ARG A 61 4.292 5.025 5.435 1.00 0.75 C ATOM 926 CD ARG A 61 5.448 5.739 6.140 1.00 0.97 C ATOM 927 NE ARG A 61 6.150 4.670 6.903 1.00 1.30 N ATOM 928 CZ ARG A 61 6.173 4.708 8.207 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.202 4.169 8.893 1.00 2.19 N ATOM 930 NH2 ARG A 61 7.165 5.287 8.826 1.00 2.21 N ATOM 0 H ARG A 61 6.230 4.098 1.859 1.00 0.45 H new ATOM 0 HA ARG A 61 5.631 3.066 4.638 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.254 5.694 3.618 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.699 4.928 3.359 1.00 0.51 H new ATOM 0 HG2 ARG A 61 3.370 5.592 5.562 1.00 0.75 H new ATOM 0 HG3 ARG A 61 4.128 4.045 5.884 1.00 0.75 H new ATOM 0 HD2 ARG A 61 6.115 6.215 5.422 1.00 0.97 H new ATOM 0 HD3 ARG A 61 5.083 6.523 6.803 1.00 0.97 H new ATOM 0 HE ARG A 61 6.613 3.909 6.406 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.425 3.718 8.410 1.00 2.19 H new ATOM 0 HH12 ARG A 61 5.220 4.199 9.912 1.00 2.19 H new ATOM 0 HH21 ARG A 61 7.923 5.710 8.290 1.00 2.21 H new ATOM 0 HH22 ARG A 61 7.182 5.316 9.845 1.00 2.21 H new ATOM 944 N LEU A 62 3.771 1.666 3.764 1.00 0.35 N ATOM 945 CA LEU A 62 2.826 0.685 3.154 1.00 0.36 C ATOM 946 C LEU A 62 1.466 0.776 3.845 1.00 0.32 C ATOM 947 O LEU A 62 1.371 1.155 4.997 1.00 0.38 O ATOM 948 CB LEU A 62 3.460 -0.684 3.390 1.00 0.48 C ATOM 949 CG LEU A 62 4.727 -0.809 2.543 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.878 -1.287 3.427 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.492 -1.818 1.417 1.00 1.59 C ATOM 0 H LEU A 62 3.899 1.576 4.772 1.00 0.35 H new ATOM 0 HA LEU A 62 2.660 0.873 2.093 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.701 -0.808 4.446 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.755 -1.473 3.129 1.00 0.48 H new ATOM 0 HG LEU A 62 4.976 0.160 2.111 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.784 -1.378 2.827 1.00 1.22 H new ATOM 0 HD12 LEU A 62 6.044 -0.567 4.229 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.628 -2.257 3.856 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.395 -1.907 0.814 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.245 -2.790 1.845 1.00 1.59 H new ATOM 0 HD23 LEU A 62 3.668 -1.478 0.789 1.00 1.59 H new ATOM 963 N ALA A 63 0.409 0.438 3.158 1.00 0.30 N ATOM 964 CA ALA A 63 -0.935 0.524 3.803 1.00 0.32 C ATOM 965 C ALA A 63 -1.887 -0.547 3.262 1.00 0.31 C ATOM 966 O ALA A 63 -1.565 -1.283 2.349 1.00 0.37 O ATOM 967 CB ALA A 63 -1.450 1.919 3.454 1.00 0.37 C ATOM 0 H ALA A 63 0.414 0.110 2.192 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.873 0.358 4.878 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.437 2.063 3.893 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.765 2.669 3.849 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.516 2.022 2.371 1.00 0.37 H new ATOM 973 N LYS A 64 -3.064 -0.632 3.825 1.00 0.30 N ATOM 974 CA LYS A 64 -4.058 -1.644 3.362 1.00 0.32 C ATOM 975 C LYS A 64 -5.479 -1.166 3.685 1.00 0.32 C ATOM 976 O LYS A 64 -5.709 -0.520 4.688 1.00 0.40 O ATOM 977 CB LYS A 64 -3.728 -2.913 4.148 1.00 0.38 C ATOM 978 CG LYS A 64 -3.831 -2.626 5.647 1.00 1.39 C ATOM 979 CD LYS A 64 -2.979 -3.635 6.421 1.00 1.60 C ATOM 980 CE LYS A 64 -3.751 -4.947 6.570 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.979 -5.731 7.574 1.00 2.26 N ATOM 0 H LYS A 64 -3.381 -0.039 4.592 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.012 -1.810 2.286 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.415 -3.713 3.872 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.723 -3.256 3.901 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.493 -1.611 5.858 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.870 -2.689 5.969 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -2.039 -3.811 5.897 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -2.726 -3.236 7.403 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -4.772 -4.769 6.907 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -3.817 -5.477 5.620 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.445 -6.647 7.732 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.013 -5.890 7.222 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -2.939 -5.204 8.470 1.00 2.26 H new ATOM 995 N VAL A 65 -6.431 -1.475 2.848 1.00 0.30 N ATOM 996 CA VAL A 65 -7.831 -1.031 3.120 1.00 0.32 C ATOM 997 C VAL A 65 -8.787 -2.221 3.092 1.00 0.31 C ATOM 998 O VAL A 65 -8.540 -3.217 2.440 1.00 0.36 O ATOM 999 CB VAL A 65 -8.175 -0.061 1.991 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.626 0.414 2.147 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.230 1.141 2.048 1.00 0.70 C ATOM 0 H VAL A 65 -6.303 -2.013 1.991 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.921 -0.569 4.103 1.00 0.32 H new ATOM 0 HB VAL A 65 -8.063 -0.564 1.031 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.871 1.106 1.341 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.296 -0.444 2.104 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.743 0.918 3.106 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.474 1.834 1.243 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.341 1.646 3.008 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.201 0.800 1.934 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.886 -2.115 3.783 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.872 -3.228 3.786 1.00 0.39 C ATOM 1013 C ASP A 66 -12.034 -2.884 2.854 1.00 0.40 C ATOM 1014 O ASP A 66 -12.974 -2.217 3.238 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.356 -3.332 5.233 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.863 -4.645 5.842 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.752 -5.041 5.528 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -11.604 -5.234 6.612 1.00 1.38 O ATOM 0 H ASP A 66 -10.144 -1.305 4.346 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.443 -4.168 3.439 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.985 -2.487 5.814 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.445 -3.289 5.268 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.971 -3.326 1.627 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.067 -3.022 0.656 1.00 0.46 C ATOM 1025 C ALA A 67 -14.438 -3.294 1.282 1.00 0.51 C ATOM 1026 O ALA A 67 -15.433 -2.715 0.893 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.818 -3.964 -0.522 1.00 0.51 C ATOM 0 H ALA A 67 -11.206 -3.887 1.252 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.068 -1.975 0.354 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.582 -3.805 -1.283 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.835 -3.763 -0.947 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.860 -4.997 -0.177 1.00 0.51 H new ATOM 1033 N THR A 68 -14.500 -4.171 2.244 1.00 0.53 N ATOM 1034 CA THR A 68 -15.808 -4.477 2.889 1.00 0.62 C ATOM 1035 C THR A 68 -16.305 -3.268 3.687 1.00 0.64 C ATOM 1036 O THR A 68 -17.470 -3.173 