USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 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 53 ASN : amide:sc= 0.892 K(o=2.1,f=-6.7!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 174:sc= 1.23 (180deg=-0.0699) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -133:sc= 1.12 (180deg=-0.00233) USER MOD Set 2.2: A 104 GLN : amide:sc= 1.1 K(o=2.2,f=-13!) USER MOD Set 3.1: A 8 SER OG : rot -83:sc= 0.887 USER MOD Set 3.2: A 39 MET CE :methyl 148:sc= -0.214 (180deg=-1.13) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 19 CYS SG : rot -89:sc= 0.338 USER MOD Single : A 24 THR OG1 : rot 86:sc= 0.472 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.15) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -80:sc= 1.03 USER MOD Single : A 37 SER OG : rot 170:sc= -0.0171 USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= 0.671 (180deg=0.0865) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 43 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.27) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -85:sc= 1.16 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.713 K(o=0.71,f=-0.33) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -165:sc= 1.19 USER MOD Single : A 83 THR OG1 : rot 129:sc= 0.262 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 74:sc= 0.898 USER MOD Single : A 87 MET CE :methyl 176:sc= 0 (180deg=-0.00801) USER MOD Single : A 92 ASN : amide:sc= 0.411 X(o=0.41,f=-0.051) USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= 1.09 (180deg=1.06) USER MOD Single : A 106 MET CE :methyl -119:sc= -0.122 (180deg=-0.451) USER MOD Single : A 108 HIS : no HD1:sc= -0.939 X(o=-0.94,f=-1.3) USER MOD Single : A 109 SER OG : rot -33:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -11.754 4.751 1.155 1.00 0.64 N ATOM 32 CA ILE A 3 -10.807 5.253 0.166 1.00 0.52 C ATOM 33 C ILE A 3 -11.443 5.330 -1.227 1.00 0.53 C ATOM 34 O ILE A 3 -11.108 6.193 -2.035 1.00 0.58 O ATOM 35 CB ILE A 3 -9.514 4.416 0.207 1.00 0.62 C ATOM 36 CG1 ILE A 3 -9.604 3.076 -0.542 1.00 0.90 C ATOM 37 CG2 ILE A 3 -9.101 4.141 1.662 1.00 0.66 C ATOM 38 CD1 ILE A 3 -9.040 3.176 -1.964 1.00 1.31 C ATOM 0 HA ILE A 3 -10.532 6.278 0.415 1.00 0.52 H new ATOM 0 HB ILE A 3 -8.766 5.019 -0.308 1.00 0.62 H new ATOM 0 HG12 ILE A 3 -9.057 2.313 0.012 1.00 0.90 H new ATOM 0 HG13 ILE A 3 -10.644 2.754 -0.586 1.00 0.90 H new ATOM 0 HG21 ILE A 3 -8.186 3.549 1.675 1.00 0.66 H new ATOM 0 HG22 ILE A 3 -8.928 5.087 2.176 1.00 0.66 H new ATOM 0 HG23 ILE A 3 -9.895 3.592 2.168 1.00 0.66 H new ATOM 0 HD11 ILE A 3 -9.123 2.208 -2.457 1.00 1.31 H new ATOM 0 HD12 ILE A 3 -9.603 3.920 -2.527 1.00 1.31 H new ATOM 0 HD13 ILE A 3 -7.992 3.472 -1.920 1.00 1.31 H new ATOM 50 N THR A 4 -12.371 4.411 -1.511 1.00 0.65 N ATOM 51 CA THR A 4 -12.998 4.276 -2.809 1.00 0.85 C ATOM 52 C THR A 4 -13.753 5.544 -3.206 1.00 0.88 C ATOM 53 O THR A 4 -13.886 5.844 -4.387 1.00 1.38 O ATOM 54 CB THR A 4 -13.895 3.024 -2.785 1.00 1.19 C ATOM 55 OG1 THR A 4 -13.823 2.410 -4.037 1.00 1.30 O ATOM 56 CG2 THR A 4 -15.359 3.273 -2.406 1.00 1.86 C ATOM 0 H THR A 4 -12.706 3.733 -0.827 1.00 0.65 H new ATOM 0 HA THR A 4 -12.238 4.146 -3.580 1.00 0.85 H new ATOM 0 HB THR A 4 -13.511 2.384 -1.990 1.00 1.19 H new ATOM 0 HG1 THR A 4 -14.387 1.609 -4.041 1.00 1.30 H new ATOM 0 HG21 THR A 4 -15.904 2.329 -2.419 1.00 1.86 H new ATOM 0 HG22 THR A 4 -15.408 3.707 -1.407 1.00 1.86 H new ATOM 0 HG23 THR A 4 -15.808 3.961 -3.122 1.00 1.86 H new ATOM 64 N ASP A 5 -14.250 6.275 -2.206 1.00 0.85 N ATOM 65 CA ASP A 5 -15.053 7.465 -2.397 1.00 0.94 C ATOM 66 C ASP A 5 -14.353 8.624 -1.688 1.00 1.01 C ATOM 67 O ASP A 5 -14.907 9.251 -0.789 1.00 1.80 O ATOM 68 CB ASP A 5 -16.463 7.171 -1.867 1.00 1.08 C ATOM 69 CG ASP A 5 -17.449 8.293 -2.152 1.00 1.64 C ATOM 70 OD1 ASP A 5 -17.164 9.110 -3.053 1.00 2.55 O ATOM 71 OD2 ASP A 5 -18.503 8.266 -1.479 1.00 2.51 O ATOM 0 H ASP A 5 -14.097 6.044 -1.224 1.00 0.85 H new ATOM 0 HA ASP A 5 -15.157 7.749 -3.444 1.00 0.94 H new ATOM 0 HB2 ASP A 5 -16.830 6.249 -2.318 1.00 1.08 H new ATOM 0 HB3 ASP A 5 -16.413 7.002 -0.791 1.00 1.08 H new ATOM 76 N VAL A 6 -13.085 8.853 -2.059 1.00 0.60 N ATOM 77 CA VAL A 6 -12.296 9.970 -1.538 1.00 0.64 C ATOM 78 C VAL A 6 -11.523 10.678 -2.652 1.00 0.60 C ATOM 79 O VAL A 6 -11.607 11.896 -2.790 1.00 0.68 O ATOM 80 CB VAL A 6 -11.414 9.521 -0.350 1.00 0.69 C ATOM 81 CG1 VAL A 6 -10.000 9.032 -0.699 1.00 1.92 C ATOM 82 CG2 VAL A 6 -11.279 10.651 0.677 1.00 1.97 C ATOM 0 H VAL A 6 -12.582 8.269 -2.727 1.00 0.60 H new ATOM 0 HA VAL A 6 -12.977 10.720 -1.137 1.00 0.64 H new ATOM 0 HB VAL A 6 -11.948 8.657 0.046 1.00 0.69 H new ATOM 0 HG11 VAL A 6 -9.479 8.745 0.214 1.00 1.92 H new ATOM 0 HG12 VAL A 6 -10.067 8.171 -1.365 1.00 1.92 H new ATOM 0 HG13 VAL A 6 -9.450 9.832 -1.194 1.00 1.92 H new ATOM 0 HG21 VAL A 6 -10.655 10.317 1.506 1.00 1.97 H new ATOM 0 HG22 VAL A 6 -10.820 11.519 0.204 1.00 1.97 H new ATOM 0 HG23 VAL A 6 -12.266 10.922 1.052 1.00 1.97 H new ATOM 92 N LEU A 7 -10.762 9.909 -3.432 1.00 0.55 N ATOM 93 CA LEU A 7 -9.845 10.390 -4.456 1.00 0.56 C ATOM 94 C LEU A 7 -9.202 9.151 -5.074 1.00 0.58 C ATOM 95 O LEU A 7 -9.393 8.871 -6.257 1.00 0.53 O ATOM 96 CB LEU A 7 -8.785 11.326 -3.837 1.00 0.61 C ATOM 97 CG LEU A 7 -7.633 11.680 -4.798 1.00 0.70 C ATOM 98 CD1 LEU A 7 -7.713 13.147 -5.230 1.00 0.97 C ATOM 99 CD2 LEU A 7 -6.287 11.397 -4.119 1.00 1.03 C ATOM 0 H LEU A 7 -10.771 8.892 -3.361 1.00 0.55 H new ATOM 0 HA LEU A 7 -10.365 10.972 -5.217 1.00 0.56 H new ATOM 0 HB2 LEU A 7 -9.271 12.246 -3.512 1.00 0.61 H new ATOM 0 HB3 LEU A 7 -8.371 10.853 -2.947 1.00 0.61 H new ATOM 0 HG LEU A 7 -7.722 11.061 -5.691 1.00 0.70 H new ATOM 0 HD11 LEU A 7 -6.889 13.372 -5.908 1.00 0.97 H new ATOM 0 HD12 LEU A 7 -8.660 13.325 -5.738 1.00 0.97 H new ATOM 0 HD13 LEU A 7 -7.646 13.789 -4.352 1.00 0.97 H new ATOM 0 HD21 LEU A 7 -5.475 11.648 -4.802 1.00 1.03 H new ATOM 0 HD22 LEU A 7 -6.201 12.000 -3.215 1.00 1.03 H new ATOM 0 HD23 LEU A 7 -6.227 10.341 -3.857 1.00 1.03 H new ATOM 111 N SER A 8 -8.499 8.386 -4.229 1.00 0.69 N ATOM 112 CA SER A 8 -7.628 7.293 -4.633 1.00 0.77 C ATOM 113 C SER A 8 -8.240 6.283 -5.597 1.00 0.65 C ATOM 114 O SER A 8 -7.477 5.559 -6.213 1.00 0.60 O ATOM 115 CB SER A 8 -7.022 6.587 -3.415 1.00 1.04 C ATOM 116 OG SER A 8 -6.013 7.402 -2.851 1.00 2.02 O ATOM 0 H SER A 8 -8.527 8.520 -3.218 1.00 0.69 H new ATOM 0 HA SER A 8 -6.839 7.778 -5.207 1.00 0.77 H new ATOM 0 HB2 SER A 8 -7.797 6.385 -2.675 1.00 1.04 H new ATOM 0 HB3 SER A 8 -6.604 5.624 -3.710 1.00 1.04 H new ATOM 0 HG SER A 8 -5.173 7.265 -3.337 1.00 2.02 H new ATOM 122 N ALA A 9 -9.562 6.200 -5.763 1.00 0.66 N ATOM 123 CA ALA A 9 -10.155 5.425 -6.850 1.00 0.66 C ATOM 124 C ALA A 9 -9.518 5.752 -8.209 1.00 0.63 C ATOM 125 O ALA A 9 -9.178 4.851 -8.978 1.00 0.66 O ATOM 126 CB ALA A 9 -11.656 5.695 -6.895 1.00 0.72 C ATOM 0 H ALA A 9 -10.241 6.661 -5.157 1.00 0.66 H new ATOM 0 HA ALA A 9 -9.968 4.369 -6.655 1.00 0.66 H new ATOM 0 HB1 ALA A 9 -12.105 5.119 -7.704 1.00 0.72 H new ATOM 0 HB2 ALA A 9 -12.107 5.401 -5.947 1.00 0.72 H new ATOM 0 HB3 ALA A 9 -11.830 6.757 -7.066 1.00 0.72 H new ATOM 132 N ASP A 10 -9.345 7.040 -8.509 1.00 0.62 N ATOM 133 CA ASP A 10 -8.729 7.449 -9.766 1.00 0.62 C ATOM 134 C ASP A 10 -7.261 7.010 -9.793 1.00 0.61 C ATOM 135 O ASP A 10 -6.748 6.473 -10.776 1.00 0.61 O ATOM 136 CB ASP A 10 -8.859 8.967 -9.915 1.00 0.67 C ATOM 137 CG ASP A 10 -8.342 9.417 -11.274 1.00 0.77 C ATOM 138 OD1 ASP A 10 -9.081 9.195 -12.255 1.00 1.47 O ATOM 139 OD2 ASP A 10 -7.225 9.977 -11.305 1.00 2.08 O ATOM 0 H ASP A 10 -9.622 7.811 -7.901 1.00 0.62 H new ATOM 0 HA ASP A 10 -9.235 6.972 -10.605 1.00 0.62 H new ATOM 0 HB2 ASP A 10 -9.902 9.261 -9.801 1.00 0.67 H new ATOM 0 HB3 ASP A 10 -8.299 9.465 -9.123 1.00 0.67 H new ATOM 144 N ASP A 11 -6.590 7.197 -8.660 1.00 0.62 N ATOM 145 CA ASP A 11 -5.163 6.994 -8.539 1.00 0.67 C ATOM 146 C ASP A 11 -4.853 5.493 -8.656 1.00 0.60 C ATOM 147 O ASP A 11 -3.912 5.091 -9.338 1.00 0.58 O ATOM 148 CB ASP A 11 -4.675 7.610 -7.220 1.00 0.81 C ATOM 149 CG ASP A 11 -4.991 9.094 -7.046 1.00 1.50 C ATOM 150 OD1 ASP A 11 -6.181 9.396 -6.838 1.00 2.03 O ATOM 151 OD2 ASP A 11 -4.039 9.912 -7.054 1.00 2.71 O ATOM 0 H ASP A 11 -7.035 7.498 -7.793 1.00 0.62 H new ATOM 0 HA ASP A 11 -4.625 7.495 -9.344 1.00 0.67 H new ATOM 0 HB2 ASP A 11 -5.121 7.059 -6.392 1.00 0.81 H new ATOM 0 HB3 ASP A 11 -3.596 7.473 -7.149 1.00 0.81 H new ATOM 156 N ILE A 12 -5.663 4.627 -8.042 1.00 0.60 N ATOM 157 CA ILE A 12 -5.532 3.199 -8.212 1.00 0.60 C ATOM 158 C ILE A 12 -5.792 2.800 -9.663 1.00 0.60 C ATOM 159 O ILE A 12 -5.076 1.952 -10.187 1.00 0.60 O ATOM 160 CB ILE A 12 -6.372 2.398 -7.211 1.00 0.65 C ATOM 161 CG1 ILE A 12 -7.888 2.502 -7.403 1.00 0.65 C ATOM 162 CG2 ILE A 12 -5.912 2.644 -5.767 1.00 0.67 C ATOM 163 CD1 ILE A 12 -8.704 1.615 -6.458 1.00 0.78 C ATOM 0 H ILE A 12 -6.421 4.906 -7.419 1.00 0.60 H new ATOM 0 HA ILE A 12 -4.499 2.937 -7.983 1.00 0.60 H new ATOM 0 HB ILE A 12 -6.174 1.350 -7.437 1.00 0.65 H new ATOM 0 HG12 ILE A 12 -8.190 3.539 -7.261 1.00 0.65 H new ATOM 0 HG13 ILE A 12 -8.131 2.237 -8.432 1.00 0.65 H new ATOM 0 HG21 ILE A 12 -6.529 2.060 -5.084 1.00 0.67 H new ATOM 0 HG22 ILE A 12 -4.870 2.343 -5.661 1.00 0.67 H new ATOM 0 HG23 ILE A 12 -6.010 3.703 -5.529 1.00 0.67 H new ATOM 0 HD11 ILE A 12 -9.767 1.749 -6.660 1.00 0.78 H new ATOM 0 HD12 ILE A 12 -8.433 0.571 -6.615 1.00 0.78 H new ATOM 0 HD13 ILE A 12 -8.493 1.893 -5.425 1.00 0.78 H new ATOM 175 N ALA A 13 -6.777 3.411 -10.333 1.00 0.60 N ATOM 176 CA ALA A 13 -6.991 3.160 -11.755 1.00 0.64 C ATOM 177 C ALA A 13 -5.705 3.443 -12.542 1.00 0.64 C ATOM 178 O ALA A 13 -5.290 2.626 -13.363 1.00 0.67 O ATOM 179 CB ALA A 13 -8.186 3.959 -12.286 1.00 0.69 C ATOM 0 H ALA A 13 -7.429 4.075 -9.915 1.00 0.60 H new ATOM 0 HA ALA A 13 -7.237 2.107 -11.892 1.00 0.64 H new ATOM 0 HB1 ALA A 13 -8.320 3.751 -13.348 1.00 0.69 H new ATOM 0 HB2 ALA A 13 -9.086 3.671 -11.743 1.00 0.69 H new ATOM 0 HB3 ALA A 13 -8.003 5.024 -12.145 1.00 0.69 H new ATOM 185 N ALA A 14 -5.040 4.568 -12.258 1.00 0.61 N ATOM 186 CA ALA A 14 -3.714 4.835 -12.810 1.00 0.62 C ATOM 187 C ALA A 14 -2.740 3.704 -12.468 1.00 0.57 C ATOM 188 O ALA A 14 -2.175 3.092 -13.373 1.00 0.59 O ATOM 189 CB ALA A 14 -3.189 6.195 -12.345 1.00 0.63 C ATOM 0 H ALA A 14 -5.400 5.304 -11.651 1.00 0.61 H new ATOM 0 HA ALA A 14 -3.800 4.874 -13.896 1.00 0.62 H new ATOM 0 HB1 ALA A 14 -2.201 6.368 -12.770 1.00 0.63 H new ATOM 0 HB2 ALA A 14 -3.869 6.980 -12.676 1.00 0.63 H new ATOM 0 HB3 ALA A 14 -3.123 6.207 -11.257 1.00 0.63 H new ATOM 195 N ALA A 15 -2.554 