USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ 177:sc= 2.34 (180deg=1.16) USER MOD Set 1.2: A 50 SER OG : rot 84:sc= 2.07 USER MOD Single : A 23 LYS NZ :NH3+ -119:sc= 0.545 (180deg=0.374) USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.17) USER MOD Single : A 29 GLN : amide:sc= 0.454 K(o=0.45,f=-0.095) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -122:sc= 1.38 USER MOD Single : A 35 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-3.6!) USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.852) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.699 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0618 USER MOD Single : A 43 HIS : no HE2:sc= 0.913 K(o=0.91,f=-2.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 2.49 (180deg=2.12) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 70:sc= 1.26 USER MOD Single : A 53 GLN : amide:sc= -2.2! C(o=-2.2!,f=-6.2!) USER MOD Single : A 55 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.19) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 61 SER OG : rot -111:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= -0.0267 K(o=-0.027,f=-0.55) USER MOD Single : A 74 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.3) USER MOD Single : A 75 HIS : no HD1:sc= -0.755 K(o=-0.75,f=-1.5) USER MOD Single : A 76 THR OG1 : rot -59:sc= 1.11 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 174:sc= 1.26 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0306 F(o=-1.6!,f=-0.031) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 22 2.748 -7.936 4.678 1.00 1.66 N ATOM 23 CA ILE A 22 4.175 -7.680 4.542 1.00 1.60 C ATOM 24 C ILE A 22 4.394 -6.261 4.030 1.00 1.48 C ATOM 25 O ILE A 22 3.747 -5.837 3.071 1.00 1.43 O ATOM 26 CB ILE A 22 4.836 -8.689 3.572 1.00 1.60 C ATOM 27 CG1 ILE A 22 4.737 -10.112 4.130 1.00 1.81 C ATOM 28 CG2 ILE A 22 6.291 -8.318 3.302 1.00 1.58 C ATOM 29 CD1 ILE A 22 5.508 -10.324 5.419 1.00 1.99 C ATOM 0 HA ILE A 22 4.637 -7.796 5.522 1.00 1.60 H new ATOM 0 HB ILE A 22 4.298 -8.649 2.625 1.00 1.60 H new ATOM 0 HG12 ILE A 22 3.688 -10.351 4.303 1.00 1.81 H new ATOM 0 HG13 ILE A 22 5.104 -10.812 3.380 1.00 1.81 H new ATOM 0 HG21 ILE A 22 6.731 -9.044 2.618 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.336 -7.325 2.856 1.00 1.58 H new ATOM 0 HG23 ILE A 22 6.847 -8.320 4.239 1.00 1.58 H new ATOM 0 HD11 ILE A 22 5.388 -11.356 5.749 1.00 1.99 H new ATOM 0 HD12 ILE A 22 6.565 -10.118 5.249 1.00 1.99 H new ATOM 0 HD13 ILE A 22 5.126 -9.651 6.186 1.00 1.99 H new ATOM 41 N LYS A 23 5.280 -5.528 4.679 1.00 1.47 N ATOM 42 CA LYS A 23 5.559 -4.160 4.274 1.00 1.39 C ATOM 43 C LYS A 23 6.866 -4.058 3.498 1.00 1.34 C ATOM 44 O LYS A 23 7.817 -4.791 3.756 1.00 1.48 O ATOM 45 CB LYS A 23 5.613 -3.236 5.492 1.00 1.51 C ATOM 46 CG LYS A 23 4.245 -2.842 6.030 1.00 1.98 C ATOM 47 CD LYS A 23 3.813 -3.729 7.189 1.00 2.61 C ATOM 48 CE LYS A 23 4.727 -3.573 8.398 1.00 3.07 C ATOM 49 NZ LYS A 23 4.835 -2.159 8.847 1.00 2.83 N ATOM 0 H LYS A 23 5.816 -5.853 5.484 1.00 1.47 H new ATOM 0 HA LYS A 23 4.746 -3.847 3.619 1.00 1.39 H new ATOM 0 HB2 LYS A 23 6.176 -3.729 6.285 1.00 1.51 H new ATOM 0 HB3 LYS A 23 6.162 -2.332 5.226 1.00 1.51 H new ATOM 0 HG2 LYS A 23 4.270 -1.803 6.358 1.00 1.98 H new ATOM 0 HG3 LYS A 23 3.508 -2.906 5.230 1.00 1.98 H new ATOM 0 HD2 LYS A 23 2.790 -3.482 7.473 1.00 2.61 H new ATOM 0 HD3 LYS A 23 3.811 -4.771 6.868 1.00 2.61 H new ATOM 0 HE2 LYS A 23 4.349 -4.184 9.218 1.00 3.07 H new ATOM 0 HE3 LYS A 23 5.719 -3.950 8.151 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 5.825 -1.848 8.779 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 4.240 -1.557 8.243 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 4.515 -2.083 9.834 1.00 2.83 H new ATOM 63 N LEU A 24 6.889 -3.146 2.537 1.00 1.21 N ATOM 64 CA LEU A 24 8.071 -2.899 1.724 1.00 1.21 C ATOM 65 C LEU A 24 8.348 -1.402 1.682 1.00 1.21 C ATOM 66 O LEU A 24 7.450 -0.612 1.399 1.00 1.15 O ATOM 67 CB LEU A 24 7.877 -3.428 0.300 1.00 1.15 C ATOM 68 CG LEU A 24 7.750 -4.945 0.167 1.00 1.18 C ATOM 69 CD1 LEU A 24 7.457 -5.330 -1.275 1.00 1.15 C ATOM 70 CD2 LEU A 24 9.016 -5.637 0.652 1.00 1.36 C ATOM 0 H LEU A 24 6.091 -2.557 2.299 1.00 1.21 H new ATOM 0 HA LEU A 24 8.917 -3.422 2.170 1.00 1.21 H new ATOM 0 HB2 LEU A 24 6.982 -2.969 -0.119 1.00 1.15 H new ATOM 0 HB3 LEU A 24 8.719 -3.098 -0.308 1.00 1.15 H new ATOM 0 HG LEU A 24 6.919 -5.273 0.791 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.370 -6.414 -1.352 1.00 1.15 H new ATOM 0 HD12 LEU A 24 6.523 -4.867 -1.592 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.269 -4.985 -1.916 1.00 1.15 H new ATOM 0 HD21 LEU A 24 8.903 -6.716 0.548 1.00 1.36 H new ATOM 0 HD22 LEU A 24 9.865 -5.302 0.056 1.00 1.36 H new ATOM 0 HD23 LEU A 24 9.188 -5.389 1.700 1.00 1.36 H new ATOM 82 N LYS A 25 9.577 -1.016 1.982 1.00 1.36 N ATOM 83 CA LYS A 25 9.957 0.388 1.977 1.00 1.42 C ATOM 84 C LYS A 25 10.551 0.774 0.629 1.00 1.43 C ATOM 85 O LYS A 25 11.652 0.343 0.276 1.00 1.55 O ATOM 86 CB LYS A 25 10.961 0.681 3.096 1.00 1.62 C ATOM 87 CG LYS A 25 10.556 0.112 4.449 1.00 1.51 C ATOM 88 CD LYS A 25 11.476 0.592 5.560 1.00 1.67 C ATOM 89 CE LYS A 25 11.147 2.017 5.980 1.00 2.04 C ATOM 90 NZ LYS A 25 12.217 2.619 6.821 1.00 2.70 N ATOM 0 H LYS A 25 10.330 -1.656 2.233 1.00 1.36 H new ATOM 0 HA LYS A 25 9.060 0.983 2.150 1.00 1.42 H new ATOM 0 HB2 LYS A 25 11.932 0.272 2.816 1.00 1.62 H new ATOM 0 HB3 LYS A 25 11.084 1.760 3.188 1.00 1.62 H new ATOM 0 HG2 LYS A 25 9.530 0.404 4.674 1.00 1.51 H new ATOM 0 HG3 LYS A 25 10.575 -0.977 4.406 1.00 1.51 H new ATOM 0 HD2 LYS A 25 11.387 -0.072 6.420 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.512 0.541 5.224 1.00 1.67 H new ATOM 0 HE2 LYS A 25 10.998 2.630 5.091 1.00 2.04 H new ATOM 0 HE3 LYS A 25 10.207 2.023 6.532 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 12.217 3.652 6.696 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 12.043 2.391 7.821 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 13.140 2.236 6.535 1.00 2.70 H new ATOM 104 N VAL A 26 9.808 1.575 -0.119 1.00 1.35 N ATOM 105 CA VAL A 26 10.240 2.027 -1.431 1.00 1.41 C ATOM 106 C VAL A 26 11.115 3.268 -1.313 1.00 1.60 C ATOM 107 O VAL A 26 10.705 4.281 -0.739 1.00 1.62 O ATOM 108 CB VAL A 26 9.038 2.345 -2.348 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.496 2.541 -3.785 1.00 1.46 C ATOM 110 CG2 VAL A 26 7.989 1.248 -2.266 1.00 1.13 C ATOM 0 H VAL A 26 8.894 1.928 0.165 1.00 1.35 H new ATOM 0 HA VAL A 26 10.814 1.213 -1.874 1.00 1.41 H new ATOM 0 HB VAL A 26 8.585 3.274 -2.002 1.00 1.32 H new ATOM 0 HG11 VAL A 26 8.634 2.764 -4.414 1.00 1.46 H new ATOM 0 HG12 VAL A 26 10.203 3.369 -3.832 1.00 1.46 H new ATOM 0 HG13 VAL A 26 9.979 1.631 -4.140 1.00 1.46 H new ATOM 0 HG21 VAL A 26 7.153 1.495 -2.920 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.428 0.301 -2.579 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.633 1.161 -1.239 1.00 1.13 H new ATOM 120 N ILE A 27 12.320 3.173 -1.850 1.00 1.78 N ATOM 121 CA ILE A 27 13.270 4.274 -1.820 1.00 1.99 C ATOM 122 C ILE A 27 13.451 4.849 -3.221 1.00 2.13 C ATOM 123 O ILE A 27 13.902 4.156 -4.136 1.00 2.21 O ATOM 124 CB ILE A 27 14.646 3.819 -1.278 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.481 2.992 0.004 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.546 5.024 -1.028 1.00 2.39 C ATOM 127 CD1 ILE A 27 13.883 3.755 1.170 1.00 2.07 C ATOM 0 H ILE A 27 12.667 2.335 -2.317 1.00 1.78 H new ATOM 0 HA ILE A 27 12.868 5.037 -1.153 1.00 1.99 H new ATOM 0 HB ILE A 27 15.117 3.187 -2.030 1.00 2.15 H new ATOM 0 HG12 ILE A 27 13.849 2.131 -0.213 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.456 2.606 0.300 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.510 4.686 -0.647 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.695 5.567 -1.961 1.00 2.39 H new ATOM 0 HG23 ILE A 27 15.078 5.682 -0.296 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.802 3.095 2.034 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.524 4.601 1.418 1.00 2.07 H new ATOM 0 HD13 ILE A 27 12.892 4.118 0.897 1.00 2.07 H new ATOM 139 N GLY A 28 13.074 6.107 -3.391 1.00 2.21 N ATOM 140 CA GLY A 28 13.209 6.753 -4.681 1.00 2.40 C ATOM 141 C GLY A 28 14.544 7.456 -4.835 1.00 2.63 C ATOM 142 O GLY A 28 15.368 7.450 -3.915 1.00 2.64 O ATOM 0 H GLY A 28 12.676 6.694 -2.658 1.00 2.21 H new ATOM 0 HA2 GLY A 28 13.099 6.010 -5.471 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.403 7.476 -4.809 1.00 2.40 H new ATOM 146 N GLN A 29 14.749 8.076 -5.990 1.00 2.84 N ATOM 147 CA GLN A 29 15.986 8.790 -6.283 1.00 3.07 C ATOM 148 C GLN A 29 16.136 10.004 -5.368 1.00 3.11 C ATOM 149 O GLN A 29 17.248 10.418 -5.043 1.00 3.26 O ATOM 150 CB GLN A 29 16.003 9.226 -7.754 1.00 3.28 C ATOM 151 CG GLN A 29 17.289 9.917 -8.182 1.00 3.53 C ATOM 152 CD GLN A 29 18.518 9.048 -7.983 1.00 3.59 C ATOM 153 OE1 GLN A 29 18.898 8.276 -8.863 1.00 3.73 O ATOM 154 NE2 GLN A 29 19.146 9.166 -6.823 1.00 3.52 N ATOM 0 H GLN A 29 14.066 8.099 -6.747 1.00 2.84 H new ATOM 0 HA GLN A 29 16.827 8.120 -6.102 1.00 3.07 H new ATOM 0 HB2 GLN A 29 15.847 8.350 -8.383 1.00 3.28 H new ATOM 0 HB3 GLN A 29 15.165 9.900 -7.932 1.00 3.28 H new ATOM 0 HG2 GLN A 29 17.214 10.197 -9.233 1.00 3.53 H new ATOM 0 HG3 GLN A 29 17.406 10.840 -7.614 1.00 3.53 H new ATOM 0 HE21 GLN A 29 18.799 9.818 -6.119 1.00 3.52 H new ATOM 0 HE22 GLN A 29 19.977 8.605 -6.633 1.00 3.52 H new ATOM 163 N ASP A 30 15.009 10.553 -4.938 1.00 3.01 