4.019 1.00 0.86 O ATOM 1037 CB THR A 68 -15.529 -5.659 3.818 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.216 -5.543 4.350 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.650 -6.965 3.032 1.00 1.35 C ATOM 0 H THR A 68 -13.702 -4.689 2.612 1.00 0.53 H new ATOM 0 HA THR A 68 -16.582 -4.710 2.157 1.00 0.62 H new ATOM 0 HB THR A 68 -16.252 -5.660 4.634 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.186 -5.952 5.240 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.451 -7.808 3.694 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.657 -7.053 2.625 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.928 -6.967 2.216 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.437 -2.340 3.999 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.883 -1.145 4.772 1.00 0.61 C ATOM 1049 C GLU A 69 -15.464 0.131 4.042 1.00 0.57 C ATOM 1050 O GLU A 69 -16.023 1.190 4.247 1.00 0.66 O ATOM 1051 CB GLU A 69 -15.164 -1.252 6.117 1.00 0.63 C ATOM 1052 CG GLU A 69 -16.197 -1.359 7.239 1.00 0.83 C ATOM 1053 CD GLU A 69 -15.524 -1.897 8.503 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.818 -1.136 9.144 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -15.727 -3.061 8.808 1.00 2.10 O ATOM 0 H GLU A 69 -14.447 -2.358 3.754 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.966 -1.107 4.892 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.511 -2.125 6.124 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -14.530 -0.379 6.273 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -16.637 -0.382 7.437 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -17.010 -2.020 6.938 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.472 0.036 3.203 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.993 1.222 2.469 1.00 0.57 C ATOM 1064 C GLU A 70 -14.351 1.115 0.985 1.00 0.72 C ATOM 1065 O GLU A 70 -13.684 1.664 0.132 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.490 1.158 2.676 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.183 1.403 4.153 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.474 0.180 4.737 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.781 -0.920 4.310 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.630 0.366 5.600 1.00 1.89 O ATOM 0 H GLU A 70 -13.971 -0.828 2.997 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.433 2.158 2.812 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.108 0.185 2.368 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -11.992 1.906 2.058 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.555 2.287 4.263 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.106 1.597 4.700 1.00 1.05 H new ATOM 1077 N SER A 71 -15.404 0.408 0.672 1.00 0.55 N ATOM 1078 CA SER A 71 -15.815 0.258 -0.756 1.00 0.66 C ATOM 1079 C SER A 71 -15.846 1.621 -1.452 1.00 0.70 C ATOM 1080 O SER A 71 -15.457 1.756 -2.594 1.00 0.94 O ATOM 1081 CB SER A 71 -17.215 -0.351 -0.703 1.00 0.79 C ATOM 1082 OG SER A 71 -17.324 -1.362 -1.696 1.00 1.48 O ATOM 0 H SER A 71 -16.000 -0.074 1.345 1.00 0.55 H new ATOM 0 HA SER A 71 -15.120 -0.364 -1.319 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.404 -0.773 0.284 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.967 0.421 -0.869 1.00 0.79 H new ATOM 0 HG SER A 71 -18.221 -1.757 -1.664 1.00 1.48 H new ATOM 1088 N ASP A 72 -16.299 2.633 -0.767 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.344 3.988 -1.386 1.00 0.71 C ATOM 1090 C ASP A 72 -14.938 4.406 -1.815 1.00 0.68 C ATOM 1091 O ASP A 72 -14.757 5.143 -2.763 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.869 4.913 -0.289 1.00 0.78 C ATOM 1093 CG ASP A 72 -16.149 4.605 1.025 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -16.040 3.437 1.359 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -15.718 5.543 1.676 1.00 1.57 O ATOM 0 H ASP A 72 -16.640 2.582 0.193 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.976 4.020 -2.274 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.708 5.954 -0.569 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -17.944 4.778 -0.168 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.939 3.931 -1.121 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.539 4.287 -1.484 1.00 0.68 C ATOM 1102 C LEU A 73 -12.124 3.516 -2.737 1.00 0.60 C ATOM 1103 O LEU A 73 -11.610 4.075 -3.684 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.701 3.861 -0.276 1.00 0.83 C ATOM 1105 CG LEU A 73 -10.357 4.598 -0.285 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -10.594 6.110 -0.293 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -9.565 4.217 0.967 1.00 1.22 C ATOM 0 H LEU A 73 -14.033 3.311 -0.317 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.413 5.347 -1.705 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -12.239 4.080 0.646 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -11.535 2.784 -0.300 1.00 0.83 H new ATOM 0 HG LEU A 73 -9.797 4.317 -1.177 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -9.635 6.629 -0.299 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -11.161 6.385 -1.182 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -11.155 6.395 0.597 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -8.608 4.739 0.965 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -10.130 4.499 1.855 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -9.391 3.141 0.974 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.360 2.235 -2.752 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.998 1.422 -3.947 1.00 0.56 C ATOM 1121 C ALA A 74 -12.857 1.853 -5.137 1.00 0.59 C ATOM 1122 O ALA A 74 -12.467 1.720 -6.280 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.307 -0.023 -3.554 1.00 0.60 C ATOM 0 H ALA A 74 -12.789 1.714 -1.987 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.955 1.544 -4.238 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.066 -0.686 -4.385 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.710 -0.299 -2.685 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.366 -0.116 -3.311 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.022 2.378 -4.872 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.906 2.830 -5.982 1.00 0.76 C ATOM 1131 C GLN A 75 -14.334 4.098 -6.617 1.00 0.78 C ATOM 1132 O GLN A 75 -14.375 4.276 -7.818 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.255 3.121 -5.322 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.251 3.585 -6.386 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.569 3.976 -5.714 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.601 4.861 -4.881 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.666 3.351 -6.044 1.00 2.40 N ATOM 0 H GLN A 75 -14.399 2.513 -3.934 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.995 2.086 -6.773 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.629 2.227 -4.823 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.140 3.888 -4.556 