3.410 -11.176 1.00 0.51 N ATOM 196 CA ALA A 15 -1.619 2.397 -10.693 1.00 0.50 C ATOM 197 C ALA A 15 -1.779 1.085 -11.453 1.00 0.57 C ATOM 198 O ALA A 15 -0.801 0.496 -11.913 1.00 0.60 O ATOM 199 CB ALA A 15 -1.834 2.145 -9.199 1.00 0.50 C ATOM 0 H ALA A 15 -3.060 3.880 -10.426 1.00 0.51 H new ATOM 0 HA ALA A 15 -0.610 2.775 -10.861 1.00 0.50 H new ATOM 0 HB1 ALA A 15 -1.130 1.388 -8.853 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -1.672 3.071 -8.647 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.853 1.797 -9.032 1.00 0.50 H new ATOM 205 N LEU A 16 -3.035 0.654 -11.573 1.00 0.60 N ATOM 206 CA LEU A 16 -3.437 -0.584 -12.213 1.00 0.65 C ATOM 207 C LEU A 16 -2.828 -0.663 -13.613 1.00 0.66 C ATOM 208 O LEU A 16 -2.346 -1.721 -14.013 1.00 0.69 O ATOM 209 CB LEU A 16 -4.978 -0.653 -12.220 1.00 0.68 C ATOM 210 CG LEU A 16 -5.653 -1.990 -12.580 1.00 1.14 C ATOM 211 CD1 LEU A 16 -5.490 -2.400 -14.048 1.00 2.38 C ATOM 212 CD2 LEU A 16 -5.234 -3.131 -11.647 1.00 2.81 C ATOM 0 H LEU A 16 -3.827 1.185 -11.210 1.00 0.60 H new ATOM 0 HA LEU A 16 -3.067 -1.450 -11.665 1.00 0.65 H new ATOM 0 HB2 LEU A 16 -5.327 -0.362 -11.229 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -5.340 0.100 -12.920 1.00 0.68 H new ATOM 0 HG LEU A 16 -6.716 -1.803 -12.430 1.00 1.14 H new ATOM 0 HD11 LEU A 16 -5.994 -3.351 -14.218 1.00 2.38 H new ATOM 0 HD12 LEU A 16 -5.930 -1.637 -14.690 1.00 2.38 H new ATOM 0 HD13 LEU A 16 -4.430 -2.504 -14.281 1.00 2.38 H new ATOM 0 HD21 LEU A 16 -5.739 -4.049 -11.946 1.00 2.81 H new ATOM 0 HD22 LEU A 16 -4.155 -3.274 -11.708 1.00 2.81 H new ATOM 0 HD23 LEU A 16 -5.509 -2.883 -10.622 1.00 2.81 H new ATOM 224 N GLN A 17 -2.831 0.450 -14.358 1.00 0.66 N ATOM 225 CA GLN A 17 -2.341 0.445 -15.729 1.00 0.69 C ATOM 226 C GLN A 17 -0.831 0.702 -15.769 1.00 0.70 C ATOM 227 O GLN A 17 -0.094 -0.031 -16.428 1.00 0.71 O ATOM 228 CB GLN A 17 -3.138 1.430 -16.590 1.00 0.71 C ATOM 229 CG GLN A 17 -2.916 1.104 -18.073 1.00 1.78 C ATOM 230 CD GLN A 17 -3.742 1.987 -19.002 1.00 2.06 C ATOM 231 OE1 GLN A 17 -4.892 2.301 -18.721 1.00 2.15 O ATOM 232 NE2 GLN A 17 -3.172 2.377 -20.138 1.00 3.60 N ATOM 0 H GLN A 17 -3.166 1.356 -14.031 1.00 0.66 H new ATOM 0 HA GLN A 17 -2.497 -0.544 -16.159 1.00 0.69 H new ATOM 0 HB2 GLN A 17 -4.199 1.367 -16.347 1.00 0.71 H new ATOM 0 HB3 GLN A 17 -2.823 2.452 -16.380 1.00 0.71 H new ATOM 0 HG2 GLN A 17 -1.859 1.222 -18.312 1.00 1.78 H new ATOM 0 HG3 GLN A 17 -3.169 0.059 -18.252 1.00 1.78 H new ATOM 0 HE21 GLN A 17 -2.213 2.102 -20.348 1.00 3.60 H new ATOM 0 HE22 GLN A 17 -3.694 2.952 -20.800 1.00 3.60 H new ATOM 241 N GLU A 18 -0.381 1.746 -15.067 1.00 0.74 N ATOM 242 CA GLU A 18 1.020 2.137 -14.945 1.00 0.73 C ATOM 243 C GLU A 18 1.884 0.919 -14.613 1.00 0.78 C ATOM 244 O GLU A 18 2.882 0.650 -15.278 1.00 0.88 O ATOM 245 CB GLU A 18 1.108 3.247 -13.882 1.00 0.67 C ATOM 246 CG GLU A 18 2.515 3.597 -13.369 1.00 1.62 C ATOM 247 CD GLU A 18 3.517 3.967 -14.458 1.00 2.72 C ATOM 248 OE1 GLU A 18 3.077 4.508 -15.493 1.00 3.70 O ATOM 249 OE2 GLU A 18 4.725 3.728 -14.220 1.00 3.42 O ATOM 0 H GLU A 18 -1.008 2.363 -14.550 1.00 0.74 H new ATOM 0 HA GLU A 18 1.406 2.529 -15.886 1.00 0.73 H new ATOM 0 HB2 GLU A 18 0.661 4.151 -14.295 1.00 0.67 H new ATOM 0 HB3 GLU A 18 0.498 2.951 -13.029 1.00 0.67 H new ATOM 0 HG2 GLU A 18 2.435 4.429 -12.670 1.00 1.62 H new ATOM 0 HG3 GLU A 18 2.905 2.747 -12.809 1.00 1.62 H new ATOM 256 N CYS A 19 1.472 0.154 -13.602 1.00 0.76 N ATOM 257 CA CYS A 19 2.152 -1.057 -13.182 1.00 0.84 C ATOM 258 C CYS A 19 1.260 -2.242 -13.528 1.00 0.76 C ATOM 259 O CYS A 19 0.944 -3.024 -12.643 1.00 0.84 O ATOM 260 CB CYS A 19 2.420 -1.008 -11.668 1.00 0.99 C ATOM 261 SG CYS A 19 3.549 0.338 -11.225 1.00 1.52 S ATOM 0 H CYS A 19 0.643 0.367 -13.047 1.00 0.76 H new ATOM 0 HA CYS A 19 3.111 -1.153 -13.691 1.00 0.84 H new ATOM 0 HB2 CYS A 19 1.477 -0.881 -11.136 1.00 0.99 H new ATOM 0 HB3 CYS A 19 2.843 -1.959 -11.343 1.00 0.99 H new ATOM 0 HG CYS A 19 4.776 -0.088 -11.282 1.00 1.52 H new ATOM 267 N ARG A 20 0.845 -2.414 -14.787 1.00 0.67 N ATOM 268 CA ARG A 20 0.005 -3.554 -15.160 1.00 0.61 C ATOM 269 C ARG A 20 0.884 -4.790 -15.276 1.00 0.54 C ATOM 270 O ARG A 20 0.634 -5.811 -14.636 1.00 0.72 O ATOM 271 CB ARG A 20 -0.712 -3.250 -16.480 1.00 0.70 C ATOM 272 CG ARG A 20 -1.832 -4.243 -16.798 1.00 1.21 C ATOM 273 CD ARG A 20 -2.460 -3.844 -18.138 1.00 1.86 C ATOM 274 NE ARG A 20 -3.558 -4.748 -18.517 1.00 2.65 N ATOM 275 CZ ARG A 20 -4.145 -4.772 -19.725 1.00 3.34 C ATOM 276 NH1 ARG A 20 -3.771 -3.900 -20.668 1.00 3.89 N ATOM 277 NH2 ARG A 20 -5.105 -5.668 -19.986 1.00 4.22 N ATOM 0 H ARG A 20 1.074 -1.785 -15.557 1.00 0.67 H new ATOM 0 HA ARG A 20 -0.755 -3.737 -14.401 1.00 0.61 H new ATOM 0 HB2 ARG A 20 -1.128 -2.244 -16.437 1.00 0.70 H new ATOM 0 HB3 ARG A 20 0.015 -3.260 -17.292 1.00 0.70 H new ATOM 0 HG2 ARG A 20 -1.437 -5.258 -16.851 1.00 1.21 H new ATOM 0 HG3 ARG A 20 -2.583 -4.234 -16.008 1.00 1.21 H new ATOM 0 HD2 ARG A 20 -2.836 -2.823 -18.074 1.00 1.86 H new ATOM 0 HD3 ARG A 20 -1.696 -3.854 -18.915 1.00 1.86 H new ATOM 0 HE ARG A 20 -3.897 -5.403 -17.812 1.00 2.65 H new ATOM 0 HH11 ARG A 20 -3.040 -3.217 -20.470 1.00 3.89 H new ATOM 0 HH12 ARG A 20 -4.217 -3.918 -21.585 1.00 3.89 H new ATOM 0 HH21 ARG A 20 -5.391 -6.333 -19.267 1.00 4.22 H new ATOM 0 HH22 ARG A 20 -5.550 -5.686 -20.903 1.00 4.22 H new ATOM 291 N ASP A 21 1.919 -4.675 -16.105 1.00 0.72 N ATOM 292 CA ASP A 21 2.862 -5.731 -16.399 1.00 0.71 C ATOM 293 C ASP A 21 3.434 -6.327 -15.111 1.00 0.67 C ATOM 294 O ASP A 21 3.709 -5.578 -14.162 1.00 0.62 O ATOM 295 CB ASP A 21 3.957 -5.147 -17.291 1.00 0.75 C ATOM 296 CG ASP A 21 3.454 -5.026 -18.720 1.00 1.07 C ATOM 297 OD1 ASP A 21 2.721 -4.045 -18.969 1.00 1.85 O ATOM 298 OD2 ASP A 21 3.760 -5.946 -19.508 1.00 2.29 O ATOM 0 H ASP A 21 2.124 -3.809 -16.604 1.00 0.72 H new ATOM 0 HA ASP A 21 2.366 -6.549 -16.921 1.00 0.71 H new ATOM 0 HB2 ASP A 21 4.257 -4.168 -16.918 1.00 0.75 H new ATOM 0 HB3 ASP A 21 4.841 -5.784 -17.261 1.00 0.75 H new ATOM 303 N PRO A 22 3.611 -7.658 -15.059 1.00 0.79 N ATOM 304 CA PRO A 22 4.067 -8.358 -13.870 1.00 0.86 C ATOM 305 C PRO A 22 5.422 -7.813 -13.416 1.00 0.86 C ATOM 306 O PRO A 22 6.174 -7.265 -14.217 1.00 1.21 O ATOM 307 CB PRO A 22 4.117 -9.841 -14.244 1.00 1.03 C ATOM 308 CG PRO A 22 4.292 -9.819 -15.762 1.00 1.07 C ATOM 309 CD PRO A 22 3.503 -8.579 -16.179 1.00 0.93 C ATOM 0 HA PRO A 22 3.397 -8.213 -13.022 1.00 0.86 H new ATOM 0 HB2 PRO A 22 4.945 -10.352 -13.752 1.00 1.03 H new ATOM 0 HB3 PRO A 22 3.204 -10.360 -13.952 1.00 1.03 H new ATOM 0 HG2 PRO A 22 5.342 -9.745 -16.047 1.00 1.07 H new ATOM 0 HG3 PRO A 22 3.899 -10.723 -16.227 1.00 1.07 H new ATOM 0 HD2 PRO A 22 3.912 -8.141 -17.089 1.00 0.93 H new ATOM 0 HD3 PRO A 22 2.462 -8.827 -16.385 1.00 0.93 H new ATOM 317 N ASP A 23 5.686 -7.898 -12.113 1.00 0.69 N ATOM 318 CA ASP A 23 6.889 -7.455 -11.422 1.00 0.67 C ATOM 319 C ASP A 23 7.073 -5.924 -11.352 1.00 0.74 C ATOM 320 O ASP A 23 7.737 -5.428 -10.447 1.00 1.56 O ATOM 321 CB ASP A 23 8.124 -8.172 -11.984 1.00 0.81 C ATOM 322 CG ASP A 23 9.296 -8.113 -11.015 1.00 1.82 C ATOM 323 OD1 ASP A 23 9.165 -8.733 -9.936 1.00 2.31 O ATOM 324 OD2 ASP A 23 10.313 -7.488 -11.385 1.00 3.53 O ATOM 0 H ASP A 23 5.012 -8.310 -11.467 1.00 0.69 H new ATOM 0 HA ASP A 23 6.761 -7.744 -10.379 1.00 0.67 H new ATOM 0 HB2 ASP A 23 7.877 -9.213 -12.194 1.00 0.81 H new ATOM 0 HB3 ASP A 23 8.411 -7.715 -12.931 1.00 0.81 H new ATOM 329 N THR A 24 6.457 -5.142 -12.251 1.00 0.60 N ATOM 330 CA THR A 24 6.770 -3.737 -12.523 1.00 0.52 C ATOM 331 C THR A 24 6.290 -2.780 -11.422 1.00 0.60 C ATOM 332 O THR A 24 6.013 -1.617 -11.715 1.00 1.09 O ATOM 333 CB THR A 24 6.116 -3.354 -13.873 1.00 0.59 C ATOM 334 OG1 THR A 24 6.200 -4.430 -14.777 1.00 0.67 O ATOM 335 CG2 THR A 24 6.752 -2.148 -14.575 1.00 0.85 C ATOM 0 H THR A 24 5.694 -5.490 -12.832 1.00 0.60 H new ATOM 0 HA THR A 24 7.855 -3.636 -12.558 1.00 0.52 H new ATOM 0 HB THR A 24 5.090 -3.096 -13.612 1.00 0.59 H new ATOM 0 HG1 THR A 24 5.444 -5.037 -14.634 1.00 0.67 H new ATOM 0 HG21 THR A 24 6.229 -1.954 -15.511 1.00 0.85 H new ATOM 0 HG22 THR A 24 6.679 -1.272 -13.931 1.00 0.85 H new ATOM 0 HG23 THR A 24 7.801 -2.359 -14.783 1.00 0.85 H new ATOM 343 N PHE A 25 6.115 -3.244 -10.180 1.00 0.46 N ATOM 344 CA PHE A 25 5.342 -2.514 -9.187 1.00 0.58 C ATOM 345 C PHE A 25 6.261 -1.852 -8.151 1.00 0.60 C ATOM 346 O PHE A 25 6.460 -2.373 -7.054 1.00 1.14 O ATOM 347 CB PHE A 25 4.251 -3.406 -8.574 1.00 0.88 C ATOM 348 CG PHE A 25 2.949 -2.728 -8.158 1.00 1.35 C ATOM 349 CD1 PHE A 25 2.782 -1.329 -8.222 1.00 2.10 C ATOM 350 CD2 PHE A 25 1.829 -3.532 -7.876 1.00 2.95 C ATOM 351 CE1 PHE A 25 1.496 -0.769 -8.165 1.00 2.73 C ATOM 352 CE2 PHE A 25 0.555 -2.959 -7.717 1.00 3.50 C ATOM 353 CZ PHE A 25 0.383 -1.576 -7.884 1.00 2.90 C ATOM 0 H PHE A 25 6.503 -4.126 -9.844 1.00 0.46 H new ATOM 0 HA PHE A 25 4.814 -1.697 -9.678 1.00 0.58 H new ATOM 0 HB2 PHE A 25 4.010 -4.188 -9.294 1.00 0.88 H new ATOM 0 HB3 PHE A 25 4.671 -3.899 -7.697 1.00 0.88 H new ATOM 0 HD1 PHE A 25 3.646 -0.687 -8.315 1.00 2.10 H new ATOM 0 HD2 PHE A 25 1.949 -4.601 -7.781 1.00 2.95 H new ATOM 0 HE1 PHE A 25 1.363 0.289 -8.338 1.00 2.73 H new ATOM 0 HE2 PHE A 25 -0.291 -3.582 -7.467 1.00 3.50 H new ATOM 0 HZ PHE A 25 -0.599 -1.136 -7.797 1.00 2.90 H new ATOM 363 N GLU A 26 6.834 -0.698 -8.502 1.00 0.57 N ATOM 364 CA GLU A 26 7.768 0.020 -7.647 1.00 0.55 C ATOM 365 C GLU A 26 7.035 0.634 -6.451 1.00 0.56 C ATOM 366 O GLU A 26 5.913 1.122 -6.611 1.00 0.52 O ATOM 367 CB GLU A 26 8.458 1.145 -8.431 1.00 0.55 C ATOM 368 CG GLU A 26 9.845 0.774 -8.950 1.00 0.74 C ATOM 369 CD GLU A 26 10.522 2.036 -9.464 1.00 1.38 C ATOM 370 OE1 GLU A 26 10.146 2.464 -10.576 1.00 2.99 O ATOM 371 OE2 GLU A 26 11.339 2.586 -8.695 1.00 1.76 O ATOM 0 H GLU A 26 6.658 -0.237 -9.395 1.00 0.57 H new ATOM 0 HA GLU A 26 8.514 -0.692 -7.294 1.00 0.55 H new ATOM 0 HB2 GLU A 26 7.828 1.426 -9.275 1.00 0.55 H new ATOM 0 HB3 GLU A 26 8.543 2.023 -7.790 1.00 0.55 H new ATOM 0 HG2 GLU A 26 10.439 0.323 -8.155 1.00 0.74 H new ATOM 0 HG3 GLU A 26 9.766 0.035 -9.747 1.00 0.74 H new ATOM 378 N PRO A 27 7.679 0.687 -5.273 1.00 0.62 N ATOM 379 CA PRO A 27 7.073 1.252 -4.089 1.00 0.63 C ATOM 380 C PRO A 27 6.839 2.749 -4.252 1.00 0.58 C ATOM 381 O PRO A 27 5.693 3.184 -4.266 1.00 0.50 O ATOM 382 CB PRO A 27 8.025 0.954 -2.928 1.00 0.69 C ATOM 383 CG PRO A 27 9.376 0.688 -3.595 1.00 0.75 C ATOM 384 CD PRO A 27 9.012 0.179 -4.989 1.00 0.69 C ATOM 0 HA PRO A 27 6.092 0.814 -3.904 1.00 0.63 H new ATOM 0 HB2 PRO A 27 8.083 1.795 -2.237 1.00 0.69 H