N ATOM 164 CA ASP A 30 15.002 11.716 -4.055 1.00 3.07 C ATOM 165 C ASP A 30 15.107 11.283 -2.596 1.00 2.98 C ATOM 166 O ASP A 30 14.883 12.080 -1.681 1.00 3.01 O ATOM 167 CB ASP A 30 13.727 12.546 -4.266 1.00 3.06 C ATOM 168 CG ASP A 30 12.462 11.803 -3.872 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.169 10.753 -4.483 1.00 2.77 O ATOM 170 OD2 ASP A 30 11.741 12.273 -2.963 1.00 2.90 O ATOM 0 H ASP A 30 14.081 10.211 -5.187 1.00 3.01 H new ATOM 0 HA ASP A 30 15.867 12.333 -4.300 1.00 3.07 H new ATOM 0 HB2 ASP A 30 13.798 13.465 -3.684 1.00 3.06 H new ATOM 0 HB3 ASP A 30 13.659 12.837 -5.314 1.00 3.06 H new ATOM 175 N SER A 31 15.464 10.014 -2.398 1.00 2.89 N ATOM 176 CA SER A 31 15.602 9.438 -1.066 1.00 2.82 C ATOM 177 C SER A 31 14.279 9.522 -0.313 1.00 2.62 C ATOM 178 O SER A 31 14.211 9.968 0.835 1.00 2.65 O ATOM 179 CB SER A 31 16.734 10.124 -0.296 1.00 3.05 C ATOM 180 OG SER A 31 17.961 9.996 -1.003 1.00 3.25 O ATOM 0 H SER A 31 15.664 9.361 -3.155 1.00 2.89 H new ATOM 0 HA SER A 31 15.864 8.384 -1.163 1.00 2.82 H new ATOM 0 HB2 SER A 31 16.498 11.178 -0.152 1.00 3.05 H new ATOM 0 HB3 SER A 31 16.830 9.680 0.695 1.00 3.05 H new ATOM 0 HG SER A 31 18.676 10.440 -0.501 1.00 3.25 H new ATOM 186 N SER A 32 13.224 9.097 -0.989 1.00 2.47 N ATOM 187 CA SER A 32 11.892 9.094 -0.420 1.00 2.32 C ATOM 188 C SER A 32 11.672 7.811 0.374 1.00 2.11 C ATOM 189 O SER A 32 12.462 6.871 0.270 1.00 2.13 O ATOM 190 CB SER A 32 10.866 9.210 -1.546 1.00 2.33 C ATOM 191 OG SER A 32 11.447 8.825 -2.784 1.00 2.38 O ATOM 0 H SER A 32 13.270 8.746 -1.945 1.00 2.47 H new ATOM 0 HA SER A 32 11.777 9.941 0.256 1.00 2.32 H new ATOM 0 HB2 SER A 32 10.005 8.578 -1.329 1.00 2.33 H new ATOM 0 HB3 SER A 32 10.501 10.235 -1.611 1.00 2.33 H new ATOM 0 HG SER A 32 11.384 9.568 -3.420 1.00 2.38 H new ATOM 197 N GLU A 33 10.622 7.778 1.176 1.00 2.01 N ATOM 198 CA GLU A 33 10.325 6.604 1.973 1.00 1.87 C ATOM 199 C GLU A 33 8.834 6.310 1.941 1.00 1.79 C ATOM 200 O GLU A 33 8.051 6.920 2.670 1.00 2.00 O ATOM 201 CB GLU A 33 10.803 6.802 3.413 1.00 1.98 C ATOM 202 CG GLU A 33 11.288 5.518 4.071 1.00 2.57 C ATOM 203 CD GLU A 33 12.029 5.769 5.368 1.00 2.75 C ATOM 204 OE1 GLU A 33 13.019 6.529 5.353 1.00 2.98 O ATOM 205 OE2 GLU A 33 11.631 5.196 6.405 1.00 2.99 O ATOM 0 H GLU A 33 9.964 8.549 1.291 1.00 2.01 H new ATOM 0 HA GLU A 33 10.855 5.751 1.549 1.00 1.87 H new ATOM 0 HB2 GLU A 33 11.611 7.534 3.422 1.00 1.98 H new ATOM 0 HB3 GLU A 33 9.988 7.219 4.004 1.00 1.98 H new ATOM 0 HG2 GLU A 33 10.434 4.869 4.265 1.00 2.57 H new ATOM 0 HG3 GLU A 33 11.942 4.986 3.381 1.00 2.57 H new ATOM 212 N ILE A 34 8.442 5.399 1.067 1.00 1.58 N ATOM 213 CA ILE A 34 7.046 5.017 0.939 1.00 1.50 C ATOM 214 C ILE A 34 6.881 3.552 1.319 1.00 1.38 C ATOM 215 O ILE A 34 7.592 2.692 0.809 1.00 1.31 O ATOM 216 CB ILE A 34 6.526 5.232 -0.503 1.00 1.46 C ATOM 217 CG1 ILE A 34 6.776 6.673 -0.966 1.00 1.71 C ATOM 218 CG2 ILE A 34 5.046 4.892 -0.593 1.00 1.41 C ATOM 219 CD1 ILE A 34 5.959 7.708 -0.223 1.00 1.81 C ATOM 0 H ILE A 34 9.073 4.909 0.433 1.00 1.58 H new ATOM 0 HA ILE A 34 6.463 5.649 1.609 1.00 1.50 H new ATOM 0 HB ILE A 34 7.076 4.563 -1.165 1.00 1.46 H new ATOM 0 HG12 ILE A 34 7.834 6.905 -0.845 1.00 1.71 H new ATOM 0 HG13 ILE A 34 6.554 6.746 -2.031 1.00 1.71 H new ATOM 0 HG21 ILE A 34 4.698 5.049 -1.614 1.00 1.41 H new ATOM 0 HG22 ILE A 34 4.895 3.849 -0.315 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.483 5.534 0.085 1.00 1.41 H new ATOM 0 HD11 ILE A 34 6.192 8.701 -0.608 1.00 1.81 H new ATOM 0 HD12 ILE A 34 4.898 7.504 -0.365 1.00 1.81 H new ATOM 0 HD13 ILE A 34 6.198 7.666 0.840 1.00 1.81 H new ATOM 231 N HIS A 35 5.961 3.269 2.225 1.00 1.41 N ATOM 232 CA HIS A 35 5.732 1.900 2.657 1.00 1.33 C ATOM 233 C HIS A 35 4.698 1.214 1.764 1.00 1.23 C ATOM 234 O HIS A 35 4.006 1.861 0.979 1.00 1.29 O ATOM 235 CB HIS A 35 5.280 1.875 4.115 1.00 1.46 C ATOM 236 CG HIS A 35 6.166 1.060 5.006 1.00 1.58 C ATOM 237 ND1 HIS A 35 6.414 1.356 6.329 1.00 1.91 N ATOM 238 CD2 HIS A 35 6.871 -0.068 4.740 1.00 1.83 C ATOM 239 CE1 HIS A 35 7.241 0.423 6.811 1.00 2.04 C ATOM 240 NE2 HIS A 35 7.548 -0.465 5.887 1.00 2.02 N ATOM 0 H HIS A 35 5.364 3.963 2.674 1.00 1.41 H new ATOM 0 HA HIS A 35 6.670 1.351 2.572 1.00 1.33 H new ATOM 0 HB2 HIS A 35 5.242 2.897 4.492 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.266 1.479 4.165 1.00 1.46 H new ATOM 0 HD2 HIS A 35 6.901 -0.577 3.788 1.00 1.83 H new ATOM 0 HE1 HIS A 35 7.610 0.400 7.826 1.00 2.04 H new ATOM 0 HE2 HIS A 35 8.157 -1.276 5.992 1.00 2.02 H new ATOM 248 N PHE A 36 4.599 -0.097 1.874 1.00 1.15 N ATOM 249 CA PHE A 36 3.662 -0.851 1.057 1.00 1.06 C ATOM 250 C PHE A 36 3.050 -2.008 1.827 1.00 1.12 C ATOM 251 O PHE A 36 3.765 -2.768 2.471 1.00 1.18 O ATOM 252 CB PHE A 36 4.394 -1.413 -0.163 1.00 0.98 C ATOM 253 CG PHE A 36 3.963 -0.839 -1.480 1.00 0.94 C ATOM 254 CD1 PHE A 36 2.640 -0.889 -1.877 1.00 1.06 C ATOM 255 CD2 PHE A 36 4.893 -0.265 -2.330 1.00 1.25 C ATOM 256 CE1 PHE A 36 2.252 -0.373 -3.099 1.00 1.30 C ATOM 257 CE2 PHE A 36 4.512 0.249 -3.551 1.00 1.53 C ATOM 258 CZ PHE A 36 3.189 0.194 -3.937 1.00 1.49 C ATOM 0 H PHE A 36 5.153 -0.662 2.518 1.00 1.15 H new ATOM 0 HA PHE A 36 2.863 -0.173 0.756 1.00 1.06 H new ATOM 0 HB2 PHE A 36 5.463 -1.238 -0.039 1.00 0.98 H new ATOM 0 HB3 PHE A 36 4.249 -2.493 -0.189 1.00 0.98 H new ATOM 0 HD1 PHE A 36 1.903 -1.335 -1.226 1.00 1.06 H new ATOM 0 HD2 PHE A 36 5.930 -0.219 -2.033 1.00 1.25 H new ATOM 0 HE1 PHE A 36 1.215 -0.414 -3.398 1.00 1.30 H new ATOM 0 HE2 PHE A 36 5.248 0.694 -4.204 1.00 1.53 H new ATOM 0 HZ PHE A 36 2.887 0.594 -4.894 1.00 1.49 H new ATOM 268 N LYS A 37 1.731 -2.128 1.771 1.00 1.21 N ATOM 269 CA LYS A 37 1.046 -3.239 2.424 1.00 1.34 C ATOM 270 C LYS A 37 0.721 -4.328 1.402 1.00 1.28 C ATOM 271 O LYS A 37 -0.298 -4.261 0.710 1.00 1.35 O ATOM 272 CB LYS A 37 -0.241 -2.762 3.099 1.00 1.57 C ATOM 273 CG LYS A 37 -0.060 -2.367 4.553 1.00 1.77 C ATOM 274 CD LYS A 37 -1.394 -2.081 5.224 1.00 2.07 C ATOM 275 CE LYS A 37 -2.112 -0.910 4.571 1.00 2.14 C ATOM 276 NZ LYS A 37 -3.499 -0.761 5.083 1.00 2.40 N ATOM 0 H LYS A 37 1.116 -1.476 1.284 1.00 1.21 H new ATOM 0 HA LYS A 37 1.708 -3.647 3.188 1.00 1.34 H new ATOM 0 HB2 LYS A 37 -0.635 -1.909 2.547 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.987 -3.554 3.038 1.00 1.57 H new ATOM 0 HG2 LYS A 37 0.453 -3.167 5.087 1.00 1.77 H new ATOM 0 HG3 LYS A 37 0.576 -1.484 4.615 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -2.025 -2.969 5.173 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -1.231 -1.865 6.280 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -1.555 0.008 4.757 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -2.136 -1.055 3.491 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -4.037 -0.133 4.452 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -3.958 -1.693 5.117 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -3.474 -0.352 6.039 1.00 2.40 H new ATOM 290 N VAL A 38 1.594 -5.326 1.301 1.00 1.24 N ATOM 291 CA VAL A 38 1.395 -6.426 0.359 1.00 1.25 C ATOM 292 C VAL A 38 1.245 -7.761 1.083 1.00 1.39 C ATOM 293 O VAL A 38 1.438 -7.847 2.293 1.00 1.48 O ATOM 294 CB VAL A 38 2.548 -6.531 -0.666 1.00 1.19 C ATOM 295 CG1 VAL A 38 2.589 -5.298 -1.547 1.00 1.57 C ATOM 296 CG2 VAL A 38 3.887 -6.735 0.028 1.00 1.27 C ATOM 0 H VAL A 38 2.445 -5.397 1.858 1.00 1.24 H new ATOM 0 HA VAL A 38 0.473 -6.202 -0.178 1.00 1.25 H new ATOM 0 HB VAL A 38 2.360 -7.402 -1.293 1.00 1.19 H new ATOM 0 HG11 VAL A 38 3.406 -5.389 -2.262 1.00 1.57 H new ATOM 0 HG12 VAL A 38 1.645 -5.203 -2.084 1.00 1.57 H new ATOM 0 HG13 VAL A 38 2.745 -4.414 -0.929 1.00 1.57 H new ATOM 0 HG21 VAL A 38 4.677 -6.805 -0.719 1.00 1.27 H new ATOM 0 HG22 VAL A 38 4.086 -5.892 0.689 1.00 1.27 H new ATOM 0 HG23 VAL A 38 3.858 -7.655 0.612 1.00 1.27 H new ATOM 306 N LYS A 39 0.888 -8.798 0.335 1.00 1.43 N ATOM 307 CA LYS A 39 0.729 -10.136 0.891 1.00 1.60 C ATOM 308 C LYS A 39 1.549 -11.127 0.076 1.00 1.60 C ATOM 309 O LYS A 39 1.734 -10.945 -1.128 1.00 1.49 O ATOM 310 CB LYS A 39 -0.746 -10.553 0.897 1.00 1.69 C ATOM 311 CG LYS A 39 -1.436 -10.396 -0.450 1.00 2.00 C ATOM 312 CD LYS A 39 -2.868 -10.908 -0.411 1.00 2.35 C ATOM 313 CE LYS A 39 -2.919 -12.427 -0.447 1.00 2.74 C ATOM 314 NZ LYS A 39 -3.595 -12.990 0.750 1.00 3.20 N ATOM 0 H LYS A 39 0.702 -8.737 -0.666 1.00 1.43 H new ATOM 0 HA LYS A 39 1.084 -10.130 1.921 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -0.818 -11.594 1.212 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -1.279 -9.958 1.639 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -1.433 -9.345 -0.740 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -0.876 -10.939 -1.211 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -3.360 -10.548 0.493 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -3.423 -10.504 -1.258 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -3.444 -12.751 -1.346 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -1.905 -12.822 -0.510 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -3.608 -14.028 0.685 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -3.080 -12.703 1.607 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -4.571 -12.634 0.797 1.00 3.20 H new ATOM 328 N MET A 40 2.050 -12.168 0.724 1.00 1.76 N ATOM 329 CA MET A 40 2.850 -13.163 0.022 1.00 1.82 C ATOM 330 C MET A 40 1.963 -14.200 -0.653 1.00 1.89 C ATOM 331 O MET A 40 1.686 -15.263 -0.096 1.00 2.06 O ATOM 332 CB MET A 40 