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.844 4.434 -6.935 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.422 2.789 -7.111 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.639 2.608 -6.743 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.550 3.605 -5.603 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.794 4.979 -5.819 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.214 6.233 -6.379 1.00 0.84 C ATOM 1148 C GLN A 76 -12.051 5.898 -7.314 1.00 0.83 C ATOM 1149 O GLN A 76 -11.764 6.618 -8.249 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.718 7.019 -5.165 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.188 8.471 -5.272 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.204 9.108 -3.881 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.221 8.415 -2.883 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -13.198 10.408 -3.772 1.00 1.97 N ATOM 0 H GLN A 76 -13.729 4.885 -4.805 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.939 6.802 -6.961 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.097 6.569 -4.247 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.630 6.980 -5.113 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.525 9.031 -5.932 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.184 8.510 -5.713 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.184 10.990 -4.610 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -13.208 10.842 -2.849 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.381 4.806 -7.069 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.238 4.419 -7.939 1.00 0.81 C ATOM 1165 C TYR A 77 -10.688 3.412 -9.005 1.00 0.83 C ATOM 1166 O TYR A 77 -9.975 3.140 -9.950 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.233 3.778 -6.985 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.833 4.785 -5.932 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.335 6.035 -6.316 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -8.963 4.469 -4.575 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -7.967 6.970 -5.341 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -8.595 5.404 -3.600 1.00 1.56 C ATOM 1173 CZ TYR A 77 -8.097 6.656 -3.983 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.735 7.578 -3.023 1.00 1.22 O ATOM 0 H TYR A 77 -11.577 4.164 -6.301 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.818 5.270 -8.475 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.671 2.897 -6.515 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.354 3.442 -7.536 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.235 6.278 -7.363 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -9.347 3.504 -4.280 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -7.582 7.935 -5.637 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -8.695 5.160 -2.553 1.00 1.56 H new ATOM 0 HH TYR A 77 -6.880 7.315 -2.623 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.863 2.857 -8.866 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.344 1.873 -9.875 1.00 0.87 C ATOM 1186 C GLY A 78 -11.445 0.638 -9.850 1.00 0.88 C ATOM 1187 O GLY A 78 -10.865 0.258 -10.847 1.00 1.52 O ATOM 0 H GLY A 78 -12.508 3.043 -8.098 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.375 1.590 -9.661 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.337 2.321 -10.868 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.323 0.006 -8.714 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.460 -1.206 -8.624 1.00 0.79 C ATOM 1193 C VAL A 79 -10.981 -2.297 -9.566 1.00 1.13 C ATOM 1194 O VAL A 79 -12.120 -2.272 -9.988 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.559 -1.653 -7.162 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.151 -0.496 -6.249 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -11.998 -2.067 -6.846 1.00 1.30 C ATOM 0 H VAL A 79 -11.783 0.277 -7.845 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.429 -1.006 -8.917 1.00 0.79 H new ATOM 0 HB VAL A 79 -9.895 -2.501 -6.998 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.221 -0.812 -5.208 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -9.125 -0.202 -6.471 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -10.816 0.351 -6.416 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -12.065 -2.384 -5.805 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -12.665 -1.221 -7.011 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -12.291 -2.891 -7.496 1.00 1.30 H new ATOM 1207 N ARG A 80 -10.157 -3.254 -9.898 1.00 1.27 N ATOM 1208 CA ARG A 80 -10.609 -4.343 -10.812 1.00 1.72 C ATOM 1209 C ARG A 80 -10.894 -5.619 -10.014 1.00 1.38 C ATOM 1210 O ARG A 80 -11.711 -6.433 -10.396 1.00 1.87 O ATOM 1211 CB ARG A 80 -9.441 -4.564 -11.774 1.00 2.38 C ATOM 1212 CG ARG A 80 -9.296 -3.347 -12.691 1.00 2.85 C ATOM 1213 CD ARG A 80 -8.378 -3.699 -13.864 1.00 3.49 C ATOM 1214 NE ARG A 80 -7.130 -2.924 -13.621 1.00 4.06 N ATOM 1215 CZ ARG A 80 -5.969 -3.457 -13.886 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -5.555 -4.489 -13.203 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -5.224 -2.959 -14.834 1.00 5.25 N ATOM 0 H ARG A 80 -9.192 -3.329 -9.577 1.00 1.27 H new ATOM 0 HA ARG A 80 -11.528 -4.085 -11.338 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -8.520 -4.722 -11.214 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -9.611 -5.462 -12.368 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -10.274 -3.038 -13.060 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -8.885 -2.505 -12.134 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -8.177 -4.770 -13.901 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -8.833 -3.427 -14.817 1.00 3.49 H new ATOM 0 HE ARG A 80 -7.183 -1.976 -13.247 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -6.139 -4.878 -12.463 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -4.648 -4.906 -13.409 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -5.549 -2.153 -15.368 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -4.316 -3.376 -15.041 1.00 5.25 H new ATOM 1231 N GLY A 81 -10.223 -5.800 -8.910 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.452 -7.022 -8.088 1.00 0.81 C ATOM 1233 C GLY A 81 -9.417 -7.073 -6.964 1.00 0.74 C ATOM 1234 O GLY A 81 -8.318 -6.574 -7.098 1.00 1.17 O ATOM 0 H GLY A 81 -9.525 -5.154 -8.541 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.459 -7.011 -7.671 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.375 -7.913 -8.711 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.758 -7.668 -5.854 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.785 -7.743 -4.725 1.00 0.52 C ATOM 1240 C TYR A 82 -7.804 -8.909 -4.946 1.00 0.54 C ATOM 1241 O TYR A 82 -8.172 -9.903 -5.539 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.627 -7.999 -3.469 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.769 -7.009 -3.379 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.580 -5.672 -3.758 