new ATOM 0 HB3 PRO A 27 7.690 0.091 -2.352 1.00 0.69 H new ATOM 0 HG2 PRO A 27 9.980 1.594 -3.647 1.00 0.75 H new ATOM 0 HG3 PRO A 27 9.956 -0.050 -3.040 1.00 0.75 H new ATOM 0 HD2 PRO A 27 9.729 0.531 -5.731 1.00 0.69 H new ATOM 0 HD3 PRO A 27 9.028 -0.910 -5.022 1.00 0.69 H new ATOM 392 N GLN A 28 7.914 3.541 -4.360 1.00 0.66 N ATOM 393 CA GLN A 28 7.846 4.987 -4.447 1.00 0.65 C ATOM 394 C GLN A 28 6.913 5.421 -5.582 1.00 0.55 C ATOM 395 O GLN A 28 6.098 6.330 -5.421 1.00 0.55 O ATOM 396 CB GLN A 28 9.266 5.560 -4.619 1.00 0.78 C ATOM 397 CG GLN A 28 9.476 6.689 -3.608 1.00 1.00 C ATOM 398 CD GLN A 28 10.603 7.645 -3.996 1.00 1.54 C ATOM 399 OE1 GLN A 28 10.664 8.114 -5.126 1.00 3.07 O ATOM 400 NE2 GLN A 28 11.496 7.962 -3.063 1.00 1.25 N ATOM 0 H GLN A 28 8.867 3.178 -4.389 1.00 0.66 H new ATOM 0 HA GLN A 28 7.427 5.386 -3.523 1.00 0.65 H new ATOM 0 HB2 GLN A 28 10.009 4.777 -4.467 1.00 0.78 H new ATOM 0 HB3 GLN A 28 9.400 5.934 -5.634 1.00 0.78 H new ATOM 0 HG2 GLN A 28 8.549 7.253 -3.506 1.00 1.00 H new ATOM 0 HG3 GLN A 28 9.695 6.257 -2.632 1.00 1.00 H new ATOM 0 HE21 GLN A 28 11.423 7.558 -2.129 1.00 1.25 H new ATOM 0 HE22 GLN A 28 12.254 8.609 -3.281 1.00 1.25 H new ATOM 409 N LYS A 29 7.012 4.735 -6.725 1.00 0.53 N ATOM 410 CA LYS A 29 6.110 4.970 -7.835 1.00 0.39 C ATOM 411 C LYS A 29 4.666 4.729 -7.394 1.00 0.39 C ATOM 412 O LYS A 29 3.852 5.647 -7.476 1.00 0.40 O ATOM 413 CB LYS A 29 6.494 4.109 -9.042 1.00 0.50 C ATOM 414 CG LYS A 29 5.599 4.452 -10.243 1.00 0.65 C ATOM 415 CD LYS A 29 6.388 4.659 -11.539 1.00 1.25 C ATOM 416 CE LYS A 29 7.045 3.365 -12.038 1.00 2.77 C ATOM 417 NZ LYS A 29 7.231 3.394 -13.501 1.00 3.67 N ATOM 0 H LYS A 29 7.712 4.013 -6.897 1.00 0.53 H new ATOM 0 HA LYS A 29 6.194 6.010 -8.149 1.00 0.39 H new ATOM 0 HB2 LYS A 29 7.540 4.276 -9.299 1.00 0.50 H new ATOM 0 HB3 LYS A 29 6.391 3.053 -8.792 1.00 0.50 H new ATOM 0 HG2 LYS A 29 4.875 3.651 -10.389 1.00 0.65 H new ATOM 0 HG3 LYS A 29 5.033 5.357 -10.020 1.00 0.65 H new ATOM 0 HD2 LYS A 29 5.721 5.045 -12.310 1.00 1.25 H new ATOM 0 HD3 LYS A 29 7.157 5.414 -11.376 1.00 1.25 H new ATOM 0 HE2 LYS A 29 8.009 3.231 -11.548 1.00 2.77 H new ATOM 0 HE3 LYS A 29 6.427 2.510 -11.764 1.00 2.77 H new ATOM 0 HZ1 LYS A 29 7.500 2.447 -13.836 1.00 3.67 H new ATOM 0 HZ2 LYS A 29 6.343 3.683 -13.958 1.00 3.67 H new ATOM 0 HZ3 LYS A 29 7.981 4.073 -13.742 1.00 3.67 H new ATOM 431 N PHE A 30 4.336 3.512 -6.939 1.00 0.45 N ATOM 432 CA PHE A 30 2.965 3.182 -6.568 1.00 0.47 C ATOM 433 C PHE A 30 2.432 4.194 -5.557 1.00 0.47 C ATOM 434 O PHE A 30 1.362 4.762 -5.735 1.00 0.47 O ATOM 435 CB PHE A 30 2.855 1.756 -6.011 1.00 0.52 C ATOM 436 CG PHE A 30 1.450 1.346 -5.581 1.00 0.66 C ATOM 437 CD1 PHE A 30 0.317 1.738 -6.321 1.00 1.78 C ATOM 438 CD2 PHE A 30 1.269 0.561 -4.429 1.00 1.90 C ATOM 439 CE1 PHE A 30 -0.973 1.391 -5.885 1.00 1.84 C ATOM 440 CE2 PHE A 30 -0.020 0.274 -3.952 1.00 2.02 C ATOM 441 CZ PHE A 30 -1.141 0.730 -4.660 1.00 1.07 C ATOM 0 H PHE A 30 5.001 2.747 -6.822 1.00 0.45 H new ATOM 0 HA PHE A 30 2.356 3.229 -7.471 1.00 0.47 H new ATOM 0 HB2 PHE A 30 3.207 1.056 -6.769 1.00 0.52 H new ATOM 0 HB3 PHE A 30 3.524 1.662 -5.156 1.00 0.52 H new ATOM 0 HD1 PHE A 30 0.441 2.309 -7.229 1.00 1.78 H new ATOM 0 HD2 PHE A 30 2.131 0.174 -3.905 1.00 1.90 H new ATOM 0 HE1 PHE A 30 -1.833 1.633 -6.492 1.00 1.84 H new ATOM 0 HE2 PHE A 30 -0.147 -0.296 -3.043 1.00 2.02 H new ATOM 0 HZ PHE A 30 -2.133 0.572 -4.262 1.00 1.07 H new ATOM 451 N PHE A 31 3.210 4.439 -4.509 1.00 0.54 N ATOM 452 CA PHE A 31 2.985 5.430 -3.473 1.00 0.57 C ATOM 453 C PHE A 31 2.468 6.755 -4.051 1.00 0.53 C ATOM 454 O PHE A 31 1.400 7.229 -3.657 1.00 0.61 O ATOM 455 CB PHE A 31 4.306 5.585 -2.701 1.00 0.81 C ATOM 456 CG PHE A 31 4.508 6.916 -2.027 1.00 1.46 C ATOM 457 CD1 PHE A 31 3.495 7.410 -1.201 1.00 2.54 C ATOM 458 CD2 PHE A 31 5.625 7.721 -2.325 1.00 3.14 C ATOM 459 CE1 PHE A 31 3.597 8.703 -0.689 1.00 4.08 C ATOM 460 CE2 PHE A 31 5.787 8.966 -1.693 1.00 4.53 C ATOM 461 CZ PHE A 31 4.780 9.446 -0.843 1.00 4.77 C ATOM 0 H PHE A 31 4.071 3.914 -4.354 1.00 0.54 H new ATOM 0 HA PHE A 31 2.200 5.104 -2.791 1.00 0.57 H new ATOM 0 HB2 PHE A 31 4.359 4.802 -1.944 1.00 0.81 H new ATOM 0 HB3 PHE A 31 5.133 5.417 -3.392 1.00 0.81 H new ATOM 0 HD1 PHE A 31 2.640 6.795 -0.961 1.00 2.54 H new ATOM 0 HD2 PHE A 31 6.359 7.381 -3.041 1.00 3.14 H new ATOM 0 HE1 PHE A 31 2.757 9.139 -0.168 1.00 4.08 H new ATOM 0 HE2 PHE A 31 6.681 9.549 -1.861 1.00 4.53 H new ATOM 0 HZ PHE A 31 4.912 10.377 -0.312 1.00 4.77 H new ATOM 471 N GLN A 32 3.203 7.353 -4.991 1.00 0.46 N ATOM 472 CA GLN A 32 2.786 8.611 -5.581 1.00 0.49 C ATOM 473 C GLN A 32 1.541 8.374 -6.430 1.00 0.47 C ATOM 474 O GLN A 32 0.541 9.074 -6.287 1.00 0.60 O ATOM 475 CB GLN A 32 3.936 9.234 -6.384 1.00 0.53 C ATOM 476 CG GLN A 32 3.524 10.594 -6.967 1.00 1.52 C ATOM 477 CD GLN A 32 4.698 11.320 -7.616 1.00 1.56 C ATOM 478 OE1 GLN A 32 4.770 11.434 -8.834 1.00 2.90 O ATOM 479 NE2 GLN A 32 5.618 11.836 -6.809 1.00 1.65 N ATOM 0 H GLN A 32 4.082 6.984 -5.353 1.00 0.46 H new ATOM 0 HA GLN A 32 2.530 9.327 -4.800 1.00 0.49 H new ATOM 0 HB2 GLN A 32 4.808 9.358 -5.742 1.00 0.53 H new ATOM 0 HB3 GLN A 32 4.228 8.561 -7.191 1.00 0.53 H new ATOM 0 HG2 GLN A 32 2.736 10.447 -7.706 1.00 1.52 H new ATOM 0 HG3 GLN A 32 3.107 11.216 -6.175 1.00 1.52 H new ATOM 0 HE21 GLN A 32 5.531 11.725 -5.799 1.00 1.65 H new ATOM 0 HE22 GLN A 32 6.412 12.344 -7.199 1.00 1.65 H new ATOM 488 N THR A 33 1.605 7.377 -7.314 1.00 0.39 N ATOM 489 CA THR A 33 0.604 7.119 -8.318 1.00 0.42 C ATOM 490 C THR A 33 -0.741 6.723 -7.707 1.00 0.51 C ATOM 491 O THR A 33 -1.743 6.831 -8.398 1.00 0.70 O ATOM 492 CB THR A 33 1.159 6.090 -9.323 1.00 0.41 C ATOM 493 OG1 THR A 33 0.847 6.527 -10.613 1.00 0.50 O ATOM 494 CG2 THR A 33 0.579 4.687 -9.170 1.00 0.44 C ATOM 0 H THR A 33 2.381 6.716 -7.342 1.00 0.39 H new ATOM 0 HA THR A 33 0.389 8.037 -8.864 1.00 0.42 H new ATOM 0 HB THR A 33 2.230 6.023 -9.133 1.00 0.41 H new ATOM 0 HG1 THR A 33 1.193 5.886 -11.268 1.00 0.50 H new ATOM 0 HG21 THR A 33 1.023 4.027 -9.915 1.00 0.44 H new ATOM 0 HG22 THR A 33 0.800 4.309 -8.172 1.00 0.44 H new ATOM 0 HG23 THR A 33 -0.501 4.722 -9.314 1.00 0.44 H new ATOM 502 N SER A 34 -0.753 6.255 -6.450 1.00 0.46 N ATOM 503 CA SER A 34 -1.945 5.891 -5.694 1.00 0.60 C ATOM 504 C SER A 34 -2.521 7.084 -4.919 1.00 0.75 C ATOM 505 O SER A 34 -3.608 6.996 -4.341 1.00 1.13 O ATOM 506 CB SER A 34 -1.627 4.743 -4.734 1.00 0.65 C ATOM 507 OG SER A 34 -0.573 5.086 -3.859 1.00 2.21 O ATOM 0 H SER A 34 0.106 6.117 -5.917 1.00 0.46 H new ATOM 0 HA SER A 34 -2.702 5.569 -6.409 1.00 0.60 H new ATOM 0 HB2 SER A 34 -2.516 4.492 -4.156 1.00 0.65 H new ATOM 0 HB3 SER A 34 -1.356 3.854 -5.303 1.00 0.65 H new ATOM 0 HG SER A 34 0.284 4.975 -4.320 1.00 2.21 H new ATOM 513 N GLY A 35 -1.785 8.199 -4.878 1.00 0.59 N ATOM 514 CA GLY A 35 -2.263 9.448 -4.316 1.00 0.69 C ATOM 515 C GLY A 35 -2.096 9.481 -2.807 1.00 0.58 C ATOM 516 O GLY A 35 -2.496 10.444 -2.155 1.00 0.68 O ATOM 0 H GLY A 35 -0.833 8.251 -5.240 1.00 0.59 H new ATOM 0 HA2 GLY A 35 -1.718 10.280 -4.761 1.00 0.69 H new ATOM 0 HA3 GLY A 35 -3.314 9.583 -4.570 1.00 0.69 H new ATOM 520 N LEU A 36 -1.445 8.466 -2.245 1.00 0.53 N ATOM 521 CA LEU A 36 -1.206 8.390 -0.824 1.00 0.49 C ATOM 522 C LEU A 36 -0.238 9.505 -0.393 1.00 0.47 C ATOM 523 O LEU A 36 -0.355 10.028 0.712 1.00 0.47 O ATOM 524 CB LEU A 36 -0.740 6.971 -0.493 1.00 0.55 C ATOM 525 CG LEU A 36 -1.734 5.871 -0.914 1.00 0.76 C ATOM 526 CD1 LEU A 36 -1.150 4.502 -0.550 1.00 1.24 C ATOM 527 CD2 LEU A 36 -3.109 6.028 -0.258 1.00 1.20 C ATOM 0 H LEU A 36 -1.071 7.676 -2.771 1.00 0.53 H new ATOM 0 HA LEU A 36 -2.114 8.567 -0.247 1.00 0.49 H new ATOM 0 HB2 LEU A 36 0.216 6.790 -0.984 1.00 0.55 H new ATOM 0 HB3 LEU A 36 -0.566 6.898 0.581 1.00 0.55 H new ATOM 0 HG LEU A 36 -1.881 5.960 -1.990 1.00 0.76 H new ATOM 0 HD11 LEU A 36 -1.848 3.719 -0.845 1.00 1.24 H new ATOM 0 HD12 LEU A 36 -0.203 4.360 -1.072 1.00 1.24 H new ATOM 0 HD13 LEU A 36 -0.982 4.452 0.526 1.00 1.24 H new ATOM 0 HD21 LEU A 36 -3.766 5.225 -0.593 1.00 1.20 H new ATOM 0 HD22 LEU A 36 -3.002 5.982 0.826 1.00 1.20 H new ATOM 0 HD23 LEU A 36 -3.539 6.989 -0.540 1.00 1.20 H new ATOM 539 N SER A 37 0.656 9.942 -1.289 1.00 0.52 N ATOM 540 CA SER A 37 1.423 11.178 -1.125 1.00 0.69 C ATOM 541 C SER A 37 0.513 12.400 -0.981 1.00 0.77 C ATOM 542 O SER A 37 0.824 13.348 -0.266 1.00 0.95 O ATOM 543 CB SER A 37 2.274 11.365 -2.387 1.00 1.06 C ATOM 544 OG SER A 37 1.448 11.224 -3.531 1.00 2.65 O ATOM 0 H SER A 37 0.867 9.443 -2.153 1.00 0.52 H new ATOM 0 HA SER A 37 2.028 11.096 -0.222 1.00 0.69 H new ATOM 0 HB2 SER A 37 2.743 12.349 -2.381 1.00 1.06 H new ATOM 0 HB3 SER A 37 3.078 10.629 -2.411 1.00 1.06 H new ATOM 0 HG SER A 37 1.945 11.499 -4.329 1.00 2.65 H new ATOM 550 N LYS A 38 -0.581 12.398 -1.739 1.00 0.74 N ATOM 551 CA LYS A 38 -1.439 13.542 -1.975 1.00 0.91 C ATOM 552 C LYS A 38 -2.430 13.666 -0.821 1.00 0.90 C ATOM 553 O LYS A 38 -2.912 14.756 -0.529 1.00 1.21 O ATOM 554 CB LYS A 38 -2.121 13.345 -3.346 1.00 1.04 C ATOM 555 CG LYS A 38 -2.330 14.651 -4.126 1.00 1.48 C ATOM 556 CD LYS A 38 -2.334 14.458 -5.656 1.00 2.58 C ATOM 557 CE LYS A 38 -3.420 13.501 -6.190 1.00 4.74 C ATOM 558 NZ LYS A 38 -2.904 12.145 -6.484 1.00 5.99 N ATOM 0 H LYS A 38 -0.902 11.560 -2.224 1.00 0.74 H new ATOM 0 HA LYS A 38 -0.880 14.477 -2.010 1.00 0.91 H new ATOM 0 HB2 LYS A 38 -1.517 12.666 -3.948 1.00 1.04 H new ATOM 0 HB3 LYS A 38 -3.087 12.864 -3.195 1.00 1.04 H new ATOM 0 HG2 LYS A 38 -3.276 15.100 -3.822 1.00 1.48 H new ATOM 0 HG3 LYS A 38 -1.542 15.355 -3.858 1.00 1.48 H new ATOM 0 HD2 LYS A 38 -2.464 15.431 -6.129 1.00 2.58 H new ATOM 0 HD3 LYS A 38 -1.358 14.082 -5.962 1.00 2.58 H new ATOM 0 HE2 LYS A 38 -4.223 13.427 -5.457 1.00 4.74 H new ATOM 0 HE3 LYS A 38 -3.854 13.923 -7.097 1.00 4.74 H new ATOM 0 HZ1 LYS A 38 -3.662 11.447 -6.342 1.00 5.99 H new ATOM 0 HZ2 LYS A 38 -2.576 12.105 -7.470 1.00 5.99 H new ATOM 0 HZ3 LYS A 38 -2.111 11.930 -5.847 1.00 5.99 H new ATOM 572 N MET A 39 -2.730 12.533 -0.176 1.00 0.63 N ATOM 573 CA MET A 39 -3.688 12.442 0.904 1.00 0.74 C ATOM 574 C MET A 39 -3.416 13.418 2.060 1.00 1.30 C ATOM 575 O MET A 39 -4.260 14.267 2.338 1.00 3.39 O ATOM 576 CB MET A 39 -3.715 10.988 1.390 1.00 0.44 C ATOM 577 CG MET A 39 -4.844 10.203 0.730 1.00 0.78 C ATOM 578 SD MET A 39 -4.986 8.502 1.319 1.00 2.54 S ATOM 579 CE MET A 39 -6.445 8.022 0.377 1.00 3.52 C ATOM 0 H MET A 39 -2.296 11.639 -0.405 1.00 0.63 H new ATOM 0 HA MET A 39 -4.664 12.740 0.521 1.00 0.74 H new ATOM 0 HB2 MET A 39 -2.760 10.511 1.169 