3.832 -13.850 0.974 1.00 2.01 C ATOM 333 CG MET A 40 4.987 -12.963 1.409 1.00 1.99 C ATOM 334 SD MET A 40 6.439 -13.910 1.915 1.00 2.53 S ATOM 335 CE MET A 40 7.633 -12.598 2.160 1.00 3.01 C ATOM 0 H MET A 40 1.920 -12.346 1.720 1.00 1.76 H new ATOM 0 HA MET A 40 3.421 -12.642 -0.747 1.00 1.82 H new ATOM 0 HB2 MET A 40 3.291 -14.186 1.859 1.00 2.01 H new ATOM 0 HB3 MET A 40 4.232 -14.740 0.488 1.00 2.01 H new ATOM 0 HG2 MET A 40 5.259 -12.299 0.589 1.00 1.99 H new ATOM 0 HG3 MET A 40 4.663 -12.331 2.236 1.00 1.99 H new ATOM 0 HE1 MET A 40 8.584 -13.026 2.476 1.00 3.01 H new ATOM 0 HE2 MET A 40 7.772 -12.054 1.226 1.00 3.01 H new ATOM 0 HE3 MET A 40 7.270 -11.914 2.928 1.00 3.01 H new ATOM 345 N THR A 41 1.522 -13.868 -1.858 1.00 1.77 N ATOM 346 CA THR A 41 0.675 -14.734 -2.674 1.00 1.85 C ATOM 347 C THR A 41 0.627 -14.164 -4.084 1.00 1.77 C ATOM 348 O THR A 41 0.795 -14.874 -5.073 1.00 1.92 O ATOM 349 CB THR A 41 -0.781 -14.840 -2.146 1.00 1.99 C ATOM 350 OG1 THR A 41 -0.804 -15.114 -0.738 1.00 2.21 O ATOM 351 CG2 THR A 41 -1.537 -15.937 -2.876 1.00 2.21 C ATOM 0 H THR A 41 1.744 -12.978 -2.305 1.00 1.77 H new ATOM 0 HA THR A 41 1.108 -15.734 -2.643 1.00 1.85 H new ATOM 0 HB THR A 41 -1.263 -13.880 -2.329 1.00 1.99 H new ATOM 0 HG1 THR A 41 0.030 -15.557 -0.477 1.00 2.21 H new ATOM 0 HG21 THR A 41 -2.555 -15.995 -2.491 1.00 2.21 H new ATOM 0 HG22 THR A 41 -1.564 -15.713 -3.942 1.00 2.21 H new ATOM 0 HG23 THR A 41 -1.035 -16.892 -2.719 1.00 2.21 H new ATOM 359 N THR A 42 0.401 -12.860 -4.147 1.00 1.62 N ATOM 360 CA THR A 42 0.331 -12.137 -5.400 1.00 1.60 C ATOM 361 C THR A 42 1.727 -11.908 -5.975 1.00 1.48 C ATOM 362 O THR A 42 2.703 -11.785 -5.229 1.00 1.35 O ATOM 363 CB THR A 42 -0.369 -10.784 -5.179 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.140 -10.838 -3.969 1.00 1.63 O ATOM 365 CG2 THR A 42 -1.284 -10.434 -6.341 1.00 1.75 C ATOM 0 H THR A 42 0.261 -12.274 -3.324 1.00 1.62 H new ATOM 0 HA THR A 42 -0.240 -12.733 -6.111 1.00 1.60 H new ATOM 0 HB THR A 42 0.399 -10.014 -5.106 1.00 1.58 H new ATOM 0 HG1 THR A 42 -1.585 -9.977 -3.826 1.00 1.63 H new ATOM 0 HG21 THR A 42 -1.762 -9.473 -6.151 1.00 1.75 H new ATOM 0 HG22 THR A 42 -0.699 -10.374 -7.259 1.00 1.75 H new ATOM 0 HG23 THR A 42 -2.048 -11.204 -6.447 1.00 1.75 H new ATOM 373 N HIS A 43 1.821 -11.883 -7.301 1.00 1.61 N ATOM 374 CA HIS A 43 3.093 -11.666 -7.979 1.00 1.65 C ATOM 375 C HIS A 43 3.606 -10.255 -7.720 1.00 1.48 C ATOM 376 O HIS A 43 2.822 -9.339 -7.453 1.00 1.33 O ATOM 377 CB HIS A 43 2.939 -11.884 -9.487 1.00 1.90 C ATOM 378 CG HIS A 43 3.350 -13.246 -9.954 1.00 1.95 C ATOM 379 ND1 HIS A 43 4.336 -13.476 -10.888 1.00 2.43 N ATOM 380 CD2 HIS A 43 2.884 -14.471 -9.594 1.00 2.01 C ATOM 381 CE1 HIS A 43 4.435 -14.800 -11.066 1.00 2.36 C ATOM 382 NE2 HIS A 43 3.574 -15.451 -10.301 1.00 2.09 N ATOM 0 H HIS A 43 1.027 -12.011 -7.929 1.00 1.61 H new ATOM 0 HA HIS A 43 3.812 -12.383 -7.584 1.00 1.65 H new ATOM 0 HB2 HIS A 43 1.898 -11.716 -9.763 1.00 1.90 H new ATOM 0 HB3 HIS A 43 3.533 -11.137 -10.014 1.00 1.90 H new ATOM 0 HD1 HIS A 43 4.893 -12.764 -11.361 1.00 2.43 H new ATOM 0 HD2 HIS A 43 2.101 -14.655 -8.873 1.00 2.01 H new ATOM 0 HE1 HIS A 43 5.128 -15.274 -11.746 1.00 2.36 H new ATOM 390 N LEU A 44 4.918 -10.072 -7.822 1.00 1.56 N ATOM 391 CA LEU A 44 5.523 -8.760 -7.608 1.00 1.47 C ATOM 392 C LEU A 44 5.150 -7.815 -8.742 1.00 1.45 C ATOM 393 O LEU A 44 5.405 -6.612 -8.676 1.00 1.45 O ATOM 394 CB LEU A 44 7.042 -8.878 -7.483 1.00 1.65 C ATOM 395 CG LEU A 44 7.543 -9.461 -6.158 1.00 1.77 C ATOM 396 CD1 LEU A 44 9.057 -9.595 -6.176 1.00 1.89 C ATOM 397 CD2 LEU A 44 7.098 -8.595 -4.988 1.00 1.80 C ATOM 0 H LEU A 44 5.582 -10.812 -8.051 1.00 1.56 H new ATOM 0 HA LEU A 44 5.137 -8.351 -6.674 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.411 -9.501 -8.298 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.480 -7.888 -7.615 1.00 1.65 H new ATOM 0 HG LEU A 44 7.109 -10.453 -6.033 1.00 1.77 H new ATOM 0 HD11 LEU A 44 9.397 -10.011 -5.227 1.00 1.89 H new ATOM 0 HD12 LEU A 44 9.354 -10.257 -6.989 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.507 -8.614 -6.324 1.00 1.89 H new ATOM 0 HD21 LEU A 44 7.464 -9.026 -4.056 1.00 1.80 H new ATOM 0 HD22 LEU A 44 7.502 -7.589 -5.106 1.00 1.80 H new ATOM 0 HD23 LEU A 44 6.009 -8.548 -4.963 1.00 1.80 H new ATOM 409 N LYS A 45 4.549 -8.381 -9.784 1.00 1.48 N ATOM 410 CA LYS A 45 4.092 -7.610 -10.925 1.00 1.52 C ATOM 411 C LYS A 45 3.044 -6.609 -10.462 1.00 1.41 C ATOM 412 O LYS A 45 3.035 -5.453 -10.886 1.00 1.43 O ATOM 413 CB LYS A 45 3.492 -8.542 -11.983 1.00 1.63 C ATOM 414 CG LYS A 45 2.985 -7.821 -13.220 1.00 1.89 C ATOM 415 CD LYS A 45 2.235 -8.767 -14.143 1.00 1.77 C ATOM 416 CE LYS A 45 0.807 -8.993 -13.677 1.00 2.18 C ATOM 417 NZ LYS A 45 -0.124 -7.966 -14.216 1.00 2.44 N ATOM 0 H LYS A 45 4.368 -9.382 -9.857 1.00 1.48 H new ATOM 0 HA LYS A 45 4.936 -7.079 -11.366 1.00 1.52 H new ATOM 0 HB2 LYS A 45 4.246 -9.270 -12.282 1.00 1.63 H new ATOM 0 HB3 LYS A 45 2.669 -9.101 -11.537 1.00 1.63 H new ATOM 0 HG2 LYS A 45 2.329 -7.003 -12.923 1.00 1.89 H new ATOM 0 HG3 LYS A 45 3.825 -7.378 -13.755 1.00 1.89 H new ATOM 0 HD2 LYS A 45 2.228 -8.359 -15.154 1.00 1.77 H new ATOM 0 HD3 LYS A 45 2.758 -9.722 -14.188 1.00 1.77 H new ATOM 0 HE2 LYS A 45 0.476 -9.983 -13.991 1.00 2.18 H new ATOM 0 HE3 LYS A 45 0.774 -8.976 -12.588 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 -1.087 -8.157 -13.874 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 0.176 -7.023 -13.896 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 -0.113 -7.999 -15.255 1.00 2.44 H new ATOM 431 N LYS A 46 2.179 -7.066 -9.557 1.00 1.33 N ATOM 432 CA LYS A 46 1.125 -6.232 -9.008 1.00 1.28 C ATOM 433 C LYS A 46 1.732 -5.059 -8.251 1.00 1.20 C ATOM 434 O LYS A 46 1.242 -3.938 -8.335 1.00 1.20 O ATOM 435 CB LYS A 46 0.220 -7.038 -8.079 1.00 1.31 C ATOM 436 CG LYS A 46 -1.106 -6.356 -7.787 1.00 1.33 C ATOM 437 CD LYS A 46 -2.078 -6.515 -8.946 1.00 1.76 C ATOM 438 CE LYS A 46 -3.271 -5.582 -8.812 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.005 -4.240 -9.399 1.00 2.08 N ATOM 0 H LYS A 46 2.193 -8.018 -9.190 1.00 1.33 H new ATOM 0 HA LYS A 46 0.521 -5.856 -9.834 1.00 1.28 H new ATOM 0 HB2 LYS A 46 0.028 -8.013 -8.527 1.00 1.31 H new ATOM 0 HB3 LYS A 46 0.743 -7.217 -7.139 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -1.543 -6.779 -6.883 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -0.937 -5.297 -7.594 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -1.562 -6.313 -9.884 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -2.426 -7.547 -8.990 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -4.135 -6.027 -9.305 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -3.527 -5.471 -7.758 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -3.862 -3.655 -9.330 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -2.230 -3.781 -8.879 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -2.737 -4.345 -10.398 1.00 2.08 H new ATOM 453 N LEU A 47 2.808 -5.332 -7.524 1.00 1.18 N ATOM 454 CA LEU A 47 3.505 -4.312 -6.751 1.00 1.15 C ATOM 455 C LEU A 47 3.969 -3.183 -7.666 1.00 1.18 C ATOM 456 O LEU A 47 3.795 -2.003 -7.362 1.00 1.20 O ATOM 457 CB LEU A 47 4.706 -4.952 -6.034 1.00 1.21 C ATOM 458 CG LEU A 47 5.380 -4.120 -4.933 1.00 1.64 C ATOM 459 CD1 LEU A 47 6.415 -3.170 -5.517 1.00 2.54 C ATOM 460 CD2 LEU A 47 4.348 -3.351 -4.127 1.00 2.22 C ATOM 0 H LEU A 47 3.221 -6.262 -7.454 1.00 1.18 H new ATOM 0 HA LEU A 47 2.827 -3.892 -6.008 1.00 1.15 H new ATOM 0 HB2 LEU A 47 4.377 -5.894 -5.595 1.00 1.21 H new ATOM 0 HB3 LEU A 47 5.458 -5.196 -6.784 1.00 1.21 H new ATOM 0 HG LEU A 47 5.894 -4.811 -4.265 1.00 1.64 H new ATOM 0 HD11 LEU A 47 6.875 -2.595 -4.714 1.00 2.54 H new ATOM 0 HD12 LEU A 47 7.182 -3.743 -6.038 1.00 2.54 H new ATOM 0 HD13 LEU A 47 5.931 -2.491 -6.218 1.00 2.54 H new ATOM 0 HD21 LEU A 47 4.850 -2.770 -3.354 1.00 2.22 H new ATOM 0 HD22 LEU A 47 3.798 -2.680 -4.786 1.00 2.22 H new ATOM 0 HD23 LEU A 47 3.654 -4.051 -3.662 1.00 2.22 H new ATOM 472 N LYS A 48 4.526 -3.562 -8.804 1.00 1.25 N ATOM 473 CA LYS A 48 5.036 -2.603 -9.772 1.00 1.37 C ATOM 474 C LYS A 48 3.918 -1.803 -10.443 1.00 1.38 C ATOM 475 O LYS A 48 3.929 -0.572 -10.412 1.00 1.43 O ATOM 476 CB LYS A 48 5.857 -3.334 -10.835 1.00 1.53 C ATOM 477 CG LYS A 48 7.023 -4.124 -10.262 1.00 1.58 C ATOM 478 CD LYS A 48 7.543 -5.154 -11.251 1.00 1.80 C ATOM 479 CE LYS A 48 8.193 -4.500 -12.458 1.00 2.01 C ATOM 480 NZ LYS A 48 8.706 -5.506 -13.423 1.00 2.26 N ATOM 0 H LYS A 48 4.637 -4.537 -9.083 1.00 1.25 H new ATOM 0 HA LYS A 48 5.664 -1.895 -9.232 1.00 1.37 H new ATOM 0 HB2 LYS A 48 5.204 -4.012 -11.385 1.00 1.53 H new ATOM 0 HB3 LYS A 48 6.238 -2.607 -11.552 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.828 -3.441 -9.991 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.709 -4.625 -9.346 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.266 -5.801 -10.755 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.721 -5.789 -11.581 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.469 -3.856 -12.956 1.00 2.01 H new ATOM 0 HE3 LYS A 48 9.013 -3.862 -12.128 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 8.860 -5.054 -14.347 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.605 -5.895 -13.074 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.013 -6.275 -13.525 1.00 2.26 H new ATOM 494 N GLU A 49 2.951 -2.503 -11.031 1.00 1.39 N ATOM 495 CA GLU A 49 1.853 -1.847 -11.745 1.00 1.46 C ATOM 496 C GLU A 49 0.994 -0.969 -10.833 1.00 1.40 C ATOM 497 O GLU A 49 0.639 0.148 -11.206 1.00 1.51 O ATOM 498 CB GLU A 49 0.972 -2.880 -12.457 1.00 1.52 C ATOM 499 CG GLU A 49 0.427 -3.958 -11.538 1.00 1.45 C ATOM 500 CD GLU A 49 -0.583 -4.856 -12.221 1.00 1.63 C ATOM 501 OE1 GLU A 49 -0.241 -5.471 -13.251 1.00 1.88 O ATOM 502 OE2 GLU A 49 -1.724 -4.952 -11.727 1.00 1.70 O ATOM 0 H GLU A 49 2.903 -3.522 -11.029 1.00 1.39 H new ATOM 0 HA GLU A 49 2.315 -1.193 -12.484 1.00 1.46 H new ATOM 0 HB2 GLU A 49 0.137 -2.365 -12.933 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.551 -3.351 -13.251 1.00 1.52 H new ATOM 0 HG2 GLU A 49 1.253 -4.564 -11.167 1.00 1.45 H new ATOM 0 HG3 GLU A 49 -0.038 -3.489 -10.671 1.00 1.45 H new ATOM 509 N SER A 50 0.679 -1.455 -9.637 1.00 1.30 N ATOM 510 CA SER A 50 -0.156 -0.692 -8.717 1.00 1.32 C ATOM 511 C SER A 50 0.548 0.581 -8.259 1.00 1.33 C ATOM 512 O SER A 50 -0.092 1.615 -8.063 1.00 1.46 O ATOM 513 CB SER A 50 -0.552 -1.550 -7.516 1.00 1.26 C ATOM 514 OG SER A 50 -1.039 -2.817 -7.940 1.00 1.37 O ATOM 0 H SER A 50 0.985 -2.362 -9.285 1.00 1.30 H new ATOM 0 HA SER A 50 -1.062 -0.400 -9.249 1.00 1.32 H new ATOM 0 HB2 SER A 50 0.309 -1.687 -6.861 1.00 1.26 H new ATOM 0 HB3 SER A 50 -1.317 -1.037 -6.934 1.00 1.26 H new ATOM 0 HG SER A 50 -0.284 -3.421 -8.100 1.00 1.37 H new ATOM 520 N TYR A 51 1.865 0.517 -8.107 1.00 1.26 N ATOM 521 CA TYR A 51 2.619 1.684 -7.690 1.00 1.33 C ATOM 522 C TYR A 51 2.653 2.699 -8.823 1.00 1.50 C ATOM 523 O TYR A 51 2.503 3.899 -8.597 1.00 1.62 O ATOM 524 CB TYR A 51 4.039 1.312 -7.265 1.00 1.28 C ATOM 525 CG TYR A 51 4.743 2.415 -6.501 1.00 1.35 C ATOM 526 CD1 TYR A 51 4.082 3.139 -5.516 1.00 1.35 C ATOM 527 CD2 TYR A 51 6.064 2.737 -6.771 1.00 1.54 C ATOM 528 CE1 TYR A 51 4.724 4.150 -4.824 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.712 3.747 -6.083 1.00 1.64 C ATOM 530 CZ TYR A 51 6.037 4.451 -5.112 1.00 1.56 C ATOM 531 OH TYR A 51 6.677 5.455 -4.421 1.00 1.69 O ATOM 0 H TYR A 51 2.424 -0.321 -8.265 1.00 1.26 H new ATOM 0 HA TYR A 51 2.123 2.122 -6.824 1.00 1.33 H new ATOM 0 HB2 TYR A 51 4.003 0.416 -6.645 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.623 1.063 -8.151 1.00 1.28 H new ATOM 0 HD1 TYR A 51 3.052 2.909 -5.287 1.00 1.35 H new ATOM 0 HD2 TYR A 51 6.598 2.189 -7.533 1.00 1.54 H new ATOM 0 HE1 TYR A 51 4.197 4.702 -4.060 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.742 3.982 -6.307 1.00 1.64 H new ATOM 0 HH TYR A 51 7.598 5.539 -4.745 1.00 1.69 H new ATOM 541 N CYS A 52 2.827 2.208 -10.047 1.00 1.55 N ATOM 542 CA CYS A 52 2.859 3.070 -11.222 1.00 1.74 C ATOM 543 C CYS A 52 1.527 3.798 -11.368 1.00 1.84 C ATOM 544 O CYS A 52 1.481 4.960 -11.775 1.00 1.99 O ATOM 545 CB CYS A 52 3.168 2.257 -12.480 1.00 1.82 C ATOM 546 SG CYS A 52 4.766 1.411 -12.433 1.00 1.82 S ATOM 0 H CYS A 52 2.948 1.216 -10.250 1.00 1.55 H new ATOM 0 HA CYS A 52 3.651 3.808 -11.094 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.381 1.517 -12.625 1.00 1.82 H new ATOM 0 HB3 CYS A 52 3.145 2.921 -13.344 1.00 1.82 H new ATOM 0 HG CYS A 52 4.720 0.444 -11.566 1.00 1.82 H new ATOM 552 N GLN A 53 0.449 3.107 -11.005 1.00 1.79 N ATOM 553 CA GLN A 53 -0.892 3.673 -11.060 1.00 1.94 C ATOM 554 C GLN A 53 -1.009 4.854 -10.103 1.00 1.99 C ATOM 555 O GLN A 53 -1.655 5.856 -10.412 1.00 2.17 O ATOM 556 CB GLN A 53 -1.936 2.616 -10.696 1.00 1.91 C ATOM 557 CG GLN A 53 -2.273 1.664 -11.836 1.00 1.94 C ATOM 558 CD GLN A 53 -3.051 0.451 -11.359 1.00 1.90 C ATOM 559 OE1 GLN A 53 -2.822 -0.057 -10.262 1.00 1.86 O ATOM 560 NE2 GLN A 53 -3.978 -0.020 -12.177 1.00 2.00 N ATOM 0 H GLN A 53 0.482 2.145 -10.667 1.00 1.79 H new ATOM 0 HA GLN A 53 -1.074 4.017 -12.078 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.572 2.037 -9.847 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -2.848 3.117 -10.372 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.856 2.194 -12.589 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -1.352 1.336 -12.318 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -4.138 0.429 -13.079 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -4.532 -0.832 -11.906 1.00 2.00 H new ATOM 569 N ARG A 54 -0.376 4.737 -8.942 1.00 1.86 N ATOM 570 CA ARG A 54 -0.411 5.802 -7.952 1.00 1.94 C ATOM 571 C ARG A 54 0.516 6.940 -8.365 1.00 2.02 C ATOM 572 O ARG A 54 0.189 8.116 -8.185 1.00 2.17 O ATOM 573 CB ARG A 54 -0.025 5.272 -6.570 1.00 1.82 C ATOM 574 CG ARG A 54 -0.025 6.345 -5.492 1.00 2.10 C ATOM 575 CD ARG A 54 0.105 5.744 -4.106 1.00 1.80 C ATOM 576 NE ARG A 54 1.149 6.397 -3.323 1.00 1.77 N ATOM 577 CZ ARG A 54 1.123 6.519 -1.995 1.00 1.81 C ATOM 578 NH1 ARG A 54 0.079 6.082 -1.302 1.00 1.85 N ATOM 579 NH2 ARG A 54 2.134 7.097 -1.366 1.00 1.89 N ATOM 0 H ARG A 54 0.165 3.918 -8.665 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.430 6.185 -7.897 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.719 4.481 -6.285 1.00 1.82 H new ATOM 0 HB3 ARG A 54 0.966 4.822 -6.625 1.00 1.82 H new ATOM 0 HG2 ARG A 54 0.798 7.038 -5.667 1.00 2.10 H new ATOM 0 HG3 ARG A 54 -0.947 6.923 -5.553 1.00 2.10 H new ATOM 0 HD2 ARG A 54 -0.847 5.829 -3.583 1.00 1.80 H new ATOM 0 HD3 ARG A 54 0.328 4.680 -4.191 1.00 1.80 H new ATOM 0 HE ARG A 54 1.949 6.785 -3.823 1.00 1.77 H new ATOM 0 HH11 ARG A 54 -0.709 5.650 -1.785 1.00 1.85 H new ATOM 0 HH12 ARG A 54 0.065 6.178 -0.287 1.00 1.85 H new ATOM 0 HH21 ARG A 54 2.931 7.448 -1.897 1.00 1.89 H new ATOM 0 HH22 ARG A 54 2.116 7.191 -0.351 1.00 1.89 H new ATOM 593 N GLN A 55 1.667 6.588 -8.930 1.00 1.96 N ATOM 594 CA GLN A 55 2.633 7.585 -9.378 1.00 2.07 C ATOM 595 C GLN A 55 2.094 8.334 -10.592 1.00 2.27 C ATOM 596 O GLN A 55 2.508 9.456 -10.881 1.00 2.41 O ATOM 597 CB GLN A 55 3.981 6.935 -9.714 1.00 2.01 C ATOM 598 CG GLN A 55 4.617 6.182 -8.553 1.00 1.84 C ATOM 599 CD GLN A 55 4.696 7.003 -7.279 1.00 1.98 C ATOM 600 OE1 GLN A 55 3.774 6.998 -6.465 1.00 1.96 O ATOM 601 NE2 GLN A 55 5.804 7.705 -7.095 1.00 2.24 N ATOM 0 H GLN A 55 1.953 5.622 -9.088 1.00 1.96 H new ATOM 0 HA GLN A 55 2.790 8.293 -8.564 1.00 2.07 H new ATOM 0 HB2 GLN A 55 3.842 6.246 -10.547 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.671 7.709 -10.052 1.00 2.01 H new ATOM 0 HG2 GLN A 55 4.043 5.276 -8.358 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.621 5.869 -8.838 1.00 1.84 H new ATOM 0 HE21 GLN A 55 6.545 7.681 -7.796 1.00 2.24 H new ATOM 0 HE22 GLN A 55 5.916 8.269 -6.253 1.00 2.24 H new ATOM 610 N GLY A 56 1.163 7.704 -11.296 1.00 2.29 N ATOM 611 CA GLY A 56 0.567 8.319 -12.463 1.00 2.49 C ATOM 612 C GLY A 56 1.407 8.135 -13.707 1.00 2.55 C ATOM 613 O GLY A 56 1.344 8.941 -14.634 1.00 2.74 O ATOM 0 H GLY A 56 0.809 6.773 -11.077 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.422 7.892 -12.630 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.427 9.384 -12.277 1.00 2.49 H new ATOM 617 N VAL A 57 2.181 7.063 -13.735 1.00 2.42 N ATOM 618 CA VAL A 57 3.046 6.771 -14.867 1.00 2.52 C ATOM 619 C VAL A 57 2.647 5.456 -15.529 1.00 2.44 C ATOM 620 O VAL A 57 2.063 4.581 -14.884 1.00 2.26 O ATOM 621 CB VAL A 57 4.529 6.699 -14.441 1.00 2.52 C ATOM 622 CG1 VAL A 57 5.027 8.062 -13.982 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.729 5.664 -13.345 1.00 2.31 C ATOM 0 H VAL A 57 2.228 6.376 -12.982 1.00 2.42 H new ATOM 0 HA VAL A 57 2.927 7.586 -15.581 1.00 2.52 H new ATOM 0 HB VAL A 57 5.113 6.395 -15.310 1.00 2.52 H new ATOM 0 HG11 VAL A 57 6.074 7.987 -13.687 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.931 8.778 -14.798 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.434 8.399 -13.132 1.00 2.66 H new ATOM 0 HG21 VAL A 57 5.781 5.632 -13.062 1.00 2.31 H new ATOM 0 HG22 VAL A 57 4.128 5.933 -12.476 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.421 4.684 -13.710 1.00 2.31 H new ATOM 633 N PRO A 58 2.931 5.309 -16.833 1.00 2.60 N ATOM 634 CA PRO A 58 2.612 4.087 -17.572 1.00 2.59 C ATOM 635 C PRO A 58 3.505 2.921 -17.154 1.00 2.43 C ATOM 636 O PRO A 58 4.450 3.097 -16.382 1.00 2.41 O ATOM 637 CB PRO A 58 2.872 4.472 -19.029 1.00 2.86 C ATOM 638 CG PRO A 58 3.874 5.571 -18.960 1.00 2.93 C ATOM 639 CD PRO A 58 3.573 6.325 -17.693 1.00 2.84 C ATOM 0 HA PRO A 58 1.592 3.748 -17.390 1.00 2.59 H new ATOM 0 HB2 PRO A 58 3.253 3.625 -19.600 1.00 2.86 H new ATOM 0 HB3 PRO A 58 1.957 4.802 -19.520 1.00 2.86 H new ATOM 0 HG2 PRO A 58 4.889 5.174 -18.946 1.00 2.93 H new ATOM 0 HG3 PRO A 58 3.799 6.223 -19.830 1.00 2.93 H new ATOM 0 HD2 PRO A 58 4.480 6.722 -17.237 1.00 2.84 H new ATOM 0 HD3 PRO A 58 2.911 7.172 -17.877 1.00 2.84 H new ATOM 647 N MET A 59 3.219 1.742 -17.671 1.00 2.35 N ATOM 648 CA MET A 59 3.996 0.561 -17.336 1.00 2.23 C ATOM 649 C MET A 59 5.349 0.588 -18.037 1.00 2.37 C ATOM 650 O MET A 59 5.482 1.161 -19.122 1.00 2.52 O ATOM 651 CB MET A 59 3.231 -0.708 -17.716 1.00 2.17 C ATOM 652 CG MET A 59 3.725 -1.953 -16.997 1.00 2.10 C ATOM 653 SD MET A 59 3.689 -1.778 -15.201 1.00 1.99 S ATOM 654 CE MET A 59 4.342 -3.366 -14.694 1.00 1.73 C ATOM 0 H MET A 59 2.454 1.575 -18.325 1.00 2.35 H new ATOM 0 HA MET A 59 4.165 0.560 -16.259 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.174 -0.565 -17.494 1.00 2.17 H new ATOM 0 HB3 MET A 59 3.312 -0.863 -18.792 1.00 2.17 H new ATOM 0 HG2 MET A 59 3.109 -2.804 -17.288 1.00 2.10 H new ATOM 0 HG3 MET A 59 4.744 -2.172 -17.317 1.00 2.10 H new ATOM 0 HE1 MET A 59 4.382 -3.412 -13.606 1.00 1.73 H new ATOM 0 HE2 MET A 59 3.697 -4.161 -15.068 1.00 1.73 H new ATOM 0 HE3 MET