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.018 -7.433 -2.912 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.642 -4.764 -3.669 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.079 -6.526 -2.824 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.891 -5.190 -3.202 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.940 -4.297 -3.115 1.00 0.85 O ATOM 0 H TYR A 82 -10.663 -8.104 -5.679 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.196 -6.830 -4.640 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.021 -9.015 -3.490 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.999 -7.919 -2.582 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.616 -5.343 -4.118 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.163 -8.462 -2.619 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.497 -3.734 -3.961 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.043 -6.855 -2.465 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.644 -4.674 -2.547 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.581 -8.768 -4.463 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.139 -7.549 -3.739 1.00 0.51 C ATOM 1261 C PRO A 83 -5.649 -6.491 -4.733 1.00 0.51 C ATOM 1262 O PRO A 83 -4.801 -6.755 -5.561 1.00 0.63 O ATOM 1263 CB PRO A 83 -4.987 -8.050 -2.879 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.450 -9.262 -3.587 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.500 -9.751 -4.560 1.00 0.64 C ATOM 0 HA PRO A 83 -6.933 -7.081 -3.157 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.217 -7.286 -2.772 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.328 -8.302 -1.875 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.529 -9.016 -4.115 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.206 -10.044 -2.868 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.105 -9.807 -5.574 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.848 -10.750 -4.298 1.00 0.64 H new ATOM 1273 N THR A 84 -6.169 -5.296 -4.658 1.00 0.45 N ATOM 1274 CA THR A 84 -5.718 -4.234 -5.604 1.00 0.45 C ATOM 1275 C THR A 84 -4.731 -3.294 -4.903 1.00 0.43 C ATOM 1276 O THR A 84 -5.117 -2.418 -4.155 1.00 0.52 O ATOM 1277 CB THR A 84 -6.989 -3.482 -6.003 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.086 -4.386 -6.027 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.804 -2.869 -7.391 1.00 0.56 C ATOM 0 H THR A 84 -6.882 -5.010 -3.987 1.00 0.45 H new ATOM 0 HA THR A 84 -5.206 -4.646 -6.474 1.00 0.45 H new ATOM 0 HB THR A 84 -7.185 -2.691 -5.280 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.945 -5.053 -6.732 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.709 -2.333 -7.676 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.963 -2.176 -7.374 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.608 -3.660 -8.115 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.461 -3.476 -5.137 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.446 -2.601 -4.482 1.00 0.41 C ATOM 1289 C ILE A 85 -2.081 -1.426 -5.395 1.00 0.41 C ATOM 1290 O ILE A 85 -1.916 -1.583 -6.589 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.232 -3.506 -4.265 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.595 -4.619 -3.281 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.074 -2.684 -3.692 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.276 -5.765 -4.033 1.00 1.27 C ATOM 0 H ILE A 85 -3.081 -4.194 -5.754 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.813 -2.172 -3.550 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.933 -3.942 -5.218 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.698 -4.982 -2.779 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.259 -4.233 -2.508 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.790 -3.331 -3.538 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.188 -1.889 -4.390 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.374 -2.247 -2.740 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.534 -6.558 -3.331 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -3.182 -5.397 -4.514 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.597 -6.158 -4.790 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.941 -0.254 -4.840 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.572 0.929 -5.673 1.00 0.40 C ATOM 1308 C LYS A 86 -0.403 1.675 -5.026 1.00 0.38 C ATOM 1309 O LYS A 86 -0.084 1.464 -3.875 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.815 1.821 -5.710 1.00 0.48 C ATOM 1311 CG LYS A 86 -4.038 0.996 -6.121 1.00 0.94 C ATOM 1312 CD LYS A 86 -5.206 1.935 -6.433 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.661 1.723 -7.879 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.936 0.959 -7.770 1.00 1.73 N ATOM 0 H LYS A 86 -2.066 -0.063 -3.846 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.262 0.637 -6.676 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.981 2.269 -4.730 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.665 2.640 -6.414 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.803 0.388 -6.995 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.313 0.310 -5.320 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -6.033 1.744 -5.749 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.903 2.971 -6.284 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.812 2.674 -8.389 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -4.916 1.170 -8.451 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.373 0.876 -8.710 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.740 0.009 -7.394 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -7.586 1.458 -7.129 1.00 1.73 H new ATOM 1328 N PHE A 87 0.237 2.542 -5.756 1.00 0.37 N ATOM 1329 CA PHE A 87 1.390 3.293 -5.178 1.00 0.36 C ATOM 1330 C PHE A 87 1.250 4.792 -5.466 1.00 0.33 C ATOM 1331 O PHE A 87 1.121 5.206 -6.601 1.00 0.37 O ATOM 1332 CB PHE A 87 2.622 2.715 -5.882 1.00 0.42 C ATOM 1333 CG PHE A 87 3.853 3.507 -5.506 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.070 3.877 -4.174 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.775 3.874 -6.494 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.209 4.614 -3.829 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.915 4.610 -6.148 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.132 4.980 -4.817 1.00 0.72 C ATOM 0 H PHE A 87 0.015 2.765 -6.726 1.00 0.37 H new ATOM 0 HA PHE A 87 1.453 3.191 -4.095 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.753 1.670 -5.603 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.479 2.741 -6.962 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.359 3.594 -3.412 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.607 3.590 -7.522 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.376 4.900 -2.801 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.627 4.892 -6.910 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.011 5.548 -4.551 1.00 0.72 H