1.00 0.44 H new ATOM 0 HB3 MET A 39 -3.839 10.967 2.473 1.00 0.44 H new ATOM 0 HG2 MET A 39 -5.787 10.720 0.909 1.00 0.78 H new ATOM 0 HG3 MET A 39 -4.685 10.193 -0.348 1.00 0.78 H new ATOM 0 HE1 MET A 39 -6.387 6.961 0.132 1.00 3.52 H new ATOM 0 HE2 MET A 39 -7.339 8.209 0.971 1.00 3.52 H new ATOM 0 HE3 MET A 39 -6.492 8.605 -0.543 1.00 3.52 H new ATOM 589 N SER A 40 -2.286 13.240 2.764 1.00 0.84 N ATOM 590 CA SER A 40 -1.882 13.854 4.038 1.00 0.68 C ATOM 591 C SER A 40 -1.732 12.748 5.078 1.00 0.57 C ATOM 592 O SER A 40 -2.513 11.797 5.067 1.00 0.52 O ATOM 593 CB SER A 40 -2.864 14.908 4.583 1.00 0.78 C ATOM 594 OG SER A 40 -2.477 15.330 5.881 1.00 1.85 O ATOM 0 H SER A 40 -1.566 12.603 2.423 1.00 0.84 H new ATOM 0 HA SER A 40 -0.947 14.380 3.844 1.00 0.68 H new ATOM 0 HB2 SER A 40 -2.895 15.765 3.911 1.00 0.78 H new ATOM 0 HB3 SER A 40 -3.871 14.492 4.616 1.00 0.78 H new ATOM 0 HG SER A 40 -3.112 16.001 6.210 1.00 1.85 H new ATOM 600 N ALA A 41 -0.797 12.907 6.024 1.00 0.58 N ATOM 601 CA ALA A 41 -0.677 12.050 7.201 1.00 0.49 C ATOM 602 C ALA A 41 -2.042 11.740 7.814 1.00 0.53 C ATOM 603 O ALA A 41 -2.267 10.625 8.273 1.00 0.56 O ATOM 604 CB ALA A 41 0.201 12.723 8.259 1.00 0.57 C ATOM 0 H ALA A 41 -0.095 13.646 5.989 1.00 0.58 H new ATOM 0 HA ALA A 41 -0.221 11.115 6.876 1.00 0.49 H new ATOM 0 HB1 ALA A 41 0.282 12.074 9.131 1.00 0.57 H new ATOM 0 HB2 ALA A 41 1.194 12.903 7.847 1.00 0.57 H new ATOM 0 HB3 ALA A 41 -0.247 13.672 8.554 1.00 0.57 H new ATOM 610 N ASN A 42 -2.947 12.723 7.818 1.00 0.69 N ATOM 611 CA ASN A 42 -4.278 12.570 8.394 1.00 0.79 C ATOM 612 C ASN A 42 -5.015 11.435 7.682 1.00 0.68 C ATOM 613 O ASN A 42 -5.339 10.404 8.272 1.00 0.71 O ATOM 614 CB ASN A 42 -5.067 13.885 8.276 1.00 0.95 C ATOM 615 CG ASN A 42 -4.395 15.058 8.984 1.00 1.27 C ATOM 616 OD1 ASN A 42 -3.631 14.877 9.927 1.00 1.78 O ATOM 617 ND2 ASN A 42 -4.654 16.278 8.520 1.00 1.82 N ATOM 0 H ASN A 42 -2.773 13.646 7.421 1.00 0.69 H new ATOM 0 HA ASN A 42 -4.185 12.324 9.452 1.00 0.79 H new ATOM 0 HB2 ASN A 42 -5.194 14.131 7.222 1.00 0.95 H new ATOM 0 HB3 ASN A 42 -6.064 13.741 8.693 1.00 0.95 H new ATOM 0 HD21 ASN A 42 -4.213 17.091 8.950 1.00 1.82 H new ATOM 0 HD22 ASN A 42 -5.293 16.400 7.735 1.00 1.82 H new ATOM 624 N GLN A 43 -5.250 11.622 6.382 1.00 0.60 N ATOM 625 CA GLN A 43 -5.951 10.652 5.564 1.00 0.53 C ATOM 626 C GLN A 43 -5.195 9.323 5.544 1.00 0.47 C ATOM 627 O GLN A 43 -5.816 8.271 5.622 1.00 0.55 O ATOM 628 CB GLN A 43 -6.158 11.216 4.153 1.00 0.48 C ATOM 629 CG GLN A 43 -7.326 12.209 4.068 1.00 1.01 C ATOM 630 CD GLN A 43 -8.679 11.597 4.429 1.00 1.44 C ATOM 631 OE1 GLN A 43 -9.455 12.200 5.159 1.00 3.02 O ATOM 632 NE2 GLN A 43 -8.976 10.397 3.935 1.00 1.20 N ATOM 0 H GLN A 43 -4.955 12.455 5.873 1.00 0.60 H new ATOM 0 HA GLN A 43 -6.933 10.456 5.994 1.00 0.53 H new ATOM 0 HB2 GLN A 43 -5.243 11.711 3.828 1.00 0.48 H new ATOM 0 HB3 GLN A 43 -6.337 10.393 3.462 1.00 0.48 H new ATOM 0 HG2 GLN A 43 -7.127 13.048 4.734 1.00 1.01 H new ATOM 0 HG3 GLN A 43 -7.377 12.611 3.056 1.00 1.01 H new ATOM 0 HE21 GLN A 43 -8.311 9.916 3.329 1.00 1.20 H new ATOM 0 HE22 GLN A 43 -9.868 9.958 4.163 1.00 1.20 H new ATOM 641 N VAL A 44 -3.864 9.348 5.462 1.00 0.40 N ATOM 642 CA VAL A 44 -3.066 8.136 5.432 1.00 0.43 C ATOM 643 C VAL A 44 -3.251 7.356 6.743 1.00 0.55 C ATOM 644 O VAL A 44 -3.414 6.135 6.731 1.00 0.65 O ATOM 645 CB VAL A 44 -1.606 8.516 5.152 1.00 0.39 C ATOM 646 CG1 VAL A 44 -0.677 7.302 5.184 1.00 0.48 C ATOM 647 CG2 VAL A 44 -1.470 9.159 3.763 1.00 0.42 C ATOM 0 H VAL A 44 -3.317 10.208 5.415 1.00 0.40 H new ATOM 0 HA VAL A 44 -3.391 7.471 4.632 1.00 0.43 H new ATOM 0 HB VAL A 44 -1.320 9.215 5.938 1.00 0.39 H new ATOM 0 HG11 VAL A 44 0.345 7.621 4.980 1.00 0.48 H new ATOM 0 HG12 VAL A 44 -0.722 6.835 6.168 1.00 0.48 H new ATOM 0 HG13 VAL A 44 -0.991 6.584 4.427 1.00 0.48 H new ATOM 0 HG21 VAL A 44 -0.427 9.421 3.584 1.00 0.42 H new ATOM 0 HG22 VAL A 44 -1.803 8.454 3.001 1.00 0.42 H new ATOM 0 HG23 VAL A 44 -2.083 10.059 3.717 1.00 0.42 H new ATOM 657 N LYS A 45 -3.259 8.049 7.886 1.00 0.60 N ATOM 658 CA LYS A 45 -3.553 7.426 9.169 1.00 0.77 C ATOM 659 C LYS A 45 -4.955 6.807 9.144 1.00 0.80 C ATOM 660 O LYS A 45 -5.146 5.706 9.660 1.00 0.94 O ATOM 661 CB LYS A 45 -3.389 8.442 10.307 1.00 0.90 C ATOM 662 CG LYS A 45 -3.464 7.755 11.676 1.00 1.11 C ATOM 663 CD LYS A 45 -3.431 8.764 12.833 1.00 1.79 C ATOM 664 CE LYS A 45 -2.172 9.644 12.889 1.00 2.88 C ATOM 665 NZ LYS A 45 -0.921 8.859 12.899 1.00 3.10 N ATOM 0 H LYS A 45 -3.063 9.048 7.943 1.00 0.60 H new ATOM 0 HA LYS A 45 -2.842 6.621 9.352 1.00 0.77 H new ATOM 0 HB2 LYS A 45 -2.432 8.955 10.206 1.00 0.90 H new ATOM 0 HB3 LYS A 45 -4.167 9.202 10.235 1.00 0.90 H new ATOM 0 HG2 LYS A 45 -4.379 7.166 11.736 1.00 1.11 H new ATOM 0 HG3 LYS A 45 -2.631 7.060 11.778 1.00 1.11 H new ATOM 0 HD2 LYS A 45 -4.305 9.411 12.757 1.00 1.79 H new ATOM 0 HD3 LYS A 45 -3.518 8.219 13.773 1.00 1.79 H new ATOM 0 HE2 LYS A 45 -2.166 10.316 12.031 1.00 2.88 H new ATOM 0 HE3 LYS A 45 -2.211 10.268 13.782 1.00 2.88 H new ATOM 0 HZ1 LYS A 45 -0.290 9.221 13.642 1.00 3.10 H new ATOM 0 HZ2 LYS A 45 -1.140 7.860 13.087 1.00 3.10 H new ATOM 0 HZ3 LYS A 45 -0.451 8.943 11.975 1.00 3.10 H new ATOM 679 N ASP A 46 -5.931 7.503 8.556 1.00 0.71 N ATOM 680 CA ASP A 46 -7.268 6.950 8.389 1.00 0.73 C ATOM 681 C ASP A 46 -7.234 5.667 7.559 1.00 0.67 C ATOM 682 O ASP A 46 -7.634 4.612 8.049 1.00 0.77 O ATOM 683 CB ASP A 46 -8.261 7.996 7.862 1.00 0.72 C ATOM 684 CG ASP A 46 -9.120 8.576 8.983 1.00 1.76 C ATOM 685 OD1 ASP A 46 -8.578 8.762 10.095 1.00 3.06 O ATOM 686 OD2 ASP A 46 -10.319 8.795 8.713 1.00 2.41 O ATOM 0 H ASP A 46 -5.816 8.448 8.190 1.00 0.71 H new ATOM 0 HA ASP A 46 -7.642 6.668 9.373 1.00 0.73 H new ATOM 0 HB2 ASP A 46 -7.715 8.800 7.369 1.00 0.72 H new ATOM 0 HB3 ASP A 46 -8.904 7.540 7.110 1.00 0.72 H new ATOM 691 N VAL A 47 -6.736 5.720 6.319 1.00 0.56 N ATOM 692 CA VAL A 47 -6.725 4.539 5.462 1.00 0.57 C ATOM 693 C VAL A 47 -5.982 3.382 6.134 1.00 0.64 C ATOM 694 O VAL A 47 -6.463 2.251 6.088 1.00 0.68 O ATOM 695 CB VAL A 47 -6.238 4.825 4.029 1.00 0.50 C ATOM 696 CG1 VAL A 47 -6.924 6.059 3.436 1.00 0.48 C ATOM 697 CG2 VAL A 47 -4.722 4.923 3.868 1.00 0.54 C ATOM 0 H VAL A 47 -6.341 6.559 5.894 1.00 0.56 H new ATOM 0 HA VAL A 47 -7.762 4.227 5.337 1.00 0.57 H new ATOM 0 HB VAL A 47 -6.533 3.941 3.464 1.00 0.50 H new ATOM 0 HG11 VAL A 47 -6.555 6.229 2.425 1.00 0.48 H new ATOM 0 HG12 VAL A 47 -8.002 5.898 3.407 1.00 0.48 H new ATOM 0 HG13 VAL A 47 -6.704 6.930 4.054 1.00 0.48 H new ATOM 0 HG21 VAL A 47 -4.479 5.126 2.825 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -4.341 5.731 4.493 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -4.262 3.982 4.171 1.00 0.54 H new ATOM 707 N PHE A 48 -4.856 3.667 6.803 1.00 0.68 N ATOM 708 CA PHE A 48 -4.122 2.699 7.614 1.00 0.81 C ATOM 709 C PHE A 48 -5.062 1.858 8.493 1.00 0.79 C ATOM 710 O PHE A 48 -4.921 0.639 8.531 1.00 0.84 O ATOM 711 CB PHE A 48 -3.017 3.394 8.427 1.00 0.97 C ATOM 712 CG PHE A 48 -2.631 2.669 9.703 1.00 2.10 C ATOM 713 CD1 PHE A 48 -1.950 1.439 9.629 1.00 2.81 C ATOM 714 CD2 PHE A 48 -3.194 3.082 10.925 1.00 3.59 C ATOM 715 CE1 PHE A 48 -1.887 0.601 10.756 1.00 4.20 C ATOM 716 CE2 PHE A 48 -3.156 2.232 12.043 1.00 4.96 C ATOM 717 CZ PHE A 48 -2.534 0.975 11.946 1.00 5.09 C ATOM 0 H PHE A 48 -4.427 4.592 6.792 1.00 0.68 H new ATOM 0 HA PHE A 48 -3.633 1.997 6.939 1.00 0.81 H new ATOM 0 HB2 PHE A 48 -2.132 3.498 7.800 1.00 0.97 H new ATOM 0 HB3 PHE A 48 -3.348 4.401 8.681 1.00 0.97 H new ATOM 0 HD1 PHE A 48 -1.476 1.139 8.706 1.00 2.81 H new ATOM 0 HD2 PHE A 48 -3.656 4.055 11.003 1.00 3.59 H new ATOM 0 HE1 PHE A 48 -1.342 -0.330 10.707 1.00 4.20 H new ATOM 0 HE2 PHE A 48 -3.604 2.544 12.975 1.00 4.96 H new ATOM 0 HZ PHE A 48 -2.553 0.297 12.786 1.00 5.09 H new ATOM 727 N ARG A 49 -6.045 2.475 9.161 1.00 0.78 N ATOM 728 CA ARG A 49 -6.997 1.727 9.985 1.00 0.80 C ATOM 729 C ARG A 49 -7.742 0.684 9.147 1.00 0.57 C ATOM 730 O ARG A 49 -8.013 -0.416 9.618 1.00 0.62 O ATOM 731 CB ARG A 49 -8.005 2.678 10.642 1.00 0.99 C ATOM 732 CG ARG A 49 -7.344 3.640 11.644 1.00 1.44 C ATOM 733 CD ARG A 49 -7.936 5.059 11.572 1.00 2.12 C ATOM 734 NE ARG A 49 -8.451 5.556 12.856 1.00 2.99 N ATOM 735 CZ ARG A 49 -7.679 5.994 13.861 1.00 3.25 C ATOM 736 NH1 ARG A 49 -6.358 5.796 13.807 1.00 3.35 N ATOM 737 NH2 ARG A 49 -8.227 6.621 14.908 1.00 4.51 N ATOM 0 H ARG A 49 -6.200 3.483 9.146 1.00 0.78 H new ATOM 0 HA ARG A 49 -6.433 1.213 10.763 1.00 0.80 H new ATOM 0 HB2 ARG A 49 -8.511 3.256 9.869 1.00 0.99 H new ATOM 0 HB3 ARG A 49 -8.769 2.094 11.155 1.00 0.99 H new ATOM 0 HG2 ARG A 49 -7.466 3.249 12.654 1.00 1.44 H new ATOM 0 HG3 ARG A 49 -6.273 3.686 11.447 1.00 1.44 H new ATOM 0 HD2 ARG A 49 -7.169 5.744 11.210 1.00 2.12 H new ATOM 0 HD3 ARG A 49 -8.743 5.068 10.840 1.00 2.12 H new ATOM 0 HE ARG A 49 -9.462 5.568 12.991 1.00 2.99 H new ATOM 0 HH11 ARG A 49 -5.947 5.316 13.007 1.00 3.35 H new ATOM 0 HH12 ARG A 49 -5.762 6.125 14.566 1.00 3.35 H new ATOM 0 HH21 ARG A 49 -9.236 6.767 14.944 1.00 4.51 H new ATOM 0 HH22 ARG A 49 -7.636 6.953 15.670 1.00 4.51 H new ATOM 751 N PHE A 50 -8.088 1.036 7.905 1.00 0.43 N ATOM 752 CA PHE A 50 -8.765 0.135 6.985 1.00 0.42 C ATOM 753 C PHE A 50 -7.794 -0.944 6.491 1.00 0.49 C ATOM 754 O PHE A 50 -8.200 -2.081 6.251 1.00 0.64 O ATOM 755 CB PHE A 50 -9.368 0.947 5.826 1.00 0.50 C ATOM 756 CG PHE A 50 -10.693 0.413 5.316 1.00 1.28 C ATOM 757 CD1 PHE A 50 -11.861 0.629 6.072 1.00 2.10 C ATOM 758 CD2 PHE A 50 -10.773 -0.276 4.091 1.00 2.66 C ATOM 759 CE1 PHE A 50 -13.102 0.164 5.606 1.00 2.85 C ATOM 760 CE2 PHE A 50 -12.013 -0.762 3.637 1.00 3.57 C ATOM 761 CZ PHE A 50 -13.180 -0.532 4.387 1.00 3.32 C ATOM 0 H PHE A 50 -7.903 1.960 7.514 1.00 0.43 H new ATOM 0 HA PHE A 50 -9.580 -0.377 7.496 1.00 0.42 H new ATOM 0 HB2 PHE A 50 -9.506 1.978 6.153 1.00 0.50 H new ATOM 0 HB3 PHE A 50 -8.655 0.967 5.001 1.00 0.50 H new ATOM 0 HD1 PHE A 50 -11.803 1.154 7.014 1.00 2.10 H new ATOM 0 HD2 PHE A 50 -9.883 -0.432 3.500 1.00 2.66 H new ATOM 0 HE1 PHE A 50 -13.997 0.341 6.184 1.00 2.85 H new ATOM 0 HE2 PHE A 50 -12.069 -1.313 2.710 1.00 3.57 H new ATOM 0 HZ PHE A 50 -14.134 -0.889 4.028 1.00 3.32 H new ATOM 771 N ILE A 51 -6.516 -0.585 6.321 1.00 0.62 N ATOM 772 CA ILE A 51 -5.481 -1.525 5.902 1.00 0.89 C ATOM 773 C ILE A 51 -5.260 -2.587 6.980 1.00 0.72 C ATOM 774 O ILE A 51 -5.327 -3.778 6.682 1.00 1.11 O ATOM 775 CB ILE A 51 -4.160 -0.813 5.543 1.00 1.36 C ATOM 776 CG1 ILE A 51 -4.297 0.293 4.481 1.00 1.80 C ATOM 777 CG2 ILE A 51 -3.135 -1.849 5.068 1.00 1.62 C