A 59 5.346 -3.493 -15.100 1.00 1.73 H new ATOM 664 N ASN A 60 6.349 -0.005 -17.384 1.00 2.55 N ATOM 665 CA ASN A 60 7.715 -0.088 -17.911 1.00 2.74 C ATOM 666 C ASN A 60 8.410 1.268 -17.923 1.00 2.80 C ATOM 667 O ASN A 60 9.423 1.444 -18.600 1.00 2.93 O ATOM 668 CB ASN A 60 7.732 -0.696 -19.319 1.00 3.07 C ATOM 669 CG ASN A 60 7.527 -2.198 -19.308 1.00 3.37 C ATOM 670 OD1 ASN A 60 6.399 -2.682 -19.393 1.00 3.65 O ATOM 671 ND2 ASN A 60 8.613 -2.945 -19.199 1.00 3.50 N ATOM 0 H ASN A 60 6.235 -0.444 -16.470 1.00 2.55 H new ATOM 0 HA ASN A 60 8.267 -0.743 -17.237 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.951 -0.231 -19.921 1.00 3.07 H new ATOM 0 HB3 ASN A 60 8.684 -0.466 -19.798 1.00 3.07 H new ATOM 0 HD21 ASN A 60 8.533 -3.962 -19.183 1.00 3.50 H new ATOM 0 HD22 ASN A 60 9.530 -2.504 -19.131 1.00 3.50 H new ATOM 678 N SER A 61 7.874 2.224 -17.179 1.00 2.74 N ATOM 679 CA SER A 61 8.477 3.546 -17.106 1.00 2.82 C ATOM 680 C SER A 61 9.440 3.607 -15.926 1.00 2.72 C ATOM 681 O SER A 61 10.400 4.379 -15.924 1.00 2.87 O ATOM 682 CB SER A 61 7.399 4.621 -16.965 1.00 2.82 C ATOM 683 OG SER A 61 6.621 4.410 -15.798 1.00 2.71 O ATOM 0 H SER A 61 7.028 2.110 -16.621 1.00 2.74 H new ATOM 0 HA SER A 61 9.028 3.733 -18.028 1.00 2.82 H new ATOM 0 HB2 SER A 61 7.865 5.605 -16.923 1.00 2.82 H new ATOM 0 HB3 SER A 61 6.754 4.611 -17.843 1.00 2.82 H new ATOM 0 HG SER A 61 5.715 4.138 -16.054 1.00 2.71 H new ATOM 689 N LEU A 62 9.173 2.776 -14.924 1.00 2.52 N ATOM 690 CA LEU A 62 10.001 2.716 -13.732 1.00 2.44 C ATOM 691 C LEU A 62 10.556 1.311 -13.547 1.00 2.42 C ATOM 692 O LEU A 62 9.903 0.324 -13.891 1.00 2.36 O ATOM 693 CB LEU A 62 9.192 3.089 -12.482 1.00 2.21 C ATOM 694 CG LEU A 62 8.362 4.373 -12.569 1.00 2.26 C ATOM 695 CD1 LEU A 62 7.565 4.571 -11.289 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.254 5.575 -12.832 1.00 2.43 C ATOM 0 H LEU A 62 8.383 2.131 -14.918 1.00 2.52 H new ATOM 0 HA LEU A 62 10.817 3.428 -13.860 1.00 2.44 H new ATOM 0 HB2 LEU A 62 8.520 2.263 -12.250 1.00 2.21 H new ATOM 0 HB3 LEU A 62 9.882 3.184 -11.644 1.00 2.21 H new ATOM 0 HG LEU A 62 7.667 4.278 -13.403 1.00 2.26 H new ATOM 0 HD11 LEU A 62 6.979 5.487 -11.363 1.00 2.10 H new ATOM 0 HD12 LEU A 62 6.896 3.723 -11.142 1.00 2.10 H new ATOM 0 HD13 LEU A 62 8.248 4.645 -10.443 1.00 2.10 H new ATOM 0 HD21 LEU A 62 8.643 6.476 -12.890 1.00 2.43 H new ATOM 0 HD22 LEU A 62 9.975 5.677 -12.021 1.00 2.43 H new ATOM 0 HD23 LEU A 62 9.784 5.435 -13.774 1.00 2.43 H new ATOM 708 N ARG A 63 11.762 1.224 -13.017 1.00 2.50 N ATOM 709 CA ARG A 63 12.386 -0.058 -12.753 1.00 2.52 C ATOM 710 C ARG A 63 12.664 -0.180 -11.262 1.00 2.38 C ATOM 711 O ARG A 63 13.200 0.741 -10.642 1.00 2.41 O ATOM 712 CB ARG A 63 13.671 -0.243 -13.571 1.00 2.78 C ATOM 713 CG ARG A 63 14.762 0.775 -13.278 1.00 2.88 C ATOM 714 CD ARG A 63 16.033 0.450 -14.047 1.00 3.08 C ATOM 715 NE ARG A 63 17.107 1.404 -13.771 1.00 3.22 N ATOM 716 CZ ARG A 63 17.444 2.408 -14.581 1.00 3.35 C ATOM 717 NH1 ARG A 63 16.819 2.574 -15.739 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.425 3.231 -14.239 1.00 3.47 N ATOM 0 H ARG A 63 12.331 2.031 -12.760 1.00 2.50 H new ATOM 0 HA ARG A 63 11.703 -0.850 -13.060 1.00 2.52 H new ATOM 0 HB2 ARG A 63 14.065 -1.242 -13.383 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.421 -0.193 -14.631 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.415 1.773 -13.547 1.00 2.88 H new ATOM 0 HG3 ARG A 63 14.973 0.789 -12.209 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.366 -0.555 -13.786 1.00 3.08 H new ATOM 0 HD3 ARG A 63 15.818 0.447 -15.116 1.00 3.08 H new ATOM 0 HE ARG A 63 17.632 1.294 -12.903 1.00 3.22 H new ATOM 0 HH11 ARG A 63 16.076 1.932 -16.014 1.00 3.39 H new ATOM 0 HH12 ARG A 63 17.081 3.344 -16.354 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.920 3.096 -13.358 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.685 4.000 -14.857 1.00 3.47 H new ATOM 732 N PHE A 64 12.272 -1.304 -10.691 1.00 2.24 N ATOM 733 CA PHE A 64 12.454 -1.537 -9.269 1.00 2.11 C ATOM 734 C PHE A 64 13.673 -2.409 -9.020 1.00 2.29 C ATOM 735 O PHE A 64 13.864 -3.427 -9.684 1.00 2.40 O ATOM 736 CB PHE A 64 11.206 -2.196 -8.677 1.00 1.87 C ATOM 737 CG PHE A 64 9.972 -1.342 -8.763 1.00 1.69 C ATOM 738 CD1 PHE A 64 9.250 -1.256 -9.945 1.00 1.73 C ATOM 739 CD2 PHE A 64 9.534 -0.621 -7.663 1.00 1.54 C ATOM 740 CE1 PHE A 64 8.118 -0.471 -10.029 1.00 1.64 C ATOM 741 CE2 PHE A 64 8.400 0.166 -7.741 1.00 1.43 C ATOM 742 CZ PHE A 64 7.693 0.242 -8.927 1.00 1.49 C ATOM 0 H PHE A 64 11.824 -2.072 -11.191 1.00 2.24 H new ATOM 0 HA PHE A 64 12.612 -0.575 -8.781 1.00 2.11 H new ATOM 0 HB2 PHE A 64 11.022 -3.137 -9.196 1.00 1.87 H new ATOM 0 HB3 PHE A 64 11.396 -2.440 -7.632 1.00 1.87 H new ATOM 0 HD1 PHE A 64 9.579 -1.811 -10.811 1.00 1.73 H new ATOM 0 HD2 PHE A 64 10.084 -0.675 -6.735 1.00 1.54 H new ATOM 0 HE1 PHE A 64 7.566 -0.415 -10.956 1.00 1.64 H new ATOM 0 HE2 PHE A 64 8.067 0.721 -6.876 1.00 1.43 H new ATOM 0 HZ PHE A 64 6.809 0.859 -8.991 1.00 1.49 H new ATOM 752 N LEU A 65 14.489 -2.003 -8.063 1.00 2.35 N ATOM 753 CA LEU A 65 15.696 -2.739 -7.721 1.00 2.54 C ATOM 754 C LEU A 65 15.612 -3.278 -6.300 1.00 2.45 C ATOM 755 O LEU A 65 15.255 -2.557 -5.368 1.00 2.29 O ATOM 756 CB LEU A 65 16.932 -1.848 -7.871 1.00 2.77 C ATOM 757 CG LEU A 65 17.322 -1.511 -9.312 1.00 2.97 C ATOM 758 CD1 LEU A 65 18.423 -0.463 -9.332 1.00 3.16 C ATOM 759 CD2 LEU A 65 17.771 -2.761 -10.053 1.00 3.20 C ATOM 0 H LEU A 65 14.337 -1.163 -7.505 1.00 2.35 H new ATOM 0 HA LEU A 65 15.785 -3.580 -8.409 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.756 -0.917 -7.332 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.776 -2.341 -7.389 1.00 2.77 H new ATOM 0 HG LEU A 65 16.445 -1.107 -9.818 1.00 2.97 H new ATOM 0 HD11 LEU A 65 18.689 -0.234 -10.364 1.00 3.16 H new ATOM 0 HD12 LEU A 65 18.072 0.443 -8.839 1.00 3.16 H new ATOM 0 HD13 LEU A 65 19.299 -0.845 -8.808 1.00 3.16 H new ATOM 0 HD21 LEU A 65 18.044 -2.500 -11.075 1.00 3.20 H new ATOM 0 HD22 LEU A 65 18.634 -3.194 -9.547 1.00 3.20 H new ATOM 0 HD23 LEU A 65 16.958 -3.487 -10.069 1.00 3.20 H new ATOM 771 N PHE A 66 15.931 -4.550 -6.157 1.00 2.57 N ATOM 772 CA PHE A 66 15.911 -5.221 -4.873 1.00 2.54 C ATOM 773 C PHE A 66 17.177 -6.053 -4.727 1.00 2.84 C ATOM 774 O PHE A 66 17.392 -6.994 -5.491 1.00 2.97 O ATOM 775 CB PHE A 66 14.671 -6.112 -4.777 1.00 2.37 C ATOM 776 CG PHE A 66 14.547 -6.865 -3.485 1.00 2.35 C ATOM 777 CD1 PHE A 66 14.027 -6.249 -2.359 1.00 2.20 C ATOM 778 CD2 PHE A 66 14.940 -8.193 -3.397 1.00 2.54 C ATOM 779 CE1 PHE A 66 13.903 -6.940 -1.171 1.00 2.24 C ATOM 780 CE2 PHE A 66 14.819 -8.888 -2.209 1.00 2.56 C ATOM 781 CZ PHE A 66 14.299 -8.260 -1.096 1.00 2.42 C ATOM 0 H PHE A 66 16.213 -5.149 -6.933 1.00 2.57 H new ATOM 0 HA PHE A 66 15.872 -4.485 -4.069 1.00 2.54 H new ATOM 0 HB2 PHE A 66 13.783 -5.494 -4.910 1.00 2.37 H new ATOM 0 HB3 PHE A 66 14.688 -6.827 -5.600 1.00 2.37 H new ATOM 0 HD1 PHE A 66 13.715 -5.216 -2.411 1.00 2.20 H new ATOM 0 HD2 PHE A 66 15.345 -8.689 -4.267 1.00 2.54 H new ATOM 0 HE1 PHE A 66 13.496 -6.448 -0.300 1.00 2.24 H new ATOM 0 HE2 PHE A 66 15.131 -9.920 -2.152 1.00 2.56 H new ATOM 0 HZ PHE A 66 14.202 -8.801 -0.166 1.00 2.42 H new ATOM 791 N GLU A 67 18.026 -5.678 -3.772 1.00 2.95 N ATOM 792 CA GLU A 67 19.287 -6.379 -3.527 1.00 3.25 C ATOM 793 C GLU A 67 20.206 -6.282 -4.742 1.00 3.44 C ATOM 794 O GLU A 67 21.089 -7.116 -4.939 1.00 3.64 O ATOM 795 CB GLU A 67 19.027 -7.846 -3.177 1.00 3.32 C ATOM 796 CG GLU A 67 18.691 -8.081 -1.717 1.00 3.20 C ATOM 797 CD GLU A 67 19.918 -8.091 -0.827 1.00 3.33 C ATOM 798 OE1 GLU A 67 21.027 -8.372 -1.334 1.00 3.62 O ATOM 799 OE2 GLU A 67 19.781 -7.829 0.387 1.00 3.33 O ATOM 0 H GLU A 67 17.862 -4.886 -3.150 1.00 2.95 H new ATOM 0 HA GLU A 67 19.781 -5.900 -2.682 1.00 3.25 H new ATOM 0 HB2 GLU A 67 18.207 -8.216 -3.792 1.00 3.32 H new ATOM 0 HB3 GLU A 67 19.909 -8.432 -3.435 1.00 3.32 H new ATOM 0 HG2 GLU A 67 18.007 -7.304 -1.376 1.00 3.20 H new ATOM 0 HG3 GLU A 67 18.168 -9.032 -1.618 1.00 3.20 H new ATOM 806 N GLY A 68 19.982 -5.262 -5.559 1.00 3.41 N ATOM 807 CA GLY A 68 20.792 -5.064 -6.742 1.00 3.61 C ATOM 808 C GLY A 68 20.172 -5.683 -7.978 1.00 3.59 C ATOM 809 O GLY A 68 20.601 -5.412 -9.097 1.00 3.75 O ATOM 0 H GLY A 68 19.250 -4.565 -5.422 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.935 -3.996 -6.907 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.779 -5.496 -6.579 1.00 3.61 H new ATOM 813 N GLN A 69 19.159 -6.511 -7.783 1.00 3.41 N ATOM 814 CA GLN A 69 18.490 -7.169 -8.896 1.00 3.39 C ATOM 815 C GLN A 69 17.153 -6.496 -9.181 1.00 3.13 C ATOM 816 O GLN A 69 16.427 -6.137 -8.256 1.00 2.88 O ATOM 817 CB GLN A 69 18.276 -8.655 -8.588 1.00 3.42 C ATOM 818 CG GLN A 69 19.543 -9.381 -8.150 1.00 3.76 C ATOM 819 CD GLN A 69 20.638 -9.340 -9.200 1.00 4.25 C ATOM 820 OE1 GLN A 69 20.367 -9.300 -10.400 1.00 4.42 O ATOM 821 NE2 GLN A 69 21.883 -9.350 -8.754 1.00 4.67 N ATOM 0 H GLN A 69 18.781 -6.744 -6.865 1.00 3.41 H new ATOM 0 HA GLN A 69 19.123 -7.083 -9.779 1.00 3.39 H new ATOM 0 HB2 GLN A 69 17.525 -8.749 -7.804 1.00 3.42 H new ATOM 0 HB3 GLN A 69 17.875 -9.146 -9.475 1.00 3.42 H new ATOM 0 HG2 GLN A 69 19.913 -8.932 -7.228 1.00 3.76 H new ATOM 0 HG3 GLN A 69 19.301 -10.420 -7.924 1.00 3.76 H new ATOM 0 HE21 GLN A 69 22.065 -9.384 -7.751 1.00 4.67 H new ATOM 0 HE22 GLN A 69 22.661 -9.324 -9.413 1.00 4.67 H new ATOM 830 N ARG A 70 16.830 -6.312 -10.454 1.00 3.20 N ATOM 