new ATOM 1348 N PHE A 88 1.277 5.607 -4.448 1.00 0.33 N ATOM 1349 CA PHE A 88 1.149 7.075 -4.668 1.00 0.35 C ATOM 1350 C PHE A 88 2.414 7.794 -4.190 1.00 0.42 C ATOM 1351 O PHE A 88 3.080 7.355 -3.273 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.060 7.486 -3.830 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.320 7.234 -4.621 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.679 5.927 -4.972 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.133 8.309 -5.000 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -2.852 5.696 -5.701 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.305 8.078 -5.729 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.652 6.759 -6.097 1.00 0.62 C ATOM 0 H PHE A 88 1.382 5.321 -3.475 1.00 0.33 H new ATOM 0 HA PHE A 88 1.024 7.332 -5.720 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.082 6.920 -2.899 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.010 8.540 -3.561 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.052 5.098 -4.681 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -1.855 9.317 -4.730 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.136 4.686 -5.956 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -3.941 8.904 -6.009 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.539 6.578 -6.686 1.00 0.62 H new ATOM 1368 N ARG A 89 2.756 8.891 -4.810 1.00 0.47 N ATOM 1369 CA ARG A 89 3.984 9.630 -4.395 1.00 0.55 C ATOM 1370 C ARG A 89 3.639 11.072 -4.005 1.00 0.64 C ATOM 1371 O ARG A 89 3.200 11.859 -4.821 1.00 1.05 O ATOM 1372 CB ARG A 89 4.887 9.612 -5.629 1.00 0.73 C ATOM 1373 CG ARG A 89 6.333 9.893 -5.210 1.00 1.15 C ATOM 1374 CD ARG A 89 7.172 10.209 -6.451 1.00 1.42 C ATOM 1375 NE ARG A 89 7.493 11.659 -6.337 1.00 1.73 N ATOM 1376 CZ ARG A 89 8.480 12.167 -7.024 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.714 11.746 -8.237 1.00 2.56 N ATOM 1378 NH2 ARG A 89 9.233 13.094 -6.499 1.00 2.43 N ATOM 0 H ARG A 89 2.239 9.307 -5.585 1.00 0.47 H new ATOM 0 HA ARG A 89 4.462 9.177 -3.527 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.823 8.644 -6.125 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.554 10.361 -6.347 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.365 10.731 -4.514 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.746 9.029 -4.689 1.00 1.15 H new ATOM 0 HD2 ARG A 89 8.079 9.605 -6.479 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.619 9.997 -7.366 1.00 1.42 H new ATOM 0 HE ARG A 89 6.941 12.256 -5.721 1.00 1.73 H new ATOM 0 HH11 ARG A 89 8.126 11.021 -8.647 1.00 2.56 H new ATOM 0 HH12 ARG A 89 9.485 12.142 -8.775 1.00 2.56 H new ATOM 0 HH21 ARG A 89 9.051 13.423 -5.551 1.00 2.43 H new ATOM 0 HH22 ARG A 89 10.004 13.490 -7.037 1.00 2.43 H new ATOM 1392 N ASN A 90 3.839 11.423 -2.762 1.00 0.57 N ATOM 1393 CA ASN A 90 3.530 12.815 -2.314 1.00 0.68 C ATOM 1394 C ASN A 90 2.129 13.234 -2.771 1.00 0.69 C ATOM 1395 O ASN A 90 1.964 14.196 -3.496 1.00 0.98 O ATOM 1396 CB ASN A 90 4.594 13.687 -2.981 1.00 0.87 C ATOM 1397 CG ASN A 90 4.491 15.116 -2.446 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.969 15.410 -1.368 1.00 1.65 O ATOM 1399 ND2 ASN A 90 3.884 16.025 -3.159 1.00 1.74 N ATOM 0 H ASN A 90 4.203 10.806 -2.036 1.00 0.57 H new ATOM 0 HA ASN A 90 3.542 12.907 -1.228 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.587 13.284 -2.782 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.458 13.682 -4.063 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.811 16.981 -2.811 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.482 15.779 -4.064 1.00 1.74 H new ATOM 1406 N GLY A 91 1.119 12.523 -2.352 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.268 12.885 -2.761 1.00 0.75 C ATOM 1408 C GLY A 91 -0.352 12.950 -4.288 1.00 0.79 C ATOM 1409 O GLY A 91 -0.092 13.972 -4.891 1.00 1.19 O ATOM 0 H GLY A 91 1.194 11.707 -1.744 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.975 12.148 -2.379 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.546 13.847 -2.330 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.716 11.867 -4.917 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.819 11.869 -6.404 1.00 1.27 C ATOM 1415 C ASP A 92 -2.236 12.258 -6.833 1.00 1.14 C ATOM 1416 O ASP A 92 -2.440 13.259 -7.491 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.508 10.432 -6.825 1.00 1.93 C ATOM 1418 CG ASP A 92 0.767 10.414 -7.670 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.817 10.715 -7.129 1.00 2.68 O ATOM 1420 OD2 ASP A 92 0.671 10.098 -8.846 1.00 2.41 O ATOM 0 H ASP A 92 -0.946 10.981 -4.467 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.138 12.585 -6.865 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -0.382 9.803 -5.944 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.341 10.020 -7.395 1.00 1.93 H new ATOM 1425 N THR A 93 -3.215 11.471 -6.460 1.00 0.96 N ATOM 1426 CA THR A 93 -4.634 11.777 -6.833 1.00 1.33 C ATOM 1427 C THR A 93 -4.736 12.192 -8.306 1.00 1.26 C ATOM 1428 O THR A 93 -5.537 13.028 -8.672 1.00 1.90 O ATOM 1429 CB THR A 93 -5.058 12.930 -5.917 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.329 14.101 -6.253 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.786 12.557 -4.459 1.00 1.92 C ATOM 0 H THR A 93 -3.092 10.622 -5.908 1.00 0.96 H new ATOM 0 HA THR A 93 -5.277 10.905 -6.712 1.00 1.33 H new ATOM 0 HB THR A 93 -6.124 13.119 -6.048 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.830 13.949 -7.083 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.089 13.379 -3.811 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.353 11.663 -4.200 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.722 12.363 -4.326 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.929 11.611 -9.150 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.978 11.972 -10.596 1.00 1.18 C ATOM 1441 C ALA A 94 -3.282 10.898 -11.433 1.00 1.14 C ATOM 1442 O ALA A 94 -3.906 10.191 -12.199 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.230 13.302 -10.697 1.00 1.24 C ATOM 0 H ALA A 94 -3.238 10.903 -8.902 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.999 12.050 -10.968 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.221 13.637 -11.734 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.729 14.048 -10.079 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.205 13.170 -10.350 1.00 1.24 H new ATOM 1449 N SER A 95 -1.994 10.772 -11.291 1.00 1.20 N ATOM 1450 CA SER A 95 -1.253 9.744 -12.077 1.00 1.22 C ATOM 1451 C SER A 95 -0.487 8.804 -11.137 1.00 0.98 C ATOM 1452 O SER A 95 0.727 8.788 -11.139 1.00 0.98 O ATOM 1453 CB SER A 95 -0.281 10.539 -12.950 1.00 1.48 C ATOM 1454 OG SER A 95 -0.866 10.765 -14.224 1.00 2.01 O ATOM 0 H SER A 95 -1.420 11.336 -10.664 1.00 1.20 H new ATOM 0 HA SER A 95 -1.920 9.120 -12.672 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.042 11.490 -12.474 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.656 