ATOM 778 CD1 ILE A 51 -5.328 0.015 3.388 1.00 1.24 C ATOM 0 H ILE A 51 -6.175 0.365 6.471 1.00 0.62 H new ATOM 0 HA ILE A 51 -5.830 -2.017 4.994 1.00 0.89 H new ATOM 0 HB ILE A 51 -3.831 -0.315 6.455 1.00 1.36 H new ATOM 0 HG12 ILE A 51 -4.562 1.225 4.981 1.00 1.80 H new ATOM 0 HG13 ILE A 51 -3.325 0.448 4.012 1.00 1.80 H new ATOM 0 HG21 ILE A 51 -2.201 -1.347 4.814 1.00 1.62 H new ATOM 0 HG22 ILE A 51 -2.954 -2.572 5.863 1.00 1.62 H new ATOM 0 HG23 ILE A 51 -3.520 -2.365 4.189 1.00 1.62 H new ATOM 0 HD11 ILE A 51 -5.351 0.851 2.688 1.00 1.24 H new ATOM 0 HD12 ILE A 51 -5.057 -0.897 2.856 1.00 1.24 H new ATOM 0 HD13 ILE A 51 -6.313 -0.108 3.839 1.00 1.24 H new ATOM 790 N ASP A 52 -4.982 -2.171 8.223 1.00 1.01 N ATOM 791 CA ASP A 52 -4.721 -3.081 9.334 1.00 0.97 C ATOM 792 C ASP A 52 -6.055 -3.675 9.799 1.00 1.17 C ATOM 793 O ASP A 52 -6.545 -3.383 10.885 1.00 2.00 O ATOM 794 CB ASP A 52 -3.932 -2.366 10.449 1.00 1.00 C ATOM 795 CG ASP A 52 -3.031 -3.330 11.212 1.00 0.90 C ATOM 796 OD1 ASP A 52 -3.528 -4.279 11.851 1.00 1.33 O ATOM 797 OD2 ASP A 52 -1.797 -3.264 11.087 1.00 1.80 O ATOM 0 H ASP A 52 -4.933 -1.186 8.482 1.00 1.01 H new ATOM 0 HA ASP A 52 -4.085 -3.909 9.020 1.00 0.97 H new ATOM 0 HB2 ASP A 52 -3.327 -1.571 10.014 1.00 1.00 H new ATOM 0 HB3 ASP A 52 -4.629 -1.894 11.142 1.00 1.00 H new ATOM 802 N ASN A 53 -6.660 -4.495 8.940 1.00 0.68 N ATOM 803 CA ASN A 53 -7.994 -5.069 9.078 1.00 0.85 C ATOM 804 C ASN A 53 -8.194 -5.731 10.441 1.00 0.90 C ATOM 805 O ASN A 53 -9.261 -5.640 11.043 1.00 1.67 O ATOM 806 CB ASN A 53 -8.169 -6.095 7.953 1.00 1.02 C ATOM 807 CG ASN A 53 -9.564 -6.712 7.918 1.00 1.20 C ATOM 808 OD1 ASN A 53 -10.448 -6.222 7.217 1.00 1.92 O ATOM 809 ND2 ASN A 53 -9.767 -7.829 8.605 1.00 1.12 N ATOM 0 H ASN A 53 -6.203 -4.793 8.078 1.00 0.68 H new ATOM 0 HA ASN A 53 -8.741 -4.278 9.008 1.00 0.85 H new ATOM 0 HB2 ASN A 53 -7.967 -5.614 6.996 1.00 1.02 H new ATOM 0 HB3 ASN A 53 -7.431 -6.888 8.074 1.00 1.02 H new ATOM 0 HD21 ASN A 53 -10.671 -8.299 8.558 1.00 1.12 H new ATOM 0 HD22 ASN A 53 -9.019 -8.217 9.180 1.00 1.12 H new ATOM 816 N ASP A 54 -7.152 -6.423 10.894 1.00 0.66 N ATOM 817 CA ASP A 54 -7.057 -7.121 12.166 1.00 0.62 C ATOM 818 C ASP A 54 -6.768 -6.167 13.336 1.00 0.60 C ATOM 819 O ASP A 54 -7.038 -6.505 14.485 1.00 0.89 O ATOM 820 CB ASP A 54 -5.909 -8.122 12.026 1.00 0.89 C ATOM 821 CG ASP A 54 -4.626 -7.369 11.737 1.00 1.26 C ATOM 822 OD1 ASP A 54 -4.471 -6.789 10.641 1.00 2.30 O ATOM 823 OD2 ASP A 54 -3.772 -7.212 12.626 1.00 2.33 O ATOM 0 H ASP A 54 -6.298 -6.515 10.344 1.00 0.66 H new ATOM 0 HA ASP A 54 -8.007 -7.607 12.389 1.00 0.62 H new ATOM 0 HB2 ASP A 54 -5.805 -8.705 12.941 1.00 0.89 H new ATOM 0 HB3 ASP A 54 -6.121 -8.827 11.222 1.00 0.89 H new ATOM 828 N GLN A 55 -6.197 -4.994 13.052 1.00 0.58 N ATOM 829 CA GLN A 55 -5.802 -3.975 14.014 1.00 0.83 C ATOM 830 C GLN A 55 -4.723 -4.450 15.001 1.00 0.94 C ATOM 831 O GLN A 55 -4.636 -3.938 16.115 1.00 1.28 O ATOM 832 CB GLN A 55 -7.040 -3.325 14.670 1.00 1.02 C ATOM 833 CG GLN A 55 -7.427 -2.035 13.933 1.00 1.98 C ATOM 834 CD GLN A 55 -8.640 -1.363 14.564 1.00 2.25 C ATOM 835 OE1 GLN A 55 -8.540 -0.270 15.115 1.00 3.06 O ATOM 836 NE2 GLN A 55 -9.801 -2.005 14.488 1.00 2.29 N ATOM 0 H GLN A 55 -5.989 -4.720 12.092 1.00 0.58 H new ATOM 0 HA GLN A 55 -5.300 -3.179 13.464 1.00 0.83 H new ATOM 0 HB2 GLN A 55 -7.876 -4.024 14.654 1.00 1.02 H new ATOM 0 HB3 GLN A 55 -6.830 -3.103 15.716 1.00 1.02 H new ATOM 0 HG2 GLN A 55 -6.584 -1.345 13.942 1.00 1.98 H new ATOM 0 HG3 GLN A 55 -7.641 -2.263 12.889 1.00 1.98 H new ATOM 0 HE21 GLN A 55 -9.853 -2.912 14.024 1.00 2.29 H new ATOM 0 HE22 GLN A 55 -10.640 -1.591 14.894 1.00 2.29 H new ATOM 845 N SER A 56 -3.825 -5.353 14.587 1.00 0.93 N ATOM 846 CA SER A 56 -2.625 -5.652 15.361 1.00 1.06 C ATOM 847 C SER A 56 -1.755 -4.408 15.536 1.00 1.10 C ATOM 848 O SER A 56 -1.074 -4.268 16.548 1.00 1.41 O ATOM 849 CB SER A 56 -1.795 -6.765 14.703 1.00 1.06 C ATOM 850 OG SER A 56 -1.272 -6.382 13.433 1.00 1.00 O ATOM 0 H SER A 56 -3.911 -5.886 13.721 1.00 0.93 H new ATOM 0 HA SER A 56 -2.958 -5.994 16.341 1.00 1.06 H new ATOM 0 HB2 SER A 56 -0.972 -7.038 15.363 1.00 1.06 H new ATOM 0 HB3 SER A 56 -2.415 -7.653 14.583 1.00 1.06 H new ATOM 0 HG SER A 56 -1.942 -6.554 12.738 1.00 1.00 H new ATOM 856 N GLY A 57 -1.710 -3.554 14.507 1.00 0.95 N ATOM 857 CA GLY A 57 -0.736 -2.477 14.420 1.00 1.10 C ATOM 858 C GLY A 57 0.556 -2.933 13.736 1.00 1.04 C ATOM 859 O GLY A 57 1.436 -2.104 13.504 1.00 1.32 O ATOM 0 H GLY A 57 -2.351 -3.596 13.715 1.00 0.95 H new ATOM 0 HA2 GLY A 57 -1.166 -1.642 13.866 1.00 1.10 H new ATOM 0 HA3 GLY A 57 -0.508 -2.111 15.421 1.00 1.10 H new ATOM 863 N TYR A 58 0.667 -4.226 13.399 1.00 1.03 N ATOM 864 CA TYR A 58 1.718 -4.757 12.544 1.00 1.07 C ATOM 865 C TYR A 58 1.113 -5.168 11.208 1.00 0.98 C ATOM 866 O TYR A 58 -0.006 -5.686 11.155 1.00 0.77 O ATOM 867 CB TYR A 58 2.454 -5.919 13.222 1.00 1.17 C ATOM 868 CG TYR A 58 3.454 -5.475 14.271 1.00 1.29 C ATOM 869 CD1 TYR A 58 4.677 -4.904 13.866 1.00 2.00 C ATOM 870 CD2 TYR A 58 3.171 -5.621 15.640 1.00 2.55 C ATOM 871 CE1 TYR A 58 5.618 -4.495 14.826 1.00 2.14 C ATOM 872 CE2 TYR A 58 4.117 -5.219 16.599 1.00 2.71 C ATOM 873 CZ TYR A 58 5.337 -4.651 16.193 1.00 1.75 C ATOM 874 OH TYR A 58 6.248 -4.264 17.130 1.00 2.04 O ATOM 0 H TYR A 58 0.013 -4.938 13.723 1.00 1.03 H new ATOM 0 HA TYR A 58 2.465 -3.983 12.366 1.00 1.07 H new ATOM 0 HB2 TYR A 58 1.722 -6.580 13.687 1.00 1.17 H new ATOM 0 HB3 TYR A 58 2.973 -6.502 12.461 1.00 1.17 H new ATOM 0 HD1 TYR A 58 4.892 -4.780 12.815 1.00 2.00 H new ATOM 0 HD2 TYR A 58 2.227 -6.042 15.955 1.00 2.55 H new ATOM 0 HE1 TYR A 58 6.556 -4.061 14.513 1.00 2.14 H new ATOM 0 HE2 TYR A 58 3.906 -5.347 17.650 1.00 2.71 H new ATOM 0 HH TYR A 58 5.892 -4.442 18.026 1.00 2.04 H new ATOM 884 N LEU A 59 1.867 -4.895 10.146 1.00 1.19 N ATOM 885 CA LEU A 59 1.594 -5.213 8.768 1.00 0.96 C ATOM 886 C LEU A 59 2.710 -6.141 8.296 1.00 0.87 C ATOM 887 O LEU A 59 3.661 -5.739 7.624 1.00 0.77 O ATOM 888 CB LEU A 59 1.486 -3.899 7.977 1.00 0.86 C ATOM 889 CG LEU A 59 0.008 -3.527 7.810 1.00 1.19 C ATOM 890 CD1 LEU A 59 -0.150 -2.034 7.507 1.00 1.94 C ATOM 891 CD2 LEU A 59 -0.561 -4.358 6.657 1.00 2.72 C ATOM 0 H LEU A 59 2.756 -4.405 10.248 1.00 1.19 H new ATOM 0 HA LEU A 59 0.648 -5.733 8.620 1.00 0.96 H new ATOM 0 HB2 LEU A 59 2.016 -3.103 8.499 1.00 0.86 H new ATOM 0 HB3 LEU A 59 1.958 -4.009 7.000 1.00 0.86 H new ATOM 0 HG LEU A 59 -0.529 -3.735 8.735 1.00 1.19 H new ATOM 0 HD11 LEU A 59 -1.208 -1.796 7.393 1.00 1.94 H new ATOM 0 HD12 LEU A 59 0.267 -1.450 8.327 1.00 1.94 H new ATOM 0 HD13 LEU A 59 0.378 -1.792 6.585 1.00 1.94 H new ATOM 0 HD21 LEU A 59 -1.614 -4.112 6.516 1.00 2.72 H new ATOM 0 HD22 LEU A 59 -0.011 -4.136 5.742 1.00 2.72 H new ATOM 0 HD23 LEU A 59 -0.464 -5.418 6.890 1.00 2.72 H new ATOM 903 N ASP A 60 2.590 -7.393 8.725 1.00 1.10 N ATOM 904 CA ASP A 60 3.382 -8.532 8.288 1.00 1.22 C ATOM 905 C ASP A 60 3.112 -8.863 6.814 1.00 1.03 C ATOM 906 O ASP A 60 2.052 -8.545 6.273 1.00 0.85 O ATOM 907 CB ASP A 60 3.022 -9.734 9.174 1.00 1.49 C ATOM 908 CG ASP A 60 3.147 -9.411 10.655 1.00 1.92 C ATOM 909 OD1 ASP A 60 2.336 -8.589 11.133 1.00 1.86 O ATOM 910 OD2 ASP A 60 4.081 -9.963 11.279 1.00 2.70 O ATOM 0 H ASP A 60 1.897 -7.652 9.427 1.00 1.10 H new ATOM 0 HA ASP A 60 4.442 -8.293 8.380 1.00 1.22 H new ATOM 0 HB2 ASP A 60 2.002 -10.051 8.957 1.00 1.49 H new ATOM 0 HB3 ASP A 60 3.675 -10.572 8.930 1.00 1.49 H new ATOM 915 N GLU A 61 4.060 -9.542 6.160 1.00 1.16 N ATOM 916 CA GLU A 61 3.986 -9.863 4.738 1.00 1.10 C ATOM 917 C GLU A 61 2.670 -10.550 4.351 1.00 0.94 C ATOM 918 O GLU A 61 2.057 -10.186 3.350 1.00 0.90 O ATOM 919 CB GLU A 61 5.207 -10.692 4.320 1.00 1.45 C ATOM 920 CG GLU A 61 6.485 -9.847 4.379 1.00 1.60 C ATOM 921 CD GLU A 61 7.690 -10.640 3.891 1.00 2.71 C ATOM 922 OE1 GLU A 61 7.931 -10.612 2.665 1.00 3.76 O ATOM 923 OE2 GLU A 61 8.336 -11.268 4.756 1.00 3.32 O ATOM 0 H GLU A 61 4.908 -9.886 6.611 1.00 1.16 H new ATOM 0 HA GLU A 61 4.000 -8.922 4.188 1.00 1.10 H new ATOM 0 HB2 GLU A 61 5.307 -11.557 4.976 1.00 1.45 H new ATOM 0 HB3 GLU A 61 5.064 -11.074 3.309 1.00 1.45 H new ATOM 0 HG2 GLU A 61 6.362 -8.953 3.767 1.00 1.60 H new ATOM 0 HG3 GLU A 61 6.656 -9.512 5.402 1.00 1.60 H new ATOM 930 N GLU A 62 2.204 -11.521 5.141 1.00 0.99 N ATOM 931 CA GLU A 62 0.925 -12.166 4.869 1.00 0.93 C ATOM 932 C GLU A 62 -0.237 -11.163 4.876 1.00 0.86 C ATOM 933 O GLU A 62 -1.132 -11.275 4.039 1.00 0.89 O ATOM 934 CB GLU A 62 0.694 -13.341 5.827 1.00 1.16 C ATOM 935 CG GLU A 62 1.588 -14.528 5.444 1.00 2.35 C ATOM 936 CD GLU A 62 1.305 -15.738 6.323 1.00 2.58 C ATOM 937 OE1 GLU A 62 0.328 -16.447 6.001 1.00 2.81 O ATOM 938 OE2 GLU A 62 2.067 -15.923 7.295 1.00 3.47 O ATOM 0 H GLU A 62 2.691 -11.872 5.966 1.00 0.99 H new ATOM 0 HA GLU A 62 0.963 -12.574 3.859 1.00 0.93 H new ATOM 0 HB2 GLU A 62 0.908 -13.032 6.850 1.00 1.16 H new ATOM 0 HB3 GLU A 62 -0.353 -13.642 5.797 1.00 1.16 H new ATOM 0 HG2 GLU A 62 1.423 -14.788 4.399 1.00 2.35 H new ATOM 0 HG3 GLU A 62 2.636 -14.243 5.540 1.00 2.35 H new ATOM 945 N GLU A 63 -0.219 -10.157 5.760 1.00 0.89 N ATOM 946 CA GLU A 63 -1.206 -9.086 5.692 1.00 0.93 C ATOM 947 C GLU A 63 -1.007 -8.275 4.410 1.00 0.76 C ATOM 948 O GLU A 63 -1.979 -7.956 3.734 1.00 0.79 O ATOM 949 CB GLU A 63 -1.152 -8.168 6.916 1.00 1.10 C ATOM 950 CG GLU A 63 -1.653 -8.827 8.205 1.00 1.72 C ATOM 951 CD GLU A 63 -1.729 -7.808 9.331 1.00 1.14 C ATOM 952 OE1 GLU A 63 -1.883 -6.592 9.084 1.00 1.94 O ATOM 953 OE2 GLU A 63 -1.700 -8.162 10.527 1.00 2.00 O ATOM 0 H GLU A 63 0.459 -10.067 6.517 1.00 0.89 H new ATOM 0 HA GLU A 63 -2.193 -9.549 5.682 1.00 0.93 H new ATOM 0 HB2 GLU A 63 -0.125 -7.836 7.064 1.00 1.10 H new ATOM 0 HB3 GLU A 63 -1.749 -7.278 6.718 1.00 1.10 H new ATOM 0 HG2 GLU A 63 -2.637 -9.266 8.037 1.00 1.72 H new ATOM 0 HG3 GLU A 63 -0.985 -9.641 8.488 1.00 1.72 H new ATOM 960 N LEU A 64 0.237 -7.955 4.040 1.00 0.65 N ATOM 961 CA LEU A 64 0.479 -7.299 2.754 1.00 0.61 C ATOM 962 C LEU A 64 -0.073 -8.134 1.593 1.00 0.58 C ATOM 963 O LEU A 64 -0.511 -7.567 0.595 1.00 0.90 O ATOM 964 CB LEU A 64 1.957 -6.964 2.511 1.00 0.74 C ATOM 965 CG LEU A 64 2.438 -5.677 3.195 1.00 1.06 C ATOM 966 CD1 LEU A 64 2.581 -5.833 4.710 1.00 2.73 C ATOM 967 CD2 LEU A 64 3.802 -5.293 2.613 1.00 2.06 C ATOM 0 H LEU A 64 1.072 -8.134 4.597 1.00 0.65 H new ATOM 0 HA LEU A 64 -0.057 -6.351 2.799 1.00 0.61 H new ATOM 0 HB2 LEU A 64 2.568 -7.796 2.861 1.00 0.74 H new ATOM 0 HB3 LEU A 64 2.125 -6.875 1.438 1.00 0.74 H new ATOM 0 HG LEU A 64 1.689 -4.907 3.011 1.00 