831 CA ARG A 70 15.572 -5.674 -10.820 1.00 2.98 C ATOM 832 C ARG A 70 14.409 -6.648 -10.647 1.00 2.82 C ATOM 833 O ARG A 70 14.538 -7.849 -10.905 1.00 2.96 O ATOM 834 CB ARG A 70 15.627 -5.118 -12.251 1.00 3.12 C ATOM 835 CG ARG A 70 15.541 -6.168 -13.344 1.00 3.34 C ATOM 836 CD ARG A 70 15.645 -5.537 -14.725 1.00 3.51 C ATOM 837 NE ARG A 70 14.518 -4.645 -15.017 1.00 3.29 N ATOM 838 CZ ARG A 70 14.605 -3.547 -15.775 1.00 3.31 C ATOM 839 NH1 ARG A 70 15.756 -3.214 -16.350 1.00 3.55 N ATOM 840 NH2 ARG A 70 13.534 -2.790 -15.968 1.00 3.17 N ATOM 0 H ARG A 70 17.413 -6.592 -11.243 1.00 3.20 H new ATOM 0 HA ARG A 70 15.410 -4.830 -10.150 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.810 -4.409 -12.382 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.555 -4.560 -12.374 1.00 3.12 H new ATOM 0 HG2 ARG A 70 16.340 -6.898 -13.214 1.00 3.34 H new ATOM 0 HG3 ARG A 70 14.598 -6.709 -13.259 1.00 3.34 H new ATOM 0 HD2 ARG A 70 16.577 -4.976 -14.796 1.00 3.51 H new ATOM 0 HD3 ARG A 70 15.688 -6.323 -15.479 1.00 3.51 H new ATOM 0 HE ARG A 70 13.609 -4.877 -14.616 1.00 3.29 H new ATOM 0 HH11 ARG A 70 16.581 -3.798 -16.215 1.00 3.55 H new ATOM 0 HH12 ARG A 70 15.814 -2.375 -16.927 1.00 3.55 H new ATOM 0 HH21 ARG A 70 12.645 -3.045 -15.538 1.00 3.17 H new ATOM 0 HH22 ARG A 70 13.599 -1.952 -16.546 1.00 3.17 H new ATOM 854 N ILE A 71 13.283 -6.125 -10.188 1.00 2.55 N ATOM 855 CA ILE A 71 12.096 -6.932 -9.953 1.00 2.38 C ATOM 856 C ILE A 71 11.391 -7.294 -11.254 1.00 2.44 C ATOM 857 O ILE A 71 10.923 -6.422 -11.989 1.00 2.40 O ATOM 858 CB ILE A 71 11.102 -6.204 -9.021 1.00 2.07 C ATOM 859 CG1 ILE A 71 11.739 -5.955 -7.651 1.00 2.04 C ATOM 860 CG2 ILE A 71 9.815 -7.002 -8.869 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.157 -7.219 -6.928 1.00 2.17 C ATOM 0 H ILE A 71 13.166 -5.136 -9.969 1.00 2.55 H new ATOM 0 HA ILE A 71 12.434 -7.850 -9.473 1.00 2.38 H new ATOM 0 HB ILE A 71 10.855 -5.243 -9.472 1.00 2.07 H new ATOM 0 HG12 ILE A 71 12.613 -5.316 -7.779 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.032 -5.408 -7.027 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.132 -6.468 -8.208 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.349 -7.130 -9.846 1.00 1.92 H new ATOM 0 HG23 ILE A 71 10.041 -7.980 -8.444 1.00 1.92 H new ATOM 0 HD11 ILE A 71 12.599 -6.959 -5.966 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.284 -7.852 -6.767 1.00 2.17 H new ATOM 0 HD13 ILE A 71 12.889 -7.757 -7.530 1.00 2.17 H new ATOM 873 N ALA A 72 11.322 -8.587 -11.528 1.00 2.56 N ATOM 874 CA ALA A 72 10.661 -9.084 -12.721 1.00 2.64 C ATOM 875 C ALA A 72 9.188 -9.330 -12.425 1.00 2.42 C ATOM 876 O ALA A 72 8.809 -9.522 -11.270 1.00 2.27 O ATOM 877 CB ALA A 72 11.331 -10.361 -13.196 1.00 2.89 C ATOM 0 H ALA A 72 11.719 -9.315 -10.934 1.00 2.56 H new ATOM 0 HA ALA A 72 10.741 -8.340 -13.514 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.827 -10.725 -14.091 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.377 -10.159 -13.425 1.00 2.89 H new ATOM 0 HB3 ALA A 72 11.270 -11.117 -12.413 1.00 2.89 H new ATOM 883 N ASP A 73 8.361 -9.334 -13.463 1.00 2.44 N ATOM 884 CA ASP A 73 6.924 -9.553 -13.300 1.00 2.28 C ATOM 885 C ASP A 73 6.647 -10.979 -12.850 1.00 2.31 C ATOM 886 O ASP A 73 5.668 -11.252 -12.150 1.00 2.17 O ATOM 887 CB ASP A 73 6.181 -9.267 -14.610 1.00 2.32 C ATOM 888 CG ASP A 73 6.081 -7.786 -14.921 1.00 2.24 C ATOM 889 OD1 ASP A 73 6.585 -6.965 -14.125 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.507 -7.434 -15.973 1.00 2.18 O ATOM 0 H ASP A 73 8.658 -9.188 -14.428 1.00 2.44 H new ATOM 0 HA ASP A 73 6.563 -8.866 -12.534 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.693 -9.771 -15.430 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.178 -9.690 -14.553 1.00 2.32 H new ATOM 895 N ASN A 74 7.528 -11.886 -13.242 1.00 2.53 N ATOM 896 CA ASN A 74 7.396 -13.295 -12.885 1.00 2.61 C ATOM 897 C ASN A 74 7.949 -13.564 -11.488 1.00 2.56 C ATOM 898 O ASN A 74 7.846 -14.676 -10.978 1.00 2.62 O ATOM 899 CB ASN A 74 8.126 -14.171 -13.908 1.00 2.89 C ATOM 900 CG ASN A 74 9.572 -13.757 -14.104 1.00 3.10 C ATOM 901 OD1 ASN A 74 9.867 -12.869 -14.903 1.00 3.20 O ATOM 902 ND2 ASN A 74 10.483 -14.394 -13.387 1.00 3.29 N ATOM 0 H ASN A 74 8.347 -11.673 -13.811 1.00 2.53 H new ATOM 0 HA ASN A 74 6.335 -13.543 -12.888 1.00 2.61 H new ATOM 0 HB2 ASN A 74 8.091 -15.210 -13.582 1.00 2.89 H new ATOM 0 HB3 ASN A 74 7.604 -14.119 -14.864 1.00 2.89 H new ATOM 0 HD21 ASN A 74 11.469 -14.154 -13.486 1.00 3.29 H new ATOM 0 HD22 ASN A 74 10.199 -15.125 -12.735 1.00 3.29 H new ATOM 909 N HIS A 75 8.527 -12.543 -10.871 1.00 2.48 N ATOM 910 CA HIS A 75 9.096 -12.688 -9.539 1.00 2.46 C ATOM 911 C HIS A 75 8.016 -12.581 -8.467 1.00 2.21 C ATOM 912 O HIS A 75 7.040 -11.841 -8.617 1.00 2.00 O ATOM 913 CB HIS A 75 10.179 -11.632 -9.289 1.00 2.47 C ATOM 914 CG HIS A 75 11.534 -12.004 -9.813 1.00 2.75 C ATOM 915 ND1 HIS A 75 12.679 -11.278 -9.559 1.00 3.12 N ATOM 916 CD2 HIS A 75 11.918 -13.047 -10.590 1.00 2.97 C ATOM 917 CE1 HIS A 75 13.699 -11.889 -10.175 1.00 3.27 C ATOM 918 NE2 HIS A 75 13.289 -12.969 -10.813 1.00 3.17 N ATOM 0 H HIS A 75 8.614 -11.608 -11.270 1.00 2.48 H new ATOM 0 HA HIS A 75 9.549 -13.678 -9.482 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.869 -10.694 -9.749 1.00 2.47 H new ATOM 0 HB3 HIS A 75 10.254 -11.451 -8.217 1.00 2.47 H new ATOM 0 HD2 HIS A 75 11.264 -13.816 -10.974 1.00 2.97 H new ATOM 0 HE1 HIS A 75 14.722 -11.544 -10.153 1.00 3.27 H new ATOM 0 HE2 HIS A 75 13.860 -13.615 -11.358 1.00 3.17 H new ATOM 926 N THR A 76 8.192 -13.338 -7.402 1.00 2.27 N ATOM 927 CA THR A 76 7.268 -13.338 -6.282 1.00 2.09 C ATOM 928 C THR A 76 8.032 -13.099 -4.986 1.00 2.05 C ATOM 929 O THR A 76 9.249 -13.284 -4.948 1.00 2.19 O ATOM 930 CB THR A 76 6.510 -14.678 -6.178 1.00 2.22 C ATOM 931 OG1 THR A 76 7.431 -15.777 -6.256 1.00 2.32 O ATOM 932 CG2 THR A 76 5.467 -14.803 -7.275 1.00 2.53 C ATOM 0 H THR A 76 8.982 -13.973 -7.287 1.00 2.27 H new ATOM 0 HA THR A 76 6.543 -12.541 -6.447 1.00 2.09 H new ATOM 0 HB THR A 76 6.001 -14.702 -5.214 1.00 2.22 H new ATOM 0 HG1 THR A 76 7.923 -15.732 -7.102 1.00 2.32 H new ATOM 0 HG21 THR A 76 4.948 -15.757 -7.177 1.00 2.53 H new ATOM 0 HG22 THR A 76 4.748 -13.988 -7.188 1.00 2.53 H new ATOM 0 HG23 THR A 76 5.955 -14.754 -8.248 1.00 2.53 H new ATOM 940 N PRO A 77 7.343 -12.683 -3.908 1.00 1.92 N ATOM 941 CA PRO A 77 7.985 -12.449 -2.605 1.00 1.92 C ATOM 942 C PRO A 77 8.532 -13.741 -1.998 1.00 2.13 C ATOM 943 O PRO A 77 9.279 -13.717 -1.018 1.00 2.21 O ATOM 944 CB PRO A 77 6.853 -11.890 -1.733 1.00 1.76 C ATOM 945 CG PRO A 77 5.791 -11.461 -2.690 1.00 1.66 C ATOM 946 CD PRO A 77 5.904 -12.381 -3.868 1.00 1.81 C ATOM 0 HA PRO A 77 8.840 -11.779 -2.689 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.478 -12.646 -1.043 1.00 1.76 H new ATOM 0 HB3 PRO A 77 7.200 -11.052 -1.129 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.803 -11.530 -2.234 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.932 -10.423 -2.990 1.00 1.66 H new ATOM 0 HD2 PRO A 77 5.305 -13.282 -3.736 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.565 -11.904 -4.788 1.00 1.81 H new ATOM 954 N LYS A 78 8.147 -14.870 -2.592 1.00 2.23 N ATOM 955 CA LYS A 78 8.590 -16.181 -2.133 1.00 2.44 C ATOM 956 C LYS A 78 10.066 -16.388 -2.465 1.00 2.61 C ATOM 957 O LYS A 78 10.809 -17.001 -1.695 1.00 2.76 O ATOM 958 CB LYS A 78 7.742 -17.278 -2.784 1.00 2.48 C ATOM 959 CG LYS A 78 8.133 -18.688 -2.368 1.00 2.66 C ATOM 960 CD LYS A 78 7.718 -18.998 -0.939 1.00 2.76 C ATOM 961 CE LYS A 78 6.227 -19.274 -0.840 1.00 2.73 C ATOM 962 NZ LYS A 78 5.811 -19.581 0.552 1.00 2.92 N ATOM 0 H LYS A 78 7.524 -14.900 -3.399 1.00 2.23 H new ATOM 0 HA LYS A 78 8.467 -16.235 -1.051 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.695 -17.112 -2.531 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.825 -17.193 -3.867 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.669 -19.407 -3.044 1.00 2.66 H new ATOM 0 HG3 LYS A 78 9.212 -18.808 -2.466 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.274 -19.863 -0.577 1.00 2.76 H new ATOM 0 HD3 LYS A 78 7.978 -18.159 -0.293 1.00 2.76 H new ATOM 0 HE2 LYS A 78 5.673 -18.408 -1.202 1.00 2.73 H new ATOM 0 HE3 LYS A 78 5.969 -20.111 -1.489 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 4.787 -19.763 0.576 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 6.320 -20.423 0.889 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 6.033 -18.772 1.167 1.00 2.92 H new ATOM 976 N GLU A 79 10.482 -15.871 -3.612 1.00 2.62 N ATOM 977 CA GLU A 79 11.866 -15.986 -4.039 1.00 2.81 C ATOM 978 C GLU A 79 12.612 -14.703 -3.692 1.00 2.76 C ATOM 979 O GLU A 79 12.027 -13.797 -3.087 1.00 2.60 O ATOM 980 CB GLU A 79 11.949 -16.286 -5.542 1.00 2.89 C ATOM 981 CG GLU A 79 11.332 -15.213 -6.423 1.00 2.73 C ATOM 982 CD GLU A 79 10.733 -15.776 -7.694 1.00 2.84 C ATOM 983 OE1 GLU A 79 11.483 -16.351 -8.511 1.00 3.18 O ATOM 984 OE2 GLU A 79 9.505 -15.654 -7.874 1.00 2.70 O ATOM 0 H GLU A 79 9.879 -15.368 -4.263 1.00 2.62 H new ATOM 0 HA GLU A 79 12.335 -16.818 -3.514 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.996 -16.411 -5.819 1.00 2.89 H new ATOM 0 HB3 GLU A 79 11.451 -17.235 -5.740 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.558 -14.689 -5.862 1.00 2.73 H new ATOM 0 HG3 GLU A 79 12.094 -14.477 -6.680 1.00 2.73 H new ATOM 991 N LEU A 80 13.898 -14.645 -4.049 1.00 2.91 N ATOM 992 CA LEU A 80 14.755 -13.482 -3.778 