9.993 -13.060 1.00 1.48 H new ATOM 0 HG SER A 95 -0.244 11.276 -14.783 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.223 8.046 -10.359 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.589 7.098 -9.409 1.00 0.72 C ATOM 1462 C PRO A 96 -0.004 5.901 -10.164 1.00 0.65 C ATOM 1463 O PRO A 96 -0.222 5.735 -11.347 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.741 6.661 -8.511 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.974 6.865 -9.334 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.692 7.997 -10.287 1.00 1.02 C ATOM 0 HA PRO A 96 0.235 7.540 -8.849 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.634 5.618 -8.212 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.775 7.253 -7.596 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.226 5.956 -9.880 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.827 7.102 -8.697 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.133 7.813 -11.266 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.105 8.938 -9.923 1.00 1.02 H new ATOM 1474 N LYS A 97 0.736 5.065 -9.488 1.00 0.55 N ATOM 1475 CA LYS A 97 1.331 3.880 -10.170 1.00 0.57 C ATOM 1476 C LYS A 97 0.632 2.599 -9.703 1.00 0.53 C ATOM 1477 O LYS A 97 0.062 2.548 -8.630 1.00 0.89 O ATOM 1478 CB LYS A 97 2.801 3.878 -9.752 1.00 0.68 C ATOM 1479 CG LYS A 97 3.628 4.625 -10.802 1.00 0.85 C ATOM 1480 CD LYS A 97 3.639 3.827 -12.108 1.00 1.63 C ATOM 1481 CE LYS A 97 4.822 4.274 -12.969 1.00 2.05 C ATOM 1482 NZ LYS A 97 4.601 3.628 -14.293 1.00 2.61 N ATOM 0 H LYS A 97 0.954 5.151 -8.495 1.00 0.55 H new ATOM 0 HA LYS A 97 1.219 3.925 -11.253 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.914 4.354 -8.778 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.161 2.854 -9.651 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.208 5.616 -10.973 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.647 4.768 -10.443 1.00 0.85 H new ATOM 0 HD2 LYS A 97 3.713 2.761 -11.894 1.00 1.63 H new ATOM 0 HD3 LYS A 97 2.704 3.980 -12.648 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.856 5.360 -13.060 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.770 3.961 -12.531 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 5.373 3.888 -14.939 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 4.580 2.595 -14.176 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 3.695 3.950 -14.689 1.00 2.61 H new ATOM 1496 N GLU A 98 0.666 1.567 -10.502 1.00 0.51 N ATOM 1497 CA GLU A 98 -0.003 0.295 -10.105 1.00 0.48 C ATOM 1498 C GLU A 98 1.039 -0.787 -9.804 1.00 0.45 C ATOM 1499 O GLU A 98 2.028 -0.920 -10.497 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.849 -0.099 -11.316 1.00 0.61 C ATOM 1501 CG GLU A 98 -1.694 -1.327 -10.972 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.944 -0.897 -10.198 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -3.028 0.265 -9.836 1.00 2.61 O ATOM 1504 OE2 GLU A 98 -3.797 -1.741 -9.978 1.00 2.79 O ATOM 0 H GLU A 98 1.128 1.550 -11.411 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.605 0.411 -9.204 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.495 0.730 -11.607 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.205 -0.315 -12.168 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -1.982 -1.849 -11.885 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -1.109 -2.027 -10.376 1.00 1.33 H new ATOM 1511 N TYR A 99 0.822 -1.562 -8.777 1.00 0.45 N ATOM 1512 CA TYR A 99 1.797 -2.636 -8.431 1.00 0.46 C ATOM 1513 C TYR A 99 1.727 -3.766 -9.463 1.00 0.53 C ATOM 1514 O TYR A 99 0.720 -3.966 -10.111 1.00 0.67 O ATOM 1515 CB TYR A 99 1.361 -3.139 -7.056 1.00 0.52 C ATOM 1516 CG TYR A 99 2.422 -4.053 -6.492 1.00 0.64 C ATOM 1517 CD1 TYR A 99 3.706 -3.557 -6.232 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.124 -5.395 -6.229 1.00 1.20 C ATOM 1519 CE1 TYR A 99 4.691 -4.404 -5.710 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.108 -6.242 -5.706 1.00 1.49 C ATOM 1521 CZ TYR A 99 4.393 -5.747 -5.446 1.00 1.70 C ATOM 1522 OH TYR A 99 5.369 -6.580 -4.929 1.00 2.27 O ATOM 0 H TYR A 99 0.011 -1.498 -8.162 1.00 0.45 H new ATOM 0 HA TYR A 99 2.825 -2.274 -8.425 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.198 -2.296 -6.384 1.00 0.52 H new ATOM 0 HB3 TYR A 99 0.413 -3.671 -7.136 1.00 0.52 H new ATOM 0 HD1 TYR A 99 3.936 -2.521 -6.434 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.134 -5.777 -6.430 1.00 1.20 H new ATOM 0 HE1 TYR A 99 5.681 -4.022 -5.511 1.00 2.05 H new ATOM 0 HE2 TYR A 99 2.877 -7.277 -5.503 1.00 1.49 H new ATOM 0 HH TYR A 99 6.232 -6.367 -5.341 1.00 2.27 H new ATOM 1532 N THR A 100 2.791 -4.507 -9.619 1.00 0.60 N ATOM 1533 CA THR A 100 2.783 -5.622 -10.608 1.00 0.72 C ATOM 1534 C THR A 100 3.116 -6.945 -9.915 1.00 0.83 C ATOM 1535 O THR A 100 2.395 -7.917 -10.028 1.00 1.71 O ATOM 1536 CB THR A 100 3.871 -5.261 -11.621 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.062 -4.915 -10.928 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.407 -4.075 -12.466 1.00 1.13 C ATOM 0 H THR A 100 3.664 -4.388 -9.105 1.00 0.60 H new ATOM 0 HA THR A 100 1.809 -5.747 -11.082 1.00 0.72 H new ATOM 0 HB THR A 100 4.063 -6.114 -12.271 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.761 -4.684 -11.575 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.182 -3.817 -13.188 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.492 -4.341 -12.995 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.216 -3.219 -11.818 1.00 1.13 H new ATOM 1546 N ALA A 101 4.205 -6.988 -9.197 1.00 0.83 N ATOM 1547 CA ALA A 101 4.587 -8.247 -8.496 1.00 1.01 C ATOM 1548 C ALA A 101 3.516 -8.627 -7.470 1.00 1.36 C ATOM 1549 O ALA A 101 2.370 -8.236 -7.580 1.00 1.98 O ATOM 1550 CB ALA A 101 5.907 -7.921 -7.796 1.00 0.87 C ATOM 0 H ALA A 101 4.847 -6.206 -9.065 1.00 0.83 H new ATOM 0 HA ALA A 101 4.683 -9.090 -9.181 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.258 -8.799 -7.254 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.651 -7.631 -8.538 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.754 -7.100 -7.096 1.00 0.87 H new ATOM 1556 N GLY A 102 3.880 -9.385 -6.472 1.00 1.17 N ATOM 1557 CA GLY A 102 2.883 -9.787 -5.440 1.00 1.71 C ATOM 1558 C GLY A 102 3.199 -11.199 -4.947 1.00 1.08 C ATOM 1559 O GLY A 102 2.398 -12.105 -5.067 1.00 1.27 O ATOM 0 H GLY A 102 4.824 -9.743 -6.327 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.905 -9.086 -4.606 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.877 -9.753 -5.858 1.00 1.71 H new ATOM 1563 N ARG A 103 4.361 -11.388 -4.389 1.00 0.90 N ATOM 1564 CA ARG A 103 4.736 -12.740 -3.881 1.00 1.11 C ATOM 1565 C ARG A 103 5.075 -12.658 -2.393 1.00 0.94 C ATOM 1566 O ARG A 103 4.559 -13.399 -1.581 1.00 1.04 O ATOM 1567 CB ARG A 103 5.968 -13.140 -4.691 1.00 1.71 C ATOM 1568 CG ARG A 103 6.358 -14.581 -4.352 1.00 2.44 C ATOM 1569 CD ARG A 103 6.011 -15.495 -5.528 1.00 3.16 C ATOM 1570 