1.06 H new ATOM 0 HD11 LEU A 64 2.924 -4.893 5.142 1.00 2.73 H new ATOM 0 HD12 LEU A 64 1.616 -6.100 5.141 1.00 2.73 H new ATOM 0 HD13 LEU A 64 3.305 -6.618 4.928 1.00 2.73 H new ATOM 0 HD21 LEU A 64 4.157 -4.379 3.090 1.00 2.06 H new ATOM 0 HD22 LEU A 64 4.515 -6.098 2.795 1.00 2.06 H new ATOM 0 HD23 LEU A 64 3.706 -5.128 1.540 1.00 2.06 H new ATOM 979 N LYS A 65 -0.077 -9.465 1.716 1.00 0.58 N ATOM 980 CA LYS A 65 -0.656 -10.360 0.720 1.00 0.64 C ATOM 981 C LYS A 65 -2.195 -10.352 0.725 1.00 0.80 C ATOM 982 O LYS A 65 -2.803 -11.078 -0.060 1.00 1.17 O ATOM 983 CB LYS A 65 -0.094 -11.781 0.890 1.00 0.97 C ATOM 984 CG LYS A 65 0.154 -12.428 -0.482 1.00 1.41 C ATOM 985 CD LYS A 65 0.739 -13.843 -0.400 1.00 1.83 C ATOM 986 CE LYS A 65 -0.323 -14.900 -0.076 1.00 2.37 C ATOM 987 NZ LYS A 65 0.284 -16.245 -0.027 1.00 2.90 N ATOM 0 H LYS A 65 0.326 -9.951 2.517 1.00 0.58 H new ATOM 0 HA LYS A 65 -0.364 -9.984 -0.260 1.00 0.64 H new ATOM 0 HB2 LYS A 65 0.837 -11.745 1.456 1.00 0.97 H new ATOM 0 HB3 LYS A 65 -0.793 -12.389 1.465 1.00 0.97 H new ATOM 0 HG2 LYS A 65 -0.786 -12.465 -1.032 1.00 1.41 H new ATOM 0 HG3 LYS A 65 0.833 -11.796 -1.054 1.00 1.41 H new ATOM 0 HD2 LYS A 65 1.216 -14.091 -1.348 1.00 1.83 H new ATOM 0 HD3 LYS A 65 1.516 -13.868 0.364 1.00 1.83 H new ATOM 0 HE2 LYS A 65 -0.792 -14.671 0.881 1.00 2.37 H new ATOM 0 HE3 LYS A 65 -1.110 -14.877 -0.830 1.00 2.37 H new ATOM 0 HZ1 LYS A 65 -0.449 -16.949 0.194 1.00 2.90 H new ATOM 0 HZ2 LYS A 65 0.711 -16.467 -0.949 1.00 2.90 H new ATOM 0 HZ3 LYS A 65 1.018 -16.268 0.709 1.00 2.90 H new ATOM 1001 N PHE A 66 -2.833 -9.553 1.589 1.00 0.78 N ATOM 1002 CA PHE A 66 -4.259 -9.258 1.536 1.00 1.04 C ATOM 1003 C PHE A 66 -4.476 -7.855 2.130 1.00 1.40 C ATOM 1004 O PHE A 66 -5.024 -7.680 3.218 1.00 2.21 O ATOM 1005 CB PHE A 66 -5.051 -10.347 2.279 1.00 1.32 C ATOM 1006 CG PHE A 66 -6.562 -10.231 2.165 1.00 1.76 C ATOM 1007 CD1 PHE A 66 -7.225 -10.757 1.041 1.00 3.15 C ATOM 1008 CD2 PHE A 66 -7.312 -9.636 3.198 1.00 3.12 C ATOM 1009 CE1 PHE A 66 -8.627 -10.673 0.944 1.00 4.61 C ATOM 1010 CE2 PHE A 66 -8.711 -9.535 3.093 1.00 4.72 C ATOM 1011 CZ PHE A 66 -9.368 -10.047 1.961 1.00 5.20 C ATOM 0 H PHE A 66 -2.356 -9.086 2.360 1.00 0.78 H new ATOM 0 HA PHE A 66 -4.625 -9.259 0.509 1.00 1.04 H new ATOM 0 HB2 PHE A 66 -4.746 -11.321 1.897 1.00 1.32 H new ATOM 0 HB3 PHE A 66 -4.778 -10.318 3.334 1.00 1.32 H new ATOM 0 HD1 PHE A 66 -6.657 -11.226 0.251 1.00 3.15 H new ATOM 0 HD2 PHE A 66 -6.810 -9.255 4.075 1.00 3.12 H new ATOM 0 HE1 PHE A 66 -9.134 -11.090 0.087 1.00 4.61 H new ATOM 0 HE2 PHE A 66 -9.280 -9.065 3.881 1.00 4.72 H new ATOM 0 HZ PHE A 66 -10.441 -9.960 1.873 1.00 5.20 H new ATOM 1021 N PHE A 67 -3.997 -6.858 1.397 1.00 1.14 N ATOM 1022 CA PHE A 67 -3.999 -5.432 1.693 1.00 1.26 C ATOM 1023 C PHE A 67 -4.844 -4.716 0.630 1.00 1.07 C ATOM 1024 O PHE A 67 -5.861 -4.094 0.947 1.00 1.02 O ATOM 1025 CB PHE A 67 -2.523 -4.980 1.745 1.00 1.43 C ATOM 1026 CG PHE A 67 -2.133 -3.541 1.435 1.00 1.28 C ATOM 1027 CD1 PHE A 67 -3.029 -2.468 1.597 1.00 2.16 C ATOM 1028 CD2 PHE A 67 -0.840 -3.288 0.932 1.00 1.94 C ATOM 1029 CE1 PHE A 67 -2.681 -1.181 1.149 1.00 2.01 C ATOM 1030 CE2 PHE A 67 -0.484 -1.997 0.505 1.00 2.16 C ATOM 1031 CZ PHE A 67 -1.420 -0.952 0.575 1.00 1.43 C ATOM 0 H PHE A 67 -3.556 -7.046 0.496 1.00 1.14 H new ATOM 0 HA PHE A 67 -4.452 -5.187 2.654 1.00 1.26 H new ATOM 0 HB2 PHE A 67 -2.156 -5.202 2.747 1.00 1.43 H new ATOM 0 HB3 PHE A 67 -1.969 -5.617 1.055 1.00 1.43 H new ATOM 0 HD1 PHE A 67 -3.987 -2.633 2.067 1.00 2.16 H new ATOM 0 HD2 PHE A 67 -0.119 -4.090 0.875 1.00 1.94 H new ATOM 0 HE1 PHE A 67 -3.385 -0.368 1.247 1.00 2.01 H new ATOM 0 HE2 PHE A 67 0.509 -1.809 0.123 1.00 2.16 H new ATOM 0 HZ PHE A 67 -1.171 0.025 0.188 1.00 1.43 H new ATOM 1041 N LEU A 68 -4.438 -4.805 -0.636 1.00 1.04 N ATOM 1042 CA LEU A 68 -5.107 -4.153 -1.748 1.00 0.91 C ATOM 1043 C LEU A 68 -6.509 -4.732 -1.978 1.00 0.81 C ATOM 1044 O LEU A 68 -7.354 -4.026 -2.531 1.00 0.71 O ATOM 1045 CB LEU A 68 -4.256 -4.252 -3.023 1.00 1.19 C ATOM 1046 CG LEU A 68 -3.276 -3.111 -3.296 1.00 1.57 C ATOM 1047 CD1 LEU A 68 -4.017 -1.784 -3.451 1.00 2.05 C ATOM 1048 CD2 LEU A 68 -2.199 -3.024 -2.214 1.00 3.50 C ATOM 0 H LEU A 68 -3.619 -5.344 -0.917 1.00 1.04 H new ATOM 0 HA LEU A 68 -5.226 -3.100 -1.495 1.00 0.91 H new ATOM 0 HB2 LEU A 68 -3.689 -5.182 -2.980 1.00 1.19 H new ATOM 0 HB3 LEU A 68 -4.931 -4.329 -3.875 1.00 1.19 H new ATOM 0 HG LEU A 68 -2.770 -3.326 -4.237 1.00 1.57 H new ATOM 0 HD11 LEU A 68 -3.299 -0.987 -3.645 1.00 2.05 H new ATOM 0 HD12 LEU A 68 -4.716 -1.853 -4.284 1.00 2.05 H new ATOM 0 HD13 LEU A 68 -4.565 -1.564 -2.535 1.00 2.05 H new ATOM 0 HD21 LEU A 68 -1.520 -2.202 -2.441 1.00 3.50 H new ATOM 0 HD22 LEU A 68 -2.669 -2.850 -1.246 1.00 3.50 H new ATOM 0 HD23 LEU A 68 -1.639 -3.958 -2.182 1.00 3.50 H new ATOM 1060 N GLN A 69 -6.805 -5.956 -1.515 1.00 0.91 N ATOM 1061 CA GLN A 69 -8.144 -6.525 -1.671 1.00 0.87 C ATOM 1062 C GLN A 69 -9.207 -5.693 -0.926 1.00 0.83 C ATOM 1063 O GLN A 69 -10.401 -5.930 -1.087 1.00 1.14 O ATOM 1064 CB GLN A 69 -8.238 -8.001 -1.254 1.00 1.12 C ATOM 1065 CG GLN A 69 -7.443 -9.027 -2.081 1.00 1.11 C ATOM 1066 CD GLN A 69 -7.698 -9.080 -3.591 1.00 1.25 C ATOM 1067 OE1 GLN A 69 -8.752 -9.522 -4.037 1.00 2.24 O ATOM 1068 NE2 GLN A 69 -6.687 -8.740 -4.387 1.00 1.21 N ATOM 0 H GLN A 69 -6.140 -6.562 -1.035 1.00 0.91 H new ATOM 0 HA GLN A 69 -8.348 -6.485 -2.741 1.00 0.87 H new ATOM 0 HB2 GLN A 69 -7.910 -8.079 -0.217 1.00 1.12 H new ATOM 0 HB3 GLN A 69 -9.288 -8.291 -1.279 1.00 1.12 H new ATOM 0 HG2 GLN A 69 -6.382 -8.831 -1.927 1.00 1.11 H new ATOM 0 HG3 GLN A 69 -7.647 -10.017 -1.672 1.00 1.11 H new ATOM 0 HE21 GLN A 69 -5.823 -8.375 -3.986 1.00 1.21 H new ATOM 0 HE22 GLN A 69 -6.776 -8.844 -5.398 1.00 1.21 H new ATOM 1077 N LYS A 70 -8.812 -4.726 -0.084 1.00 0.69 N ATOM 1078 CA LYS A 70 -9.749 -3.715 0.392 1.00 0.75 C ATOM 1079 C LYS A 70 -10.174 -2.799 -0.757 1.00 0.68 C ATOM 1080 O LYS A 70 -11.346 -2.454 -0.874 1.00 1.12 O ATOM 1081 CB LYS A 70 -9.125 -2.874 1.518 1.00 1.11 C ATOM 1082 CG LYS A 70 -9.454 -3.426 2.908 1.00 1.53 C ATOM 1083 CD LYS A 70 -8.880 -4.829 3.131 1.00 1.18 C ATOM 1084 CE LYS A 70 -9.272 -5.340 4.520 1.00 1.40 C ATOM 1085 NZ LYS A 70 -10.711 -5.656 4.629 1.00 2.85 N ATOM 0 H LYS A 70 -7.862 -4.629 0.274 1.00 0.69 H new ATOM 0 HA LYS A 70 -10.626 -4.230 0.785 1.00 0.75 H new ATOM 0 HB2 LYS A 70 -8.043 -2.844 1.389 1.00 1.11 H new ATOM 0 HB3 LYS A 70 -9.484 -1.848 1.443 1.00 1.11 H new ATOM 0 HG2 LYS A 70 -9.059 -2.750 3.667 1.00 1.53 H new ATOM 0 HG3 LYS A 70 -10.536 -3.454 3.038 1.00 1.53 H new ATOM 0 HD2 LYS A 70 -9.253 -5.509 2.365 1.00 1.18 H new ATOM 0 HD3 LYS A 70 -7.794 -4.806 3.036 1.00 1.18 H new ATOM 0 HE2 LYS A 70 -8.690 -6.232 4.751 1.00 1.40 H new ATOM 0 HE3 LYS A 70 -9.012 -4.588 5.265 1.00 1.40 H new ATOM 0 HZ1 LYS A 70 -10.902 -6.092 5.554 1.00 2.85 H new ATOM 0 HZ2 LYS A 70 -11.266 -4.782 4.537 1.00 2.85 H new ATOM 0 HZ3 LYS A 70 -10.979 -6.318 3.873 1.00 2.85 H new ATOM 1099 N PHE A 71 -9.211 -2.330 -1.548 1.00 0.58 N ATOM 1100 CA PHE A 71 -9.421 -1.280 -2.533 1.00 0.72 C ATOM 1101 C PHE A 71 -10.183 -1.822 -3.739 1.00 0.78 C ATOM 1102 O PHE A 71 -11.064 -1.144 -4.264 1.00 1.17 O ATOM 1103 CB PHE A 71 -8.071 -0.704 -2.985 1.00 0.83 C ATOM 1104 CG PHE A 71 -7.217 0.019 -1.950 1.00 1.25 C ATOM 1105 CD1 PHE A 71 -7.603 0.134 -0.599 1.00 2.42 C ATOM 1106 CD2 PHE A 71 -6.028 0.635 -2.378 1.00 2.42 C ATOM 1107 CE1 PHE A 71 -6.809 0.859 0.305 1.00 3.07 C ATOM 1108 CE2 PHE A 71 -5.228 1.355 -1.474 1.00 2.94 C ATOM 1109 CZ PHE A 71 -5.626 1.479 -0.133 1.00 2.82 C ATOM 0 H PHE A 71 -8.252 -2.675 -1.520 1.00 0.58 H new ATOM 0 HA PHE A 71 -10.012 -0.488 -2.073 1.00 0.72 H new ATOM 0 HB2 PHE A 71 -7.479 -1.523 -3.393 1.00 0.83 H new ATOM 0 HB3 PHE A 71 -8.262 -0.010 -3.804 1.00 0.83 H new ATOM 0 HD1 PHE A 71 -8.513 -0.337 -0.258 1.00 2.42 H new ATOM 0 HD2 PHE A 71 -5.726 0.554 -3.412 1.00 2.42 H new ATOM 0 HE1 PHE A 71 -7.108 0.940 1.339 1.00 3.07 H new ATOM 0 HE2 PHE A 71 -4.309 1.812 -1.810 1.00 2.94 H new ATOM 0 HZ PHE A 71 -5.025 2.049 0.560 1.00 2.82 H new ATOM 1119 N GLU A 72 -9.812 -3.020 -4.193 1.00 0.71 N ATOM 1120 CA GLU A 72 -10.373 -3.667 -5.370 1.00 0.92 C ATOM 1121 C GLU A 72 -10.478 -5.168 -5.098 1.00 1.10 C ATOM 1122 O GLU A 72 -10.118 -5.610 -4.013 1.00 2.16 O ATOM 1123 CB GLU A 72 -9.478 -3.355 -6.578 1.00 0.94 C ATOM 1124 CG GLU A 72 -8.024 -3.769 -6.320 1.00 2.45 C ATOM 1125 CD GLU A 72 -7.193 -3.708 -7.592 1.00 3.31 C ATOM 1126 OE1 GLU A 72 -7.623 -4.368 -8.561 1.00 3.47 O ATOM 1127 OE2 GLU A 72 -6.141 -3.034 -7.560 1.00 4.75 O ATOM 0 H GLU A 72 -9.092 -3.579 -3.736 1.00 0.71 H new ATOM 0 HA GLU A 72 -11.373 -3.296 -5.592 1.00 0.92 H new ATOM 0 HB2 GLU A 72 -9.856 -3.877 -7.457 1.00 0.94 H new ATOM 0 HB3 GLU A 72 -9.520 -2.288 -6.798 1.00 0.94 H new ATOM 0 HG2 GLU A 72 -7.586 -3.114 -5.567 1.00 2.45 H new ATOM 0 HG3 GLU A 72 -7.999 -4.781 -5.916 1.00 2.45 H new ATOM 1134 N SER A 73 -10.939 -5.954 -6.077 1.00 1.16 N ATOM 1135 CA SER A 73 -11.122 -7.396 -5.923 1.00 1.14 C ATOM 1136 C SER A 73 -10.222 -8.191 -6.870 1.00 1.21 C ATOM 1137 O SER A 73 -10.549 -9.328 -7.206 1.00 2.21 O ATOM 1138 CB SER A 73 -12.593 -7.748 -6.170 1.00 1.39 C ATOM 1139 OG SER A 73 -13.439 -6.886 -5.428 1.00 2.14 O ATOM 0 H SER A 73 -11.196 -5.604 -7.000 1.00 1.16 H new ATOM 0 HA SER A 73 -10.839 -7.668 -4.906 1.00 1.14 H new ATOM 0 HB2 SER A 73 -12.820 -7.664 -7.233 1.00 1.39 H new ATOM 0 HB3 SER A 73 -12.778 -8.784 -5.885 1.00 1.39 H new ATOM 0 HG SER A 73 -14.375 -7.121 -5.597 1.00 2.14 H new ATOM 1145 N GLY A 74 -9.119 -7.604 -7.342 1.00 0.98 N ATOM 1146 CA GLY A 74 -8.241 -8.276 -8.287 1.00 1.03 C ATOM 1147 C GLY A 74 -6.926 -7.527 -8.443 1.00 0.83 C ATOM 1148 O GLY A 74 -6.448 -7.350 -9.562 1.00 1.02 O ATOM 0 H GLY A 74 -8.818 -6.665 -7.082 1.00 0.98 H new ATOM 0 HA2 GLY A 74 -8.045 -9.293 -7.946 1.00 1.03 H new ATOM 0 HA3 GLY A 74 -8.736 -8.354 -9.255 1.00 1.03 H new ATOM 1152 N ALA A 75 -6.341 -7.113 -7.314 1.00 0.65 N ATOM 1153 CA ALA A 75 -5.089 -6.377 -7.321 1.00 0.64 C ATOM 1154 C ALA A 75 -3.905 -7.309 -7.578 1.00 0.76 C ATOM 1155 O ALA A 75 -4.033 -8.336 -8.242 1.00 1.37 O ATOM 1156 CB ALA A 75 -4.925 -5.610 -6.010 1.00 0.74 C ATOM 0 H ALA A 75 -6.723 -7.280 -6.383 1.00 0.65 H new ATOM 0 HA ALA A 75 -5.112 -5.655 -8.137 1.00 0.64 H new ATOM 0 HB1 ALA A 75 -3.983 -5.061 -6.025 1.00 0.74 H new ATOM 0 HB2 ALA A 75 -5.752 -4.909 -5.893 1.00 0.74 H new ATOM 0 HB3 ALA A 75 -4.923 -6.312 -5.176 1.00 0.74 H new ATOM 1162 N ARG A 76 -2.740 -6.952 -7.032 1.00 0.52 N ATOM 1163 