1.00 2.90 C ATOM 993 C LEU A 80 15.128 -13.413 -2.298 1.00 2.89 C ATOM 994 O LEU A 80 16.301 -13.281 -1.949 1.00 3.04 O ATOM 995 CB LEU A 80 14.085 -12.170 -4.216 1.00 2.74 C ATOM 996 CG LEU A 80 13.842 -12.033 -5.720 1.00 2.80 C ATOM 997 CD1 LEU A 80 12.746 -11.013 -5.992 1.00 2.70 C ATOM 998 CD2 LEU A 80 15.124 -11.634 -6.429 1.00 2.94 C ATOM 0 H LEU A 80 14.377 -15.403 -4.535 1.00 2.91 H new ATOM 0 HA LEU A 80 15.665 -13.608 -4.364 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.129 -12.079 -3.700 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.705 -11.336 -3.887 1.00 2.74 H new ATOM 0 HG LEU A 80 13.518 -12.999 -6.107 1.00 2.80 H new ATOM 0 HD11 LEU A 80 12.586 -10.928 -7.067 1.00 2.70 H new ATOM 0 HD12 LEU A 80 11.822 -11.335 -5.512 1.00 2.70 H new ATOM 0 HD13 LEU A 80 13.044 -10.044 -5.592 1.00 2.70 H new ATOM 0 HD21 LEU A 80 14.934 -11.541 -7.498 1.00 2.94 H new ATOM 0 HD22 LEU A 80 15.474 -10.679 -6.038 1.00 2.94 H new ATOM 0 HD23 LEU A 80 15.885 -12.396 -6.261 1.00 2.94 H new ATOM 1010 N GLY A 81 14.127 -13.515 -1.433 1.00 2.76 N ATOM 1011 CA GLY A 81 14.367 -13.470 -0.007 1.00 2.76 C ATOM 1012 C GLY A 81 13.822 -12.208 0.623 1.00 2.56 C ATOM 1013 O GLY A 81 14.534 -11.514 1.350 1.00 2.57 O ATOM 0 H GLY A 81 13.148 -13.629 -1.697 1.00 2.76 H new ATOM 0 HA2 GLY A 81 13.907 -14.338 0.465 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.439 -13.535 0.182 1.00 2.76 H new ATOM 1017 N MET A 82 12.561 -11.910 0.343 1.00 2.41 N ATOM 1018 CA MET A 82 11.915 -10.722 0.883 1.00 2.23 C ATOM 1019 C MET A 82 11.520 -10.936 2.337 1.00 2.23 C ATOM 1020 O MET A 82 11.024 -12.002 2.707 1.00 2.28 O ATOM 1021 CB MET A 82 10.683 -10.354 0.055 1.00 2.05 C ATOM 1022 CG MET A 82 11.010 -9.545 -1.188 1.00 2.27 C ATOM 1023 SD MET A 82 9.539 -8.966 -2.055 1.00 2.05 S ATOM 1024 CE MET A 82 10.262 -7.748 -3.149 1.00 2.01 C ATOM 0 H MET A 82 11.963 -12.477 -0.258 1.00 2.41 H new ATOM 0 HA MET A 82 12.629 -9.900 0.833 1.00 2.23 H new ATOM 0 HB2 MET A 82 10.167 -11.268 -0.241 1.00 2.05 H new ATOM 0 HB3 MET A 82 9.992 -9.786 0.678 1.00 2.05 H new ATOM 0 HG2 MET A 82 11.621 -8.687 -0.907 1.00 2.27 H new ATOM 0 HG3 MET A 82 11.608 -10.155 -1.865 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.479 -7.295 -3.757 1.00 2.01 H new ATOM 0 HE2 MET A 82 10.755 -6.976 -2.559 1.00 2.01 H new ATOM 0 HE3 MET A 82 10.992 -8.230 -3.799 1.00 2.01 H new ATOM 1034 N GLU A 83 11.759 -9.926 3.161 1.00 2.20 N ATOM 1035 CA GLU A 83 11.430 -9.998 4.574 1.00 2.22 C ATOM 1036 C GLU A 83 10.490 -8.859 4.962 1.00 2.07 C ATOM 1037 O GLU A 83 10.198 -7.982 4.148 1.00 1.91 O ATOM 1038 CB GLU A 83 12.709 -9.953 5.415 1.00 2.42 C ATOM 1039 CG GLU A 83 13.789 -10.896 4.909 1.00 2.73 C ATOM 1040 CD GLU A 83 15.056 -10.845 5.735 1.00 2.98 C ATOM 1041 OE1 GLU A 83 15.420 -9.743 6.199 1.00 2.89 O ATOM 1042 OE2 GLU A 83 15.686 -11.900 5.936 1.00 3.44 O ATOM 0 H GLU A 83 12.182 -9.044 2.872 1.00 2.20 H new ATOM 0 HA GLU A 83 10.920 -10.942 4.768 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.098 -8.935 5.420 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.467 -10.207 6.447 1.00 2.42 H new ATOM 0 HG2 GLU A 83 13.403 -11.915 4.910 1.00 2.73 H new ATOM 0 HG3 GLU A 83 14.026 -10.646 3.875 1.00 2.73 H new ATOM 1049 N GLU A 84 10.019 -8.885 6.203 1.00 2.15 N ATOM 1050 CA GLU A 84 9.109 -7.862 6.705 1.00 2.07 C ATOM 1051 C GLU A 84 9.788 -6.495 6.732 1.00 2.08 C ATOM 1052 O GLU A 84 10.889 -6.354 7.272 1.00 2.22 O ATOM 1053 CB GLU A 84 8.620 -8.236 8.107 1.00 2.20 C ATOM 1054 CG GLU A 84 7.732 -7.182 8.750 1.00 2.18 C ATOM 1055 CD GLU A 84 6.366 -7.092 8.104 1.00 2.10 C ATOM 1056 OE1 GLU A 84 6.274 -6.528 6.990 1.00 2.01 O ATOM 1057 OE2 GLU A 84 5.391 -7.590 8.699 1.00 2.34 O ATOM 0 H GLU A 84 10.254 -9.608 6.884 1.00 2.15 H new ATOM 0 HA GLU A 84 8.253 -7.805 6.032 1.00 2.07 H new ATOM 0 HB2 GLU A 84 8.070 -9.176 8.051 1.00 2.20 H new ATOM 0 HB3 GLU A 84 9.484 -8.410 8.748 1.00 2.20 H new ATOM 0 HG2 GLU A 84 7.614 -7.410 9.809 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.224 -6.211 8.686 1.00 2.18 H new ATOM 1064 N GLU A 85 9.125 -5.501 6.150 1.00 1.98 N ATOM 1065 CA GLU A 85 9.643 -4.135 6.087 1.00 2.01 C ATOM 1066 C GLU A 85 10.994 -4.098 5.380 1.00 2.02 C ATOM 1067 O GLU A 85 11.965 -3.521 5.881 1.00 2.18 O ATOM 1068 CB GLU A 85 9.746 -3.515 7.487 1.00 2.22 C ATOM 1069 CG GLU A 85 8.393 -3.304 8.147 1.00 2.32 C ATOM 1070 CD GLU A 85 8.426 -2.276 9.257 1.00 2.36 C ATOM 1071 OE1 GLU A 85 9.526 -1.823 9.634 1.00 2.55 O ATOM 1072 OE2 GLU A 85 7.339 -1.917 9.762 1.00 2.47 O ATOM 0 H GLU A 85 8.213 -5.618 5.708 1.00 1.98 H new ATOM 0 HA GLU A 85 8.938 -3.539 5.508 1.00 2.01 H new ATOM 0 HB2 GLU A 85 10.355 -4.160 8.120 1.00 2.22 H new ATOM 0 HB3 GLU A 85 10.263 -2.558 7.417 1.00 2.22 H new ATOM 0 HG2 GLU A 85 7.672 -2.991 7.392 1.00 2.32 H new ATOM 0 HG3 GLU A 85 8.040 -4.253 8.550 1.00 2.32 H new ATOM 1079 N ASP A 86 11.051 -4.733 4.217 1.00 1.90 N ATOM 1080 CA ASP A 86 12.276 -4.772 3.428 1.00 1.96 C ATOM 1081 C ASP A 86 12.454 -3.463 2.665 1.00 1.88 C ATOM 1082 O ASP A 86 11.607 -2.577 2.741 1.00 1.79 O ATOM 1083 CB ASP A 86 12.264 -5.955 2.461 1.00 1.93 C ATOM 1084 CG ASP A 86 13.640 -6.565 2.293 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.597 -5.813 2.010 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.777 -7.797 2.455 1.00 2.28 O ATOM 0 H ASP A 86 10.264 -5.228 3.799 1.00 1.90 H new ATOM 0 HA ASP A 86 13.118 -4.899 4.109 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.573 -6.715 2.826 1.00 1.93 H new ATOM 0 HB3 ASP A 86 11.892 -5.626 1.491 1.00 1.93 H new ATOM 1091 N VAL A 87 13.544 -3.344 1.925 1.00 1.97 N ATOM 1092 CA VAL A 87 13.823 -2.130 1.174 1.00 1.94 C ATOM 1093 C VAL A 87 13.870 -2.408 -0.326 1.00 1.94 C ATOM 1094 O VAL A 87 14.517 -3.355 -0.772 1.00 2.10 O ATOM 1095 CB VAL A 87 15.157 -1.489 1.629 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.575 -0.360 0.698 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.042 -0.983 3.058 1.00 2.19 C ATOM 0 H VAL A 87 14.251 -4.073 1.828 1.00 1.97 H new ATOM 0 HA VAL A 87 13.011 -1.431 1.374 1.00 1.94 H new ATOM 0 HB VAL A 87 15.928 -2.258 1.589 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.515 0.069 1.045 1.00 2.18 H new ATOM 0 HG12 VAL A 87 15.705 -0.750 -0.311 1.00 2.18 H new ATOM 0 HG13 VAL A 87 14.805 0.411 0.693 1.00 2.18 H new ATOM 0 HG21 VAL A 87 15.988 -0.535 3.363 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.251 -0.235 3.117 1.00 2.19 H new ATOM 0 HG23 VAL A 87 14.804 -1.815 3.721 1.00 2.19 H new ATOM 1107 N ILE A 88 13.170 -1.582 -1.093 1.00 1.78 N ATOM 1108 CA ILE A 88 13.129 -1.712 -2.540 1.00 1.80 C ATOM 1109 C ILE A 88 13.312 -0.330 -3.178 1.00 1.86 C ATOM 1110 O ILE A 88 12.694 0.644 -2.755 1.00 1.79 O ATOM 1111 CB ILE A 88 11.803 -2.371 -3.008 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.780 -2.527 -4.530 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.597 -1.576 -2.529 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.630 -3.378 -5.027 1.00 1.52 C ATOM 0 H ILE A 88 12.617 -0.806 -0.729 1.00 1.78 H new ATOM 0 HA ILE A 88 13.942 -2.364 -2.860 1.00 1.80 H new ATOM 0 HB ILE A 88 11.748 -3.364 -2.563 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.717 -1.540 -4.989 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.720 -2.972 -4.857 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.683 -2.061 -2.871 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.599 -1.533 -1.440 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.644 -0.564 -2.932 1.00 1.44 H new ATOM 0 HD11 ILE A 88 10.672 -3.448 -6.114 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.703 -4.376 -4.596 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.685 -2.923 -4.729 1.00 1.52 H new ATOM 1126 N GLU A 89 14.188 -0.240 -4.165 1.00 2.04 N ATOM 1127 CA GLU A 89 14.462 1.035 -4.826 1.00 2.14 C ATOM 1128 C GLU A 89 13.686 1.165 -6.129 1.00 2.11 C ATOM 1129 O GLU A 89 13.375 0.167 -6.779 1.00 2.11 O ATOM 1130 CB GLU A 89 15.957 1.172 -5.113 1.00 2.41 C ATOM 1131 CG GLU A 89 16.811 1.330 -3.868 1.00 2.43 C ATOM 1132 CD GLU A 89 18.276 1.067 -4.142 1.00 2.68 C ATOM 1133 OE1 GLU A 89 18.970 1.991 -4.613 1.00 2.90 O ATOM 1134 OE2 GLU A 89 18.746 -0.062 -3.880 1.00 2.87 O ATOM 0 H GLU A 89 14.722 -1.029 -4.529 1.00 2.04 H new ATOM 0 HA GLU A 89 14.142 1.829 -4.152 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.293 0.293 -5.663 1.00 2.41 H new ATOM 0 HB3 GLU A 89 16.115 2.034 -5.762 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.692 2.339 -3.474 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.458 0.644 -3.098 1.00 2.43 H new ATOM 1141 N VAL A 90 13.381 2.399 -6.504 1.00 2.12 N ATOM 1142 CA VAL A 90 12.657 2.668 -7.734 1.00 2.12 C ATOM 1143 C VAL A 90 13.360 3.762 -8.536 1.00 2.32 C ATOM 1144 O VAL A 90 13.664 4.836 -8.016 1.00 2.36 O ATOM 1145 CB VAL A 90 11.186 3.067 -7.461 1.00 1.93 C ATOM 1146 CG1 VAL A 90 11.098 4.292 -6.562 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.437 3.304 -8.766 1.00 1.94 C ATOM 0 H VAL A 90 13.626 3.233 -5.970 1.00 2.12 H new ATOM 0 HA VAL A 90 12.647 1.747 -8.316 1.00 2.12 H new ATOM 0 HB VAL A 90 10.713 2.236 -6.938 1.00 1.93 H new ATOM 0 HG11 VAL A 90 10.051 4.544 -6.391 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.580 4.079 -5.608 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.600 5.132 -7.042 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.406 3.583 -8.548 1.00 1.94 H new ATOM 0 HG22 VAL A 90 10.920 