NE ARG A 103 6.845 -14.999 -6.659 1.00 3.73 N ATOM 1571 CZ ARG A 103 6.602 -15.402 -7.876 1.00 4.34 C ATOM 1572 NH1 ARG A 103 5.742 -14.759 -8.617 1.00 4.81 N ATOM 1573 NH2 ARG A 103 7.219 -16.449 -8.352 1.00 4.84 N ATOM 0 H ARG A 103 5.069 -10.665 -4.262 1.00 0.90 H new ATOM 0 HA ARG A 103 3.929 -13.465 -3.988 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.760 -13.050 -5.757 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.796 -12.467 -4.470 1.00 1.71 H new ATOM 0 HG2 ARG A 103 7.425 -14.639 -4.136 1.00 2.44 H new ATOM 0 HG3 ARG A 103 5.833 -14.910 -3.455 1.00 2.44 H new ATOM 0 HD2 ARG A 103 6.236 -16.537 -5.298 1.00 3.16 H new ATOM 0 HD3 ARG A 103 4.949 -15.444 -5.768 1.00 3.16 H new ATOM 0 HE ARG A 103 7.606 -14.344 -6.482 1.00 3.73 H new ATOM 0 HH11 ARG A 103 5.259 -13.941 -8.245 1.00 4.81 H new ATOM 0 HH12 ARG A 103 5.552 -15.074 -9.568 1.00 4.81 H new ATOM 0 HH21 ARG A 103 7.891 -16.952 -7.773 1.00 4.84 H new ATOM 0 HH22 ARG A 103 7.029 -16.764 -9.303 1.00 4.84 H new ATOM 1587 N GLU A 104 5.938 -11.752 -2.035 1.00 0.75 N ATOM 1588 CA GLU A 104 6.319 -11.602 -0.603 1.00 0.66 C ATOM 1589 C GLU A 104 6.767 -10.162 -0.335 1.00 0.56 C ATOM 1590 O GLU A 104 7.010 -9.406 -1.254 1.00 0.57 O ATOM 1591 CB GLU A 104 7.481 -12.573 -0.396 1.00 0.79 C ATOM 1592 CG GLU A 104 6.962 -14.012 -0.458 1.00 1.59 C ATOM 1593 CD GLU A 104 7.889 -14.925 0.346 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.041 -15.050 -0.036 1.00 2.04 O ATOM 1595 OE2 GLU A 104 7.432 -15.484 1.329 1.00 2.51 O ATOM 0 H GLU A 104 6.399 -11.105 -2.675 1.00 0.75 H new ATOM 0 HA GLU A 104 5.491 -11.814 0.073 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.241 -12.416 -1.162 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.956 -12.388 0.567 1.00 0.79 H new ATOM 0 HG2 GLU A 104 5.949 -14.062 -0.058 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.913 -14.348 -1.494 1.00 1.59 H new ATOM 1602 N ALA A 105 6.873 -9.776 0.915 1.00 0.50 N ATOM 1603 CA ALA A 105 7.306 -8.379 1.248 1.00 0.44 C ATOM 1604 C ALA A 105 8.486 -7.939 0.371 1.00 0.45 C ATOM 1605 O ALA A 105 8.658 -6.770 0.087 1.00 0.47 O ATOM 1606 CB ALA A 105 7.737 -8.440 2.712 1.00 0.47 C ATOM 0 H ALA A 105 6.678 -10.369 1.721 1.00 0.50 H new ATOM 0 HA ALA A 105 6.505 -7.660 1.075 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.069 -7.453 3.035 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.895 -8.758 3.326 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.555 -9.152 2.821 1.00 0.47 H new ATOM 1612 N ASP A 106 9.293 -8.868 -0.065 1.00 0.51 N ATOM 1613 CA ASP A 106 10.452 -8.499 -0.927 1.00 0.56 C ATOM 1614 C ASP A 106 9.953 -7.942 -2.259 1.00 0.54 C ATOM 1615 O ASP A 106 10.386 -6.900 -2.711 1.00 0.64 O ATOM 1616 CB ASP A 106 11.220 -9.803 -1.141 1.00 0.67 C ATOM 1617 CG ASP A 106 11.923 -10.200 0.158 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.419 -9.850 1.212 1.00 1.82 O ATOM 1619 OD2 ASP A 106 12.952 -10.849 0.076 1.00 2.02 O ATOM 0 H ASP A 106 9.200 -9.863 0.138 1.00 0.51 H new ATOM 0 HA ASP A 106 11.080 -7.731 -0.475 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.537 -10.593 -1.453 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.951 -9.680 -1.940 1.00 0.67 H new ATOM 1624 N ASP A 107 9.039 -8.623 -2.886 1.00 0.50 N ATOM 1625 CA ASP A 107 8.502 -8.129 -4.185 1.00 0.52 C ATOM 1626 C ASP A 107 7.892 -6.739 -3.994 1.00 0.51 C ATOM 1627 O ASP A 107 7.796 -5.957 -4.919 1.00 0.63 O ATOM 1628 CB ASP A 107 7.428 -9.139 -4.588 1.00 0.55 C ATOM 1629 CG ASP A 107 8.021 -10.148 -5.574 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.229 -10.315 -5.566 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.257 -10.736 -6.321 1.00 1.41 O ATOM 0 H ASP A 107 8.639 -9.501 -2.556 1.00 0.50 H new ATOM 0 HA ASP A 107 9.274 -8.042 -4.949 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.050 -9.656 -3.706 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.582 -8.624 -5.043 1.00 0.55 H new ATOM 1636 N ILE A 108 7.484 -6.424 -2.793 1.00 0.46 N ATOM 1637 CA ILE A 108 6.885 -5.083 -2.536 1.00 0.52 C ATOM 1638 C ILE A 108 7.989 -4.023 -2.490 1.00 0.50 C ATOM 1639 O ILE A 108 7.950 -3.037 -3.201 1.00 0.52 O ATOM 1640 CB ILE A 108 6.204 -5.202 -1.171 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.230 -6.384 -1.181 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.431 -3.915 -0.872 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.174 -6.168 -2.265 1.00 0.68 C ATOM 0 H ILE A 108 7.540 -7.037 -1.980 1.00 0.46 H new ATOM 0 HA ILE A 108 6.182 -4.787 -3.314 1.00 0.52 H new ATOM 0 HB ILE A 108 6.962 -5.362 -0.405 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.771 -7.312 -1.365 1.00 0.73 H new ATOM 0 HG13 ILE A 108 4.751 -6.482 -0.207 1.00 0.73 H new ATOM 0 HG21 ILE A 108 4.946 -4.000 0.100 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.120 -3.071 -0.861 1.00 0.67 H new ATOM 0 HG23 ILE A 108 4.676 -3.757 -1.642 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.481 -7.010 -2.271 1.00 0.68 H new ATOM 0 HD12 ILE A 108 3.626 -5.248 -2.061 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.661 -6.092 -3.237 1.00 0.68 H new ATOM 1655 N VAL A 109 8.978 -4.222 -1.661 1.00 0.51 N ATOM 1656 CA VAL A 109 10.087 -3.231 -1.572 1.00 0.56 C ATOM 1657 C VAL A 109 10.814 -3.143 -2.915 1.00 0.51 C ATOM 1658 O VAL A 109 11.236 -2.083 -3.336 1.00 0.55 O ATOM 1659 CB VAL A 109 11.019 -3.773 -0.490 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.251 -2.872 -0.378 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.283 -3.799 0.852 1.00 0.86 C ATOM 0 H VAL A 109 9.065 -5.028 -1.042 1.00 0.51 H new ATOM 0 HA VAL A 109 9.732 -2.229 -1.333 1.00 0.56 H new ATOM 0 HB VAL A 109 11.331 -4.784 -0.753 1.00 0.67 H new ATOM 0 HG11 VAL A 109 12.916 -3.259 0.394 1.00 0.81 H new ATOM 0 HG12 VAL A 109 12.776 -2.853 -1.333 1.00 0.81 H new ATOM 0 HG13 VAL A 109 11.940 -1.861 -0.115 1.00 0.81 H new ATOM 0 HG21 VAL A 109 10.948 -4.186 1.624 1.00 0.86 H new ATOM 0 HG22 VAL A 109 9.970 -2.789 1.115 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.406 -4.441 0.774 1.00 0.86 H new ATOM 1671 N ASN A 110 10.962 -4.248 -3.593 1.00 0.50 N ATOM 1672 CA ASN A 110 11.657 -4.225 -4.911 1.00 0.52 C ATOM 1673 C ASN A 110 10.971 -3.225 -5.841 1.00 0.50 C ATOM 1674 O ASN A 110 11.614 -2.486 -6.559 1.00 0.59 O ATOM 1675 CB ASN A 110 11.527 -5.648 -5.456 1.00 0.59 C ATOM 1676 CG ASN A 110 12.905 -6.312 -5.480 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.227 -7.037 -6.400 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.738 -6.093 -4.499 1.00 1.29 N ATOM 0 H ASN A 110 10.632 -5.165 -3.292 1.00 0.50 H new ATOM 0 HA ASN A 110 12.700 -3.921 -4.827 1.00 0.52 H new ATOM 0 HB2 ASN A 110 10.844 -6.226 -4.834 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.104 -5.627 -6.460 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.659 -6.531 -4.505 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.468 -5.484 -3.727 1.00 1.29 H new ATOM 1685 N TRP A 111 9.669 -3.193 -5.824 1.00 0.46 N ATOM 1686 CA TRP A 111 8.936 -2.234 -6.698 1.00 0.51 C ATOM 1687 C TRP A 111 9.161 -0.808 -6.195 1.00 0.55 C ATOM 1688 O TRP A 111 9.248 0.129 -6.963 1.00 0.66 O ATOM 1689 CB TRP A 111 7.463 -2.624 -6.573 1.00 0.55 C ATOM 1690 CG TRP A 111 6.743 -2.271 -7.835 1.00 0.58 C ATOM 1691 CD1 TRP A 111 6.326 -3.160 -8.766 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.349 -0.955 -8.321 1.00 0.69 C ATOM 1693 NE1 TRP A 111 5.701 -2.474 -9.792 1.00 0.84 N ATOM 1694 CE2 TRP A 111 5.692 -1.112 -9.564 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.498 0.347 -7.811 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.198 -0.017 -10.274 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.003 1.452 -8.523 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.354 1.270 -9.752 1.00 1.14 C ATOM 0 H TRP A 111 9.079 -3.789 -5.243 1.00 0.46 H new ATOM 0 HA TRP A 111 9.273 -2.270 -7.734 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.374 -3.693 -6.378 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.010 -2.107 -5.727 1.00 0.55 H new ATOM 0 HD1 TRP A 111 6.459 -4.231 -8.716 1.00 0.73 H new ATOM 0 HE1 TRP A 111 5.297 -2.919 -10.616 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.997 0.498 -6.865 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 4.699 -0.163 -11.220 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.123 2.447 -8.121 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.975 2.123 -10.295 1.00 1.14 H new ATOM 1709 N LEU A 112 9.263 -0.643 -4.906 1.00 0.55 N ATOM 1710 CA LEU A 112 9.492 0.719 -4.343 1.00 0.65 C ATOM 1711 C LEU A 112 10.949 1.138 -4.564 1.00 0.65 C ATOM 1712 O LEU A 112 11.238 2.277 -4.870 1.00 0.75 O ATOM 1713 CB LEU A 112 9.191 0.586 -2.849 1.00 0.74 C ATOM 1714 CG LEU A 112 7.682 0.691 -2.625 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.339 0.196 -1.218 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.245 2.149 -2.773 1.00 1.10 C ATOM 0 H LEU A 112 9.198 -1.392 -4.217 1.00 0.55 H new ATOM 0 HA LEU A 112 8.867 1.476 -4.817 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.560 -0.369 -2.476 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.708 1.367 -2.291 1.00 0.74 H new ATOM 0 HG LEU A 112 7.162 0.079 -3.362 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.263 0.271 -1.058 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.650 -0.843 -1.112 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.859 0.807 -0.480 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.169 2.224 -2.613 1.00 1.10 H new ATOM 0 HD22 LEU A 112 7.765 2.761 -2.036 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.489 2.502 -3.775 1.00 1.10 H new ATOM 1728 N LYS A 113 11.866 0.221 -4.418 1.00 0.62 N ATOM 1729 CA LYS A 113 13.304 0.561 -4.625 1.00 0.70 C ATOM 1730 C LYS A 113 13.665 0.495 -6.116 1.00 0.75 C ATOM 1731 O LYS A 113 14.799 0.712 -6.493 1.00 1.01 O ATOM 1732 CB LYS A 113 14.076 -0.503 -3.842 1.00 0.79 C ATOM 1733 CG LYS A 113 14.849 0.160 -2.700 1.00 1.42 C ATOM 1734 CD LYS A 113 15.161 -0.881 -1.621 1.00 1.84 C ATOM 1735 CE LYS A 113 15.132 -0.215 -0.244 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.214 -0.884 0.530 1.00 2.86 N ATOM 0 H LYS A 113 11.682 -0.750 -4.164 1.00 0.62 H new ATOM 0 HA LYS A 113 13.538 1.571 -4.290 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.387 -1.248 -3.444 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.765 -1.028 -4.504 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.774 0.596 -3.078 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.263 0.975 -2.275 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.432 -1.690 -1.660 1.00 1.84 H new ATOM 0 HD3 LYS A 113 16.140 -1.325 -1.801 1.00 1.84 H new ATOM 0 HE2 LYS A 113 15.307 0.858 -0.321 1.00 2.39 H new ATOM 0 HE3 LYS A 113 14.163 -0.346 0.238 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 16.256 -0.480 1.488 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.017 -1.903 0.592 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.125 -0.736 0.051 1.00 2.86 H new ATOM 1750 N LYS A 114 12.718 0.196 -6.967 1.00 0.71 N ATOM 1751 CA LYS A 114 13.024 0.118 -8.425 1.00 0.89 C ATOM 1752 C LYS A 114 13.510 1.475 -8.938 1.00 1.07 C ATOM 1753 O LYS A 114 14.304 1.555 -9.855 1.00 1.31 O ATOM 1754 CB LYS A 114 11.700 -0.264 -9.088 1.00 0.92 C ATOM 1755 CG LYS A 114 11.929 -0.511 -10.581 1.00 1.45 C ATOM 1756 CD LYS A 114 11.917 -2.015 -10.856 1.00 1.77 C ATOM 1757 CE LYS A 114 11.392 -2.270 -12.271 1.00 2.49 C ATOM 1758 NZ LYS A 114 10.654 -3.561 -12.181 1.00 3.00 N ATOM 0 H LYS A 114 11.749 0.003 -6.715 1.00 0.71 H new ATOM 0 HA LYS A 114 13.812 -0.603 -8.643 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.291 -1.159 -8.619 1.00 0.92 H new ATOM 0 HB3 LYS A 114 10.968 0.532 -8.948 1.00 0.92 H new ATOM 0 HG2 LYS A 114 11.153 -0.017 -11.166 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.882 -0.082 -10.890 1.00 1.45 H new ATOM 0 HD2 LYS A 114 12.922 -2.423 -10.750 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.288 -2.524 -10.126 1.00 1.77 H new ATOM 0 HE2 LYS A 114 10.737 -1.463 -12.601 1.00 2.49 H new ATOM 0 HE3 LYS A 114 12.209 -2.332 -12.990 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 10.264 -3.804 -13.114 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.304 -4.312 -11.872 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 9.878 -3.470 -11.494 1.00 3.00 H new ATOM 1772 N ARG A 115 13.039 2.545 -8.358 1.00 1.09 N ATOM 1773 CA ARG A 115 13.476 3.894 -8.817 1.00 1.40 C ATOM 1774 C ARG A 115 14.648 4.389 -7.964 1.00 1.25 C ATOM 1775 O ARG A 115 15.439 5.204 -8.392 1.00 1.55 O ATOM 1776 CB ARG A 115 12.255 4.795 -8.628 1.00 1.86 C ATOM 1777 CG ARG A 115 11.737 5.243 -9.996 1.00 2.43 C ATOM 1778 CD ARG A 115 10.831 4.157 -10.580 1.00 2.92 C ATOM 1779 NE ARG A 115 11.554 3.660 -11.784 1.00 3.45 N ATOM 1780 CZ ARG A 115 10.949 2.868 -12.627 1.00 3.99 C ATOM 1781 NH1 ARG A 115 9.941 3.307 -13.328 1.00 4.34 N ATOM 1782 NH2 ARG A 115 11.354 1.635 -12.769 1.00 4.52 N ATOM 0 H ARG A 115 12.371 2.544 -7.587 1.00 1.09 H new ATOM 0 HA ARG A 115 13.818 3.886 -9.852 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.474 4.259 -8.089 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.520 5.663 -8.025 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.186 6.178 -9.899 1.00 2.43 H new ATOM 0 HG3 ARG A 115 12.573 5.434 -10.668 1.00 2.43 H new ATOM 0 HD2 ARG A 115 10.662 3.355 -9.861 1.00 2.92 H new ATOM 0 HD3 ARG A 115 9.853 4.559 -10.845 1.00 2.92 H new ATOM 0 HE ARG A 115 12.521 3.938 -11.950 1.00 3.45 H new ATOM 0 HH11 ARG A 115 9.624 4.270 -13.218 1.00 4.34 H new ATOM 0 HH12 ARG A 115 9.469 2.687 -13.986 1.00 4.34 H new ATOM 0 HH21 ARG A 115 12.143 1.291 -12.221 1.00 4.52 H new ATOM 0 HH22 ARG A 115 10.882 1.016 -13.428 1.00 4.52 H new