CA ARG A 76 -1.489 -7.652 -7.259 1.00 0.53 C ATOM 1164 C ARG A 76 -0.928 -8.290 -5.988 1.00 0.46 C ATOM 1165 O ARG A 76 0.068 -9.000 -6.068 1.00 0.74 O ATOM 1166 CB ARG A 76 -0.494 -6.632 -7.797 1.00 0.68 C ATOM 1167 CG ARG A 76 0.636 -7.313 -8.561 1.00 0.81 C ATOM 1168 CD ARG A 76 0.267 -7.640 -10.012 1.00 0.90 C ATOM 1169 NE ARG A 76 1.470 -7.442 -10.816 1.00 1.44 N ATOM 1170 CZ ARG A 76 1.867 -6.254 -11.277 1.00 2.09 C ATOM 1171 NH1 ARG A 76 1.011 -5.238 -11.316 1.00 3.13 N ATOM 1172 NH2 ARG A 76 3.139 -6.101 -11.628 1.00 2.73 N ATOM 0 H ARG A 76 -2.646 -6.151 -6.408 1.00 0.52 H new ATOM 0 HA ARG A 76 -1.664 -8.466 -7.962 1.00 0.53 H new ATOM 0 HB2 ARG A 76 -1.008 -5.930 -8.453 1.00 0.68 H new ATOM 0 HB3 ARG A 76 -0.081 -6.053 -6.971 1.00 0.68 H new ATOM 0 HG2 ARG A 76 1.514 -6.667 -8.552 1.00 0.81 H new ATOM 0 HG3 ARG A 76 0.912 -8.233 -8.046 1.00 0.81 H new ATOM 0 HD2 ARG A 76 -0.088 -8.667 -10.097 1.00 0.90 H new ATOM 0 HD3 ARG A 76 -0.539 -6.994 -10.359 1.00 0.90 H new ATOM 0 HE ARG A 76 2.040 -8.259 -11.038 1.00 1.44 H new ATOM 0 HH11 ARG A 76 0.052 -5.367 -10.994 1.00 3.13 H new ATOM 0 HH12 ARG A 76 1.313 -4.330 -11.668 1.00 3.13 H new ATOM 0 HH21 ARG A 76 3.789 -6.882 -11.543 1.00 2.73 H new ATOM 0 HH22 ARG A 76 3.466 -5.202 -11.983 1.00 2.73 H new ATOM 1186 N GLU A 77 -1.526 -8.042 -4.818 1.00 0.55 N ATOM 1187 CA GLU A 77 -1.003 -8.528 -3.544 1.00 0.55 C ATOM 1188 C GLU A 77 -0.659 -10.016 -3.559 1.00 0.40 C ATOM 1189 O GLU A 77 0.292 -10.454 -2.922 1.00 0.40 O ATOM 1190 CB GLU A 77 -1.948 -8.173 -2.417 1.00 0.81 C ATOM 1191 CG GLU A 77 -3.338 -8.748 -2.654 1.00 1.79 C ATOM 1192 CD GLU A 77 -4.315 -7.682 -2.281 1.00 2.91 C ATOM 1193 OE1 GLU A 77 -4.415 -7.367 -1.085 1.00 4.06 O ATOM 1194 OE2 GLU A 77 -4.951 -7.158 -3.207 1.00 3.78 O ATOM 0 H GLU A 77 -2.385 -7.499 -4.731 1.00 0.55 H new ATOM 0 HA GLU A 77 -0.055 -8.019 -3.372 1.00 0.55 H new ATOM 0 HB2 GLU A 77 -1.552 -8.552 -1.475 1.00 0.81 H new ATOM 0 HB3 GLU A 77 -2.013 -7.089 -2.322 1.00 0.81 H new ATOM 0 HG2 GLU A 77 -3.463 -9.039 -3.697 1.00 1.79 H new ATOM 0 HG3 GLU A 77 -3.494 -9.643 -2.052 1.00 1.79 H new ATOM 1201 N LEU A 78 -1.446 -10.779 -4.317 1.00 0.44 N ATOM 1202 CA LEU A 78 -1.192 -12.165 -4.659 1.00 0.45 C ATOM 1203 C LEU A 78 0.296 -12.402 -4.940 1.00 0.46 C ATOM 1204 O LEU A 78 0.878 -13.314 -4.361 1.00 0.62 O ATOM 1205 CB LEU A 78 -2.015 -12.610 -5.883 1.00 0.56 C ATOM 1206 CG LEU A 78 -3.490 -12.174 -5.994 1.00 0.82 C ATOM 1207 CD1 LEU A 78 -4.254 -12.181 -4.664 1.00 0.92 C ATOM 1208 CD2 LEU A 78 -3.656 -10.837 -6.729 1.00 0.96 C ATOM 0 H LEU A 78 -2.313 -10.427 -4.723 1.00 0.44 H new ATOM 0 HA LEU A 78 -1.496 -12.760 -3.798 1.00 0.45 H new ATOM 0 HB2 LEU A 78 -1.499 -12.252 -6.774 1.00 0.56 H new ATOM 0 HB3 LEU A 78 -1.991 -13.699 -5.917 1.00 0.56 H new ATOM 0 HG LEU A 78 -3.955 -12.948 -6.604 1.00 0.82 H new ATOM 0 HD11 LEU A 78 -5.282 -11.862 -4.833 1.00 0.92 H new ATOM 0 HD12 LEU A 78 -4.251 -13.188 -4.248 1.00 0.92 H new ATOM 0 HD13 LEU A 78 -3.773 -11.498 -3.964 1.00 0.92 H new ATOM 0 HD21 LEU A 78 -4.714 -10.578 -6.779 1.00 0.96 H new ATOM 0 HD22 LEU A 78 -3.116 -10.057 -6.192 1.00 0.96 H new ATOM 0 HD23 LEU A 78 -3.256 -10.925 -7.739 1.00 0.96 H new ATOM 1220 N THR A 79 0.898 -11.612 -5.839 1.00 0.43 N ATOM 1221 CA THR A 79 2.282 -11.807 -6.230 1.00 0.51 C ATOM 1222 C THR A 79 3.222 -11.261 -5.171 1.00 0.38 C ATOM 1223 O THR A 79 3.265 -10.064 -4.870 1.00 0.35 O ATOM 1224 CB THR A 79 2.628 -11.161 -7.569 1.00 0.67 C ATOM 1225 OG1 THR A 79 1.639 -11.398 -8.530 1.00 0.93 O ATOM 1226 CG2 THR A 79 3.918 -11.790 -8.119 1.00 1.13 C ATOM 0 H THR A 79 0.437 -10.831 -6.306 1.00 0.43 H new ATOM 0 HA THR A 79 2.408 -12.884 -6.336 1.00 0.51 H new ATOM 0 HB THR A 79 2.729 -10.091 -7.390 1.00 0.67 H new ATOM 0 HG1 THR A 79 1.893 -10.969 -9.374 1.00 0.93 H new ATOM 0 HG21 THR A 79 4.168 -11.331 -9.075 1.00 1.13 H new ATOM 0 HG22 THR A 79 4.733 -11.625 -7.414 1.00 1.13 H new ATOM 0 HG23 THR A 79 3.770 -12.861 -8.259 1.00 1.13 H new ATOM 1234 N GLU A 80 4.042 -12.165 -4.661 1.00 0.39 N ATOM 1235 CA GLU A 80 4.934 -11.864 -3.570 1.00 0.39 C ATOM 1236 C GLU A 80 6.013 -10.863 -3.995 1.00 0.37 C ATOM 1237 O GLU A 80 6.409 -10.045 -3.177 1.00 0.41 O ATOM 1238 CB GLU A 80 5.503 -13.143 -2.954 1.00 0.51 C ATOM 1239 CG GLU A 80 4.424 -14.056 -2.336 1.00 2.26 C ATOM 1240 CD GLU A 80 3.630 -14.922 -3.312 1.00 2.89 C ATOM 1241 OE1 GLU A 80 3.897 -14.818 -4.532 1.00 3.46 O ATOM 1242 OE2 GLU A 80 2.778 -15.686 -2.794 1.00 3.92 O ATOM 0 H GLU A 80 4.103 -13.126 -4.997 1.00 0.39 H new ATOM 0 HA GLU A 80 4.363 -11.375 -2.781 1.00 0.39 H new ATOM 0 HB2 GLU A 80 6.043 -13.698 -3.721 1.00 0.51 H new ATOM 0 HB3 GLU A 80 6.227 -12.876 -2.184 1.00 0.51 H new ATOM 0 HG2 GLU A 80 4.905 -14.712 -1.610 1.00 2.26 H new ATOM 0 HG3 GLU A 80 3.722 -13.431 -1.784 1.00 2.26 H new ATOM 1249 N SER A 81 6.481 -10.886 -5.251 1.00 0.39 N ATOM 1250 CA SER A 81 7.494 -9.935 -5.721 1.00 0.45 C ATOM 1251 C SER A 81 7.011 -8.490 -5.545 1.00 0.43 C ATOM 1252 O SER A 81 7.628 -7.699 -4.829 1.00 0.45 O ATOM 1253 CB SER A 81 7.910 -10.217 -7.174 1.00 0.53 C ATOM 1254 OG SER A 81 9.144 -9.575 -7.428 1.00 1.84 O ATOM 0 H SER A 81 6.173 -11.553 -5.958 1.00 0.39 H new ATOM 0 HA SER A 81 8.383 -10.068 -5.104 1.00 0.45 H new ATOM 0 HB2 SER A 81 8.002 -11.291 -7.338 1.00 0.53 H new ATOM 0 HB3 SER A 81 7.147 -9.854 -7.862 1.00 0.53 H new ATOM 0 HG SER A 81 9.304 -9.545 -8.394 1.00 1.84 H new ATOM 1260 N GLU A 82 5.886 -8.140 -6.169 1.00 0.45 N ATOM 1261 CA GLU A 82 5.277 -6.830 -6.051 1.00 0.45 C ATOM 1262 C GLU A 82 4.992 -6.481 -4.587 1.00 0.43 C ATOM 1263 O GLU A 82 5.309 -5.375 -4.141 1.00 0.49 O ATOM 1264 CB GLU A 82 4.000 -6.778 -6.898 1.00 0.49 C ATOM 1265 CG GLU A 82 4.300 -6.773 -8.408 1.00 0.86 C ATOM 1266 CD GLU A 82 4.336 -8.147 -9.055 1.00 1.95 C ATOM 1267 OE1 GLU A 82 4.815 -9.089 -8.395 1.00 3.45 O ATOM 1268 OE2 GLU A 82 3.882 -8.222 -10.223 1.00 2.30 O ATOM 0 H GLU A 82 5.370 -8.774 -6.779 1.00 0.45 H new ATOM 0 HA GLU A 82 5.975 -6.082 -6.426 1.00 0.45 H new ATOM 0 HB2 GLU A 82 3.372 -7.636 -6.657 1.00 0.49 H new ATOM 0 HB3 GLU A 82 3.432 -5.884 -6.640 1.00 0.49 H new ATOM 0 HG2 GLU A 82 3.545 -6.169 -8.912 1.00 0.86 H new ATOM 0 HG3 GLU A 82 5.261 -6.285 -8.572 1.00 0.86 H new ATOM 1275 N THR A 83 4.423 -7.419 -3.822 1.00 0.39 N ATOM 1276 CA THR A 83 4.184 -7.184 -2.404 1.00 0.42 C ATOM 1277 C THR A 83 5.496 -6.797 -1.729 1.00 0.44 C ATOM 1278 O THR A 83 5.564 -5.815 -0.994 1.00 0.48 O ATOM 1279 CB THR A 83 3.550 -8.423 -1.746 1.00 0.47 C ATOM 1280 OG1 THR A 83 2.154 -8.295 -1.828 1.00 0.55 O ATOM 1281 CG2 THR A 83 3.913 -8.614 -0.267 1.00 0.59 C ATOM 0 H THR A 83 4.125 -8.334 -4.160 1.00 0.39 H new ATOM 0 HA THR A 83 3.478 -6.362 -2.285 1.00 0.42 H new ATOM 0 HB THR A 83 3.938 -9.289 -2.282 1.00 0.47 H new ATOM 0 HG1 THR A 83 1.773 -9.112 -2.212 1.00 0.55 H new ATOM 0 HG21 THR A 83 3.423 -9.510 0.115 1.00 0.59 H new ATOM 0 HG22 THR A 83 4.993 -8.721 -0.168 1.00 0.59 H new ATOM 0 HG23 THR A 83 3.581 -7.747 0.304 1.00 0.59 H new ATOM 1289 N LYS A 84 6.542 -7.577 -1.989 1.00 0.41 N ATOM 1290 CA LYS A 84 7.829 -7.427 -1.354 1.00 0.42 C ATOM 1291 C LYS A 84 8.496 -6.128 -1.793 1.00 0.40 C ATOM 1292 O LYS A 84 9.211 -5.516 -1.014 1.00 0.41 O ATOM 1293 CB LYS A 84 8.679 -8.671 -1.627 1.00 0.47 C ATOM 1294 CG LYS A 84 9.900 -8.732 -0.709 1.00 1.80 C ATOM 1295 CD LYS A 84 11.167 -8.197 -1.389 1.00 3.18 C ATOM 1296 CE LYS A 84 12.294 -8.087 -0.352 1.00 4.39 C ATOM 1297 NZ LYS A 84 13.629 -8.101 -0.984 1.00 5.73 N ATOM 0 H LYS A 84 6.508 -8.343 -2.662 1.00 0.41 H new ATOM 0 HA LYS A 84 7.709 -7.350 -0.273 1.00 0.42 H new ATOM 0 HB2 LYS A 84 8.072 -9.565 -1.486 1.00 0.47 H new ATOM 0 HB3 LYS A 84 9.005 -8.668 -2.667 1.00 0.47 H new ATOM 0 HG2 LYS A 84 9.703 -8.153 0.193 1.00 1.80 H new ATOM 0 HG3 LYS A 84 10.066 -9.763 -0.397 1.00 1.80 H new ATOM 0 HD2 LYS A 84 11.467 -8.862 -2.199 1.00 3.18 H new ATOM 0 HD3 LYS A 84 10.970 -7.221 -1.834 1.00 3.18 H new ATOM 0 HE2 LYS A 84 12.173 -7.167 0.219 1.00 4.39 H new ATOM 0 HE3 LYS A 84 12.219 -8.913 0.355 1.00 4.39 H new ATOM 0 HZ1 LYS A 84 14.362 -8.025 -0.250 1.00 5.73 H new ATOM 0 HZ2 LYS A 84 13.756 -8.990 -1.508 1.00 5.73 H new ATOM 0 HZ3 LYS A 84 13.711 -7.298 -1.640 1.00 5.73 H new ATOM 1311 N SER A 85 8.269 -5.690 -3.029 1.00 0.41 N ATOM 1312 CA SER A 85 8.685 -4.387 -3.519 1.00 0.41 C ATOM 1313 C SER A 85 8.077 -3.279 -2.655 1.00 0.39 C ATOM 1314 O SER A 85 8.781 -2.354 -2.256 1.00 0.46 O ATOM 1315 CB SER A 85 8.310 -4.242 -4.999 1.00 0.49 C ATOM 1316 OG SER A 85 8.851 -5.326 -5.731 1.00 1.47 O ATOM 0 H SER A 85 7.780 -6.247 -3.730 1.00 0.41 H new ATOM 0 HA SER A 85 9.769 -4.295 -3.445 1.00 0.41 H new ATOM 0 HB2 SER A 85 7.226 -4.219 -5.110 1.00 0.49 H new ATOM 0 HB3 SER A 85 8.690 -3.299 -5.391 1.00 0.49 H new ATOM 0 HG SER A 85 8.331 -6.136 -5.547 1.00 1.47 H new ATOM 1322 N LEU A 86 6.784 -3.380 -2.327 1.00 0.35 N ATOM 1323 CA LEU A 86 6.174 -2.455 -1.375 1.00 0.36 C ATOM 1324 C LEU A 86 6.816 -2.599 0.002 1.00 0.32 C ATOM 1325 O LEU A 86 7.327 -1.617 0.552 1.00 0.39 O ATOM 1326 CB LEU A 86 4.643 -2.602 -1.347 1.00 0.43 C ATOM 1327 CG LEU A 86 3.939 -1.589 -2.268 1.00 1.37 C ATOM 1328 CD1 LEU A 86 4.076 -0.158 -1.713 1.00 2.37 C ATOM 1329 CD2 LEU A 86 4.439 -1.714 -3.717 1.00 3.46 C ATOM 0 H LEU A 86 6.150 -4.085 -2.703 1.00 0.35 H new ATOM 0 HA LEU A 86 6.368 -1.435 -1.708 1.00 0.36 H new ATOM 0 HB2 LEU A 86 4.372 -3.613 -1.650 1.00 0.43 H new ATOM 0 HB3 LEU A 86 4.287 -2.469 -0.326 1.00 0.43 H new ATOM 0 HG LEU A 86 2.874 -1.820 -2.288 1.00 1.37 H new ATOM 0 HD11 LEU A 86 3.571 0.541 -2.380 1.00 2.37 H new ATOM 0 HD12 LEU A 86 3.623 -0.107 -0.723 1.00 2.37 H new ATOM 0 HD13 LEU A 86 5.131 0.106 -1.643 1.00 2.37 H new ATOM 0 HD21 LEU A 86 3.924 -0.986 -4.344 1.00 3.46 H new ATOM 0 HD22 LEU A 86 5.512 -1.526 -3.749 1.00 3.46 H new ATOM 0 HD23 LEU A 86 4.236 -2.719 -4.087 1.00 3.46 H new ATOM 1341 N MET A 87 6.820 -3.824 0.534 1.00 0.30 N ATOM 1342 CA MET A 87 7.439 -4.139 1.812 1.00 0.34 C ATOM 1343 C MET A 87 8.832 -3.511 1.931 1.00 0.42 C ATOM 1344 O MET A 87 9.173 -2.940 2.957 1.00 0.50 O ATOM 1345 CB MET A 87 7.526 -5.661 1.990 1.00 0.44 C ATOM 1346 CG MET A 87 7.880 -6.082 3.426 1.00 0.71 C ATOM 1347 SD MET A 87 9.123 -7.394 3.551 1.00 1.93 S ATOM 1348 CE MET A 87 10.603 -6.487 3.049 1.00 3.50 C ATOM 0 H MET A 87 6.388 -4.629 0.080 1.00 0.30 H new ATOM 0 HA MET A 87 6.817 -3.718 2.602 1.00 0.34 H new ATOM 0 HB2 MET A 87 6.572 -6.108 1.712 1.00 0.44 H new ATOM 0 HB3 MET A 87 8.276 -6.058 1.306 1.00 0.44 H new ATOM 0 HG2 MET A 87 8.240 -5.207 3.967 1.00 0.71 H new ATOM 0 HG3 