4.107 -9.322 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.448 2.392 -9.363 1.00 1.94 H new ATOM 1157 N TYR A 91 13.639 3.468 -9.795 1.00 2.46 N ATOM 1158 CA TYR A 91 14.304 4.419 -10.676 1.00 2.66 C ATOM 1159 C TYR A 91 13.562 4.501 -12.000 1.00 2.72 C ATOM 1160 O TYR A 91 12.799 3.601 -12.344 1.00 2.67 O ATOM 1161 CB TYR A 91 15.761 4.005 -10.908 1.00 2.86 C ATOM 1162 CG TYR A 91 16.606 4.028 -9.653 1.00 2.85 C ATOM 1163 CD1 TYR A 91 17.126 5.219 -9.166 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.884 2.859 -8.957 1.00 2.82 C ATOM 1165 CE1 TYR A 91 17.898 5.245 -8.023 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.657 2.877 -7.811 1.00 2.84 C ATOM 1167 CZ TYR A 91 18.161 4.072 -7.349 1.00 2.89 C ATOM 1168 OH TYR A 91 18.938 4.096 -6.211 1.00 2.94 O ATOM 0 H TYR A 91 13.415 2.575 -10.233 1.00 2.46 H new ATOM 0 HA TYR A 91 14.297 5.401 -10.204 1.00 2.66 H new ATOM 0 HB2 TYR A 91 15.781 3.001 -11.331 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.206 4.671 -11.647 1.00 2.86 H new ATOM 0 HD1 TYR A 91 16.923 6.141 -9.691 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.490 1.920 -9.317 1.00 2.82 H new ATOM 0 HE1 TYR A 91 18.295 6.181 -7.658 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.864 1.959 -7.281 1.00 2.84 H new ATOM 0 HH TYR A 91 18.948 3.205 -5.803 1.00 2.94 H new ATOM 1178 N GLN A 92 13.783 5.574 -12.742 1.00 2.84 N ATOM 1179 CA GLN A 92 13.117 5.748 -14.024 1.00 2.93 C ATOM 1180 C GLN A 92 13.888 5.051 -15.137 1.00 3.14 C ATOM 1181 O GLN A 92 15.118 5.006 -15.121 1.00 3.31 O ATOM 1182 CB GLN A 92 12.960 7.230 -14.351 1.00 3.07 C ATOM 1183 CG GLN A 92 11.783 7.889 -13.650 1.00 3.13 C ATOM 1184 CD GLN A 92 11.528 9.305 -14.122 1.00 3.36 C ATOM 1185 OE1 GLN A 92 11.890 9.596 -15.360 1.00 3.44 O flip ATOM 1186 NE2 GLN A 92 11.006 10.134 -13.375 1.00 3.63 N flip ATOM 0 H GLN A 92 14.413 6.333 -12.482 1.00 2.84 H new ATOM 0 HA GLN A 92 12.128 5.295 -13.950 1.00 2.93 H new ATOM 0 HB2 GLN A 92 13.875 7.753 -14.074 1.00 3.07 H new ATOM 0 HB3 GLN A 92 12.840 7.345 -15.428 1.00 3.07 H new ATOM 0 HG2 GLN A 92 10.887 7.290 -13.816 1.00 3.13 H new ATOM 0 HG3 GLN A 92 11.966 7.898 -12.576 1.00 3.13 H new ATOM 0 HE21 GLN A 92 10.741 9.870 -12.426 1.00 3.63 H new ATOM 0 HE22 GLN A 92 10.839 11.084 -13.705 1.00 3.63 H new ATOM 1195 N GLU A 93 13.162 4.520 -16.105 1.00 3.15 N ATOM 1196 CA GLU A 93 13.773 3.829 -17.225 1.00 3.36 C ATOM 1197 C GLU A 93 14.187 4.813 -18.310 1.00 3.61 C ATOM 1198 O GLU A 93 13.414 5.696 -18.689 1.00 3.61 O ATOM 1199 CB GLU A 93 12.803 2.801 -17.802 1.00 3.31 C ATOM 1200 CG GLU A 93 12.683 1.542 -16.960 1.00 3.20 C ATOM 1201 CD GLU A 93 13.843 0.593 -17.161 1.00 3.30 C ATOM 1202 OE1 GLU A 93 15.007 1.018 -16.996 1.00 3.36 O ATOM 1203 OE2 GLU A 93 13.597 -0.590 -17.480 1.00 3.35 O ATOM 0 H GLU A 93 12.143 4.555 -16.137 1.00 3.15 H new ATOM 0 HA GLU A 93 14.665 3.318 -16.862 1.00 3.36 H new ATOM 0 HB2 GLU A 93 11.818 3.258 -17.901 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.130 2.528 -18.805 1.00 3.31 H new ATOM 0 HG2 GLU A 93 12.623 1.818 -15.907 1.00 3.20 H new ATOM 0 HG3 GLU A 93 11.753 1.031 -17.209 1.00 3.20 H new ATOM 1210 N GLN A 94 15.406 4.652 -18.801 1.00 3.83 N ATOM 1211 CA GLN A 94 15.938 5.510 -19.853 1.00 4.09 C ATOM 1212 C GLN A 94 15.138 5.330 -21.140 1.00 4.17 C ATOM 1213 O GLN A 94 15.012 6.254 -21.943 1.00 4.33 O ATOM 1214 CB GLN A 94 17.420 5.191 -20.085 1.00 4.34 C ATOM 1215 CG GLN A 94 17.989 5.752 -21.376 1.00 4.61 C ATOM 1216 CD GLN A 94 19.434 5.353 -21.586 1.00 4.80 C ATOM 1217 OE1 GLN A 94 19.721 4.243 -22.035 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.351 6.249 -21.269 1.00 4.92 N ATOM 0 H GLN A 94 16.052 3.929 -18.485 1.00 3.83 H new ATOM 0 HA GLN A 94 15.850 6.551 -19.542 1.00 4.09 H new ATOM 0 HB2 GLN A 94 17.998 5.582 -19.248 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.550 4.109 -20.085 1.00 4.34 H new ATOM 0 HG2 GLN A 94 17.391 5.401 -22.217 1.00 4.61 H new ATOM 0 HG3 GLN A 94 17.913 6.839 -21.362 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.070 7.157 -20.900 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.340 6.033 -21.393 1.00 4.92 H new ATOM 1227 N THR A 95 14.571 4.142 -21.318 1.00 4.08 N ATOM 1228 CA THR A 95 13.776 3.838 -22.497 1.00 4.17 C ATOM 1229 C THR A 95 12.471 4.636 -22.513 1.00 4.00 C ATOM 1230 O THR A 95 11.806 4.737 -23.546 1.00 4.17 O ATOM 1231 CB THR A 95 13.450 2.339 -22.548 1.00 4.11 C ATOM 1232 OG1 THR A 95 14.085 1.677 -21.444 1.00 3.88 O ATOM 1233 CG2 THR A 95 13.916 1.724 -23.857 1.00 4.41 C ATOM 0 H THR A 95 14.649 3.371 -20.655 1.00 4.08 H new ATOM 0 HA THR A 95 14.366 4.118 -23.370 1.00 4.17 H new ATOM 0 HB THR A 95 12.369 2.215 -22.482 1.00 4.11 H new ATOM 0 HG1 THR A 95 13.877 0.720 -21.473 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.673 0.662 -23.867 1.00 4.41 H new ATOM 0 HG22 THR A 95 13.416 2.218 -24.690 1.00 4.41 H new ATOM 0 HG23 THR A 95 14.994 1.850 -23.955 1.00 4.41 H new ATOM 1241 N GLY A 96 12.108 5.196 -21.363 1.00 3.73 N ATOM 1242 CA GLY A 96 10.888 5.973 -21.263 1.00 3.60 C ATOM 1243 C GLY A 96 9.703 5.123 -20.858 1.00 3.42 C ATOM 1244 O GLY A 96 9.025 5.414 -19.872 1.00 3.37 O ATOM 0 H GLY A 96 12.640 5.124 -20.496 1.00 3.73 H new ATOM 0 HA2 GLY A 96 11.026 6.772 -20.535 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.682 6.448 -22.222 1.00 3.60 H new ATOM 1248 N GLY A 97 9.461 4.068 -21.619 1.00 3.39 N ATOM 1249 CA GLY A 97 8.358 3.178 -21.333 1.00 3.25 C ATOM 1250 C GLY A 97 7.436 3.039 -22.521 1.00 3.46 C ATOM 1251 O GLY A 97 6.365 3.680 -22.525 1.00 3.54 O ATOM 1252 OXT GLY A 97 7.791 2.308 -23.472 1.00 3.68 O ATOM 0 H GLY A 97 10.014 3.811 -22.436 1.00 3.39 H new ATOM 0 HA2 GLY A 97 8.743 2.197 -21.054 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.797 3.555 -20.478 1.00 3.25 H new ATOM 1309 N VAL B 4 1.803 3.484 3.842 1.00 1.82 N ATOM 1310 CA VAL B 4 1.618 2.121 3.372 1.00 1.66 C ATOM 1311 C VAL B 4 0.531 2.082 2.326 1.00 1.67 C ATOM 1312 O VAL B 4 -0.651 2.233 2.645 1.00 1.80 O ATOM 1313 CB VAL B 4 1.226 1.146 4.507 1.00 1.71 C ATOM 1314 CG1 VAL B 4 2.412 0.323 4.982 1.00 2.13 C ATOM 1315 CG2 VAL B 4 0.609 1.897 5.670 1.00 2.04 C ATOM 0 HA VAL B 4 2.576 1.803 2.960 1.00 1.66 H new ATOM 0 HB VAL B 4 0.487 0.457 4.099 1.00 1.71 H new ATOM 0 HG11 VAL B 4 2.093 -0.348 5.779 1.00 2.13 H new ATOM 0 HG12 VAL B 4 2.805 -0.262 4.151 1.00 2.13 H new ATOM 0 HG13 VAL B 4 3.190 0.988 5.357 1.00 2.13 H new ATOM 0 HG21 VAL B 4 0.341 1.192 6.457 1.00 2.04 H new ATOM 0 HG22 VAL B 4 1.327 2.619 6.059 1.00 2.04 H new ATOM 0 HG23 VAL B 4 -0.285 2.421 5.332 1.00 2.04 H new ATOM 1325 N ILE B 5 0.922 1.905 1.081 1.00 1.55 N ATOM 1326 CA ILE B 5 -0.040 1.834 0.007 1.00 1.57 C ATOM 1327 C ILE B 5 -0.821 0.536 0.125 1.00 1.50 C ATOM 1328 O ILE B 5 -0.240 -0.553 0.152 1.00 1.31 O ATOM 1329 CB ILE B 5 0.629 1.942 -1.374 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.617 3.106 -1.374 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.421 2.130 -2.462 1.00 1.58 C ATOM 1332 CD1 ILE B 5 2.487 3.173 -2.606 1.00 1.61 C ATOM 0 H ILE B 5 1.895 1.808 0.791 1.00 1.55 H new ATOM 0 HA ILE B 5 -0.718 2.683 0.095 1.00 1.57 H new ATOM 0 HB ILE B 5 1.169 1.018 -1.582 1.00 1.47 H new ATOM 0 HG12 ILE B 5 1.062 4.040 -1.282 1.00 1.55 H new ATOM 0 HG13 ILE B 5 2.256 3.027 -0.494 1.00 1.55 H new ATOM 0 HG21 ILE B 5 0.070 2.205 -3.432 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -1.100 1.277 -2.463 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -0.985 3.043 -2.270 1.00 1.58 H new ATOM 0 HD11 ILE B 5 3.161 4.026 -2.530 1.00 1.61 H new ATOM 0 HD12 ILE B 5 3.071 2.256 -2.690 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.859 3.285 -3.490 1.00 1.61 H new ATOM 1344 N ASP B 6 -2.130 0.664 0.237 1.00 1.74 N ATOM 1345 CA ASP B 6 -3.011 -0.479 0.397 1.00 1.77 C ATOM 1346 C ASP B 6 -3.099 -1.302 -0.867 1.00 1.63 C ATOM 1347 O ASP B 6 -3.724 -0.883 -1.842 1.00 1.75 O ATOM 1348 CB ASP B 6 -4.421 -0.033 0.766 1.00 2.16 C ATOM 1349 CG ASP B 6 -4.473 0.804 2.027 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -4.143 2.009 1.965 1.00 2.43 O ATOM 1351 OD2 ASP B 6 -4.843 0.263 3.090 1.00 2.53 O ATOM 0 H ASP B 6 -2.613 1.562 0.220 1.00 1.74 H new ATOM 0 HA ASP B 6 -2.584 -1.086 1.196 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.841 0.541 -0.060 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -5.051 -0.913 0.896 1.00 2.16 H new ATOM 1356 N LEU B 7 -2.471 -2.462 -0.856 1.00 1.42 N ATOM 1357 CA LEU B 7 -2.535 -3.348 -2.000 1.00 1.32 C ATOM 1358 C LEU B 7 -3.197 -4.656 -1.593 1.00 1.37 C ATOM 1359 O LEU B 7 -3.612 -5.447 -2.437 1.00 1.42 O ATOM 1360 CB LEU B 7 -1.147 -3.641 -2.582 1.00 1.13 C ATOM 1361 CG LEU B 7 -0.444 -2.485 -3.302 1.00 1.41 C ATOM 1362 CD1 LEU B 7 0.612 -3.032 -4.249 1.00 1.77 C ATOM 1363 CD2 LEU B 7 -1.436 -1.614 -4.061 1.00 1.70 C ATOM 0 H LEU B 7 -1.915 -2.810 -0.074 1.00 1.42 H new ATOM 0 HA LEU B 7 -3.120 -2.848 -2.772 1.00 1.32 H new ATOM 0 HB2 LEU B 7 -0.502 -3.979 -1.771 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -1.240 -4.471 -3.282 1.00 1.13 H new ATOM 0 HG LEU B 7 0.036 -1.859 -2.550 1.00 1.41 H new ATOM 0 HD11 LEU B 7 1.108 -2.205 -4.758 1.00 1.77 H new ATOM 0 HD12 LEU B 7 1.348 -3.603 -3.683 1.00 1.77 H new ATOM 0 HD13 LEU B 7 0.139 -3.680 -4.987 1.00 1.77 H new ATOM 0 HD21 LEU B 7 -0.903 -0.805 -4.559 1.00 1.70 H new ATOM 0 HD22 LEU B 7 -1.956 -2.218 -4.805 1.00 1.70 H new ATOM 0 HD23 LEU B 7 -2.161 -1.195 -3.363 1.00 1.70 H new