MET A 87 6.970 -6.414 3.927 1.00 0.71 H new ATOM 0 HE1 MET A 87 11.475 -7.135 3.140 1.00 3.50 H new ATOM 0 HE2 MET A 87 10.498 -6.164 2.013 1.00 3.50 H new ATOM 0 HE3 MET A 87 10.730 -5.615 3.690 1.00 3.50 H new ATOM 1358 N ALA A 88 9.637 -3.627 0.876 1.00 0.50 N ATOM 1359 CA ALA A 88 11.032 -3.227 0.828 1.00 0.61 C ATOM 1360 C ALA A 88 11.222 -1.758 1.211 1.00 0.62 C ATOM 1361 O ALA A 88 12.139 -1.437 1.959 1.00 0.72 O ATOM 1362 CB ALA A 88 11.585 -3.519 -0.573 1.00 0.69 C ATOM 0 H ALA A 88 9.314 -4.022 -0.007 1.00 0.50 H new ATOM 0 HA ALA A 88 11.589 -3.805 1.565 1.00 0.61 H new ATOM 0 HB1 ALA A 88 12.633 -3.222 -0.620 1.00 0.69 H new ATOM 0 HB2 ALA A 88 11.500 -4.585 -0.783 1.00 0.69 H new ATOM 0 HB3 ALA A 88 11.015 -2.957 -1.313 1.00 0.69 H new ATOM 1368 N ALA A 89 10.380 -0.865 0.683 1.00 0.59 N ATOM 1369 CA ALA A 89 10.470 0.559 0.996 1.00 0.65 C ATOM 1370 C ALA A 89 9.721 0.879 2.285 1.00 0.56 C ATOM 1371 O ALA A 89 10.186 1.673 3.098 1.00 0.66 O ATOM 1372 CB ALA A 89 9.890 1.380 -0.149 1.00 0.80 C ATOM 0 H ALA A 89 9.629 -1.106 0.037 1.00 0.59 H new ATOM 0 HA ALA A 89 11.521 0.814 1.132 1.00 0.65 H new ATOM 0 HB1 ALA A 89 9.961 2.441 0.092 1.00 0.80 H new ATOM 0 HB2 ALA A 89 10.450 1.177 -1.062 1.00 0.80 H new ATOM 0 HB3 ALA A 89 8.844 1.110 -0.297 1.00 0.80 H new ATOM 1378 N ALA A 90 8.529 0.301 2.441 1.00 0.43 N ATOM 1379 CA ALA A 90 7.680 0.534 3.600 1.00 0.42 C ATOM 1380 C ALA A 90 8.399 0.157 4.891 1.00 0.38 C ATOM 1381 O ALA A 90 8.302 0.874 5.887 1.00 0.45 O ATOM 1382 CB ALA A 90 6.404 -0.283 3.415 1.00 0.37 C ATOM 0 H ALA A 90 8.127 -0.344 1.761 1.00 0.43 H new ATOM 0 HA ALA A 90 7.434 1.593 3.680 1.00 0.42 H new ATOM 0 HB1 ALA A 90 5.746 -0.129 4.270 1.00 0.37 H new ATOM 0 HB2 ALA A 90 5.897 0.036 2.504 1.00 0.37 H new ATOM 0 HB3 ALA A 90 6.657 -1.340 3.338 1.00 0.37 H new ATOM 1388 N ASP A 91 9.107 -0.971 4.881 1.00 0.32 N ATOM 1389 CA ASP A 91 9.858 -1.419 6.031 1.00 0.32 C ATOM 1390 C ASP A 91 11.112 -0.559 6.176 1.00 0.40 C ATOM 1391 O ASP A 91 12.181 -0.914 5.683 1.00 0.84 O ATOM 1392 CB ASP A 91 10.214 -2.903 5.916 1.00 0.33 C ATOM 1393 CG ASP A 91 10.867 -3.353 7.206 1.00 0.46 C ATOM 1394 OD1 ASP A 91 10.118 -3.574 8.181 1.00 0.80 O ATOM 1395 OD2 ASP A 91 12.105 -3.488 7.258 1.00 0.60 O ATOM 0 H ASP A 91 9.170 -1.592 4.074 1.00 0.32 H new ATOM 0 HA ASP A 91 9.244 -1.308 6.924 1.00 0.32 H new ATOM 0 HB2 ASP A 91 9.317 -3.492 5.722 1.00 0.33 H new ATOM 0 HB3 ASP A 91 10.889 -3.065 5.076 1.00 0.33 H new ATOM 1400 N ASN A 92 11.014 0.576 6.866 1.00 0.97 N ATOM 1401 CA ASN A 92 12.138 1.498 7.013 1.00 1.13 C ATOM 1402 C ASN A 92 13.061 1.024 8.144 1.00 1.05 C ATOM 1403 O ASN A 92 13.568 1.846 8.903 1.00 1.32 O ATOM 1404 CB ASN A 92 11.643 2.935 7.254 1.00 1.40 C ATOM 1405 CG ASN A 92 10.957 3.561 6.043 1.00 1.93 C ATOM 1406 OD1 ASN A 92 11.547 4.376 5.340 1.00 3.22 O ATOM 1407 ND2 ASN A 92 9.699 3.218 5.793 1.00 2.69 N ATOM 0 H ASN A 92 10.161 0.880 7.335 1.00 0.97 H new ATOM 0 HA ASN A 92 12.711 1.505 6.086 1.00 1.13 H new ATOM 0 HB2 ASN A 92 10.948 2.934 8.093 1.00 1.40 H new ATOM 0 HB3 ASN A 92 12.490 3.558 7.542 1.00 1.40 H new ATOM 0 HD21 ASN A 92 9.204 3.634 5.004 1.00 2.69 H new ATOM 0 HD22 ASN A 92 9.227 2.539 6.390 1.00 2.69 H new ATOM 1414 N ASP A 93 13.285 -0.292 8.245 1.00 0.87 N ATOM 1415 CA ASP A 93 14.100 -0.921 9.277 1.00 0.85 C ATOM 1416 C ASP A 93 15.132 -1.826 8.613 1.00 0.85 C ATOM 1417 O ASP A 93 16.332 -1.696 8.842 1.00 1.01 O ATOM 1418 CB ASP A 93 13.245 -1.797 10.210 1.00 0.78 C ATOM 1419 CG ASP A 93 12.403 -1.039 11.220 1.00 0.85 C ATOM 1420 OD1 ASP A 93 12.932 -0.111 11.862 1.00 1.37 O ATOM 1421 OD2 ASP A 93 11.234 -1.468 11.364 1.00 0.64 O ATOM 0 H ASP A 93 12.889 -0.964 7.588 1.00 0.87 H new ATOM 0 HA ASP A 93 14.574 -0.130 9.858 1.00 0.85 H new ATOM 0 HB2 ASP A 93 12.584 -2.412 9.599 1.00 0.78 H new ATOM 0 HB3 ASP A 93 13.905 -2.477 10.749 1.00 0.78 H new ATOM 1426 N GLY A 94 14.635 -2.791 7.835 1.00 0.74 N ATOM 1427 CA GLY A 94 15.369 -3.969 7.408 1.00 0.82 C ATOM 1428 C GLY A 94 14.964 -5.167 8.270 1.00 0.76 C ATOM 1429 O GLY A 94 15.831 -5.924 8.704 1.00 0.90 O ATOM 0 H GLY A 94 13.680 -2.766 7.478 1.00 0.74 H new ATOM 0 HA2 GLY A 94 15.163 -4.177 6.358 1.00 0.82 H new ATOM 0 HA3 GLY A 94 16.441 -3.793 7.494 1.00 0.82 H new ATOM 1433 N ASP A 95 13.656 -5.343 8.503 1.00 0.61 N ATOM 1434 CA ASP A 95 13.084 -6.487 9.211 1.00 0.62 C ATOM 1435 C ASP A 95 11.974 -7.125 8.368 1.00 0.62 C ATOM 1436 O ASP A 95 12.020 -8.324 8.100 1.00 0.74 O ATOM 1437 CB ASP A 95 12.648 -6.112 10.643 1.00 0.56 C ATOM 1438 CG ASP A 95 11.189 -5.699 10.767 1.00 0.67 C ATOM 1439 OD1 ASP A 95 10.347 -6.621 10.794 1.00 1.94 O ATOM 1440 OD2 ASP A 95 10.911 -4.479 10.795 1.00 1.61 O ATOM 0 H ASP A 95 12.951 -4.673 8.194 1.00 0.61 H new ATOM 0 HA ASP A 95 13.853 -7.248 9.344 1.00 0.62 H new ATOM 0 HB2 ASP A 95 12.829 -6.963 11.300 1.00 0.56 H new ATOM 0 HB3 ASP A 95 13.276 -5.295 10.999 1.00 0.56 H new ATOM 1445 N GLY A 96 11.011 -6.320 7.906 1.00 0.55 N ATOM 1446 CA GLY A 96 9.942 -6.741 7.012 1.00 0.59 C ATOM 1447 C GLY A 96 8.568 -6.431 7.597 1.00 0.58 C ATOM 1448 O GLY A 96 7.652 -6.070 6.860 1.00 0.68 O ATOM 0 H GLY A 96 10.958 -5.332 8.154 1.00 0.55 H new ATOM 0 HA2 GLY A 96 10.051 -6.238 6.051 1.00 0.59 H new ATOM 0 HA3 GLY A 96 10.025 -7.811 6.823 1.00 0.59 H new ATOM 1452 N LYS A 97 8.406 -6.568 8.917 1.00 0.55 N ATOM 1453 CA LYS A 97 7.167 -6.209 9.584 1.00 0.59 C ATOM 1454 C LYS A 97 7.047 -4.691 9.558 1.00 0.50 C ATOM 1455 O LYS A 97 7.877 -3.985 10.140 1.00 0.48 O ATOM 1456 CB LYS A 97 7.156 -6.727 11.026 1.00 0.63 C ATOM 1457 CG LYS A 97 7.184 -8.259 11.070 1.00 1.88 C ATOM 1458 CD LYS A 97 7.569 -8.719 12.482 1.00 1.85 C ATOM 1459 CE LYS A 97 7.458 -10.242 12.635 1.00 3.43 C ATOM 1460 NZ LYS A 97 6.054 -10.691 12.720 1.00 4.73 N ATOM 0 H LYS A 97 9.128 -6.928 9.541 1.00 0.55 H new ATOM 0 HA LYS A 97 6.320 -6.663 9.071 1.00 0.59 H new ATOM 0 HB2 LYS A 97 8.017 -6.330 11.563 1.00 0.63 H new ATOM 0 HB3 LYS A 97 6.265 -6.363 11.538 1.00 0.63 H new ATOM 0 HG2 LYS A 97 6.208 -8.660 10.798 1.00 1.88 H new ATOM 0 HG3 LYS A 97 7.900 -8.642 10.343 1.00 1.88 H new ATOM 0 HD2 LYS A 97 8.590 -8.405 12.701 1.00 1.85 H new ATOM 0 HD3 LYS A 97 6.922 -8.232 13.212 1.00 1.85 H new ATOM 0 HE2 LYS A 97 7.943 -10.727 11.788 1.00 3.43 H new ATOM 0 HE3 LYS A 97 7.993 -10.556 13.531 1.00 3.43 H new ATOM 0 HZ1 LYS A 97 6.024 -11.729 12.771 1.00 4.73 H new ATOM 0 HZ2 LYS A 97 5.612 -10.289 13.571 1.00 4.73 H new ATOM 0 HZ3 LYS A 97 5.536 -10.371 11.877 1.00 4.73 H new ATOM 1474 N ILE A 98 6.024 -4.190 8.874 1.00 0.56 N ATOM 1475 CA ILE A 98 5.697 -2.775 8.864 1.00 0.38 C ATOM 1476 C ILE A 98 4.744 -2.517 10.028 1.00 0.59 C ATOM 1477 O ILE A 98 4.206 -3.454 10.613 1.00 1.39 O ATOM 1478 CB ILE A 98 5.134 -2.437 7.475 1.00 0.38 C ATOM 1479 CG1 ILE A 98 6.287 -2.582 6.470 1.00 0.50 C ATOM 1480 CG2 ILE A 98 4.525 -1.037 7.330 1.00 0.53 C ATOM 1481 CD1 ILE A 98 5.869 -3.447 5.289 1.00 0.51 C ATOM 0 H ILE A 98 5.396 -4.761 8.308 1.00 0.56 H new ATOM 0 HA ILE A 98 6.555 -2.119 9.015 1.00 0.38 H new ATOM 0 HB ILE A 98 4.307 -3.124 7.297 1.00 0.38 H new ATOM 0 HG12 ILE A 98 6.592 -1.598 6.115 1.00 0.50 H new ATOM 0 HG13 ILE A 98 7.152 -3.026 6.963 1.00 0.50 H new ATOM 0 HG21 ILE A 98 4.158 -0.903 6.312 1.00 0.53 H new ATOM 0 HG22 ILE A 98 3.698 -0.926 8.031 1.00 0.53 H new ATOM 0 HG23 ILE A 98 5.285 -0.286 7.543 1.00 0.53 H new ATOM 0 HD11 ILE A 98 6.701 -3.536 4.590 1.00 0.51 H new ATOM 0 HD12 ILE A 98 5.587 -4.438 5.645 1.00 0.51 H new ATOM 0 HD13 ILE A 98 5.019 -2.988 4.784 1.00 0.51 H new ATOM 1493 N GLY A 99 4.539 -1.251 10.370 1.00 0.75 N ATOM 1494 CA GLY A 99 3.553 -0.809 11.331 1.00 0.87 C ATOM 1495 C GLY A 99 3.014 0.525 10.840 1.00 0.60 C ATOM 1496 O GLY A 99 3.462 1.031 9.807 1.00 0.52 O ATOM 0 H GLY A 99 5.076 -0.483 9.969 1.00 0.75 H new ATOM 0 HA2 GLY A 99 2.749 -1.539 11.421 1.00 0.87 H new ATOM 0 HA3 GLY A 99 4.000 -0.703 12.320 1.00 0.87 H new ATOM 1500 N ALA A 100 2.063 1.104 11.576 1.00 0.62 N ATOM 1501 CA ALA A 100 1.414 2.342 11.179 1.00 0.67 C ATOM 1502 C ALA A 100 2.463 3.412 10.935 1.00 0.61 C ATOM 1503 O ALA A 100 2.410 4.117 9.931 1.00 0.61 O ATOM 1504 CB ALA A 100 0.461 2.806 12.277 1.00 0.82 C ATOM 0 H ALA A 100 1.726 0.724 12.461 1.00 0.62 H new ATOM 0 HA ALA A 100 0.849 2.169 10.263 1.00 0.67 H new ATOM 0 HB1 ALA A 100 -0.021 3.735 11.972 1.00 0.82 H new ATOM 0 HB2 ALA A 100 -0.297 2.042 12.447 1.00 0.82 H new ATOM 0 HB3 ALA A 100 1.020 2.973 13.197 1.00 0.82 H new ATOM 1510 N GLU A 101 3.411 3.508 11.872 1.00 0.61 N ATOM 1511 CA GLU A 101 4.446 4.514 11.841 1.00 0.63 C ATOM 1512 C GLU A 101 5.248 4.382 10.548 1.00 0.52 C ATOM 1513 O GLU A 101 5.168 5.264 9.706 1.00 0.61 O ATOM 1514 CB GLU A 101 5.281 4.452 13.126 1.00 0.70 C ATOM 1515 CG GLU A 101 6.165 5.693 13.291 1.00 1.63 C ATOM 1516 CD GLU A 101 6.623 5.830 14.736 1.00 1.79 C ATOM 1517 OE1 GLU A 101 7.416 4.964 15.161 1.00 2.49 O ATOM 1518 OE2 GLU A 101 6.126 6.764 15.401 1.00 2.32 O ATOM 0 H GLU A 101 3.471 2.880 12.673 1.00 0.61 H new ATOM 0 HA GLU A 101 4.017 5.516 11.826 1.00 0.63 H new ATOM 0 HB2 GLU A 101 4.618 4.361 13.986 1.00 0.70 H new ATOM 0 HB3 GLU A 101 5.907 3.560 13.110 1.00 0.70 H new ATOM 0 HG2 GLU A 101 7.031 5.620 12.634 1.00 1.63 H new ATOM 0 HG3 GLU A 101 5.612 6.584 12.992 1.00 1.63 H new ATOM 1525 N GLU A 102 5.936 3.253 10.344 1.00 0.40 N ATOM 1526 CA GLU A 102 6.654 2.960 9.106 1.00 0.36 C ATOM 1527 C GLU A 102 5.809 3.265 7.858 1.00 0.45 C ATOM 1528 O GLU A 102 6.289 3.904 6.921 1.00 0.49 O ATOM 1529 CB GLU A 102 7.094 1.492 9.106 1.00 0.29 C ATOM 1530 CG GLU A 102 8.265 1.215 10.051 1.00 0.45 C ATOM 1531 CD GLU A 102 8.701 -0.237 9.965 1.00 0.45 C ATOM 1532 OE1 GLU A 102 9.564 -0.597 9.139 1.00 1.27 O ATOM 1533 OE2 GLU A 102 8.204 -1.101 10.718 1.00 1.16 O ATOM 0 H GLU A 102 6.009 2.513 11.042 1.00 0.40 H new ATOM 0 HA GLU A 102 7.529 3.609 9.064 1.00 0.36 H new ATOM 0 HB2 GLU A 102 6.249 0.866 9.392 1.00 0.29 H new ATOM 0 HB3 GLU A 102 7.376 1.204 8.093 1.00 0.29 H new ATOM 0 HG2 GLU A 102 9.102 1.866 9.799 1.00 0.45 H new ATOM 0 HG3 GLU A 102 7.975 1.451 11.075 1.00 0.45 H new ATOM 1540 N PHE A 103 4.551 2.809 7.835 1.00 0.48 N ATOM 1541 CA PHE A 103 3.702 2.993 6.661 1.00 0.56 C ATOM 1542 C PHE A 103 3.502 4.490 6.392 1.00 0.56 C ATOM 1543 O PHE A 103 3.756 4.984 5.293 1.00 0.57 O ATOM 1544 CB PHE A 103 2.369 2.253 6.856 1.00 0.65 C ATOM 1545 CG PHE A 103 1.681 1.830 5.569 1.00 1.08 C ATOM 1546 CD1 PHE A 103 1.110 2.791 4.712 1.00 2.39 C ATOM 1547 CD2 PHE A 103 1.605 0.465 5.230 1.00 2.12 C ATOM 1548 CE1 PHE A 103 0.467 2.386 3.529 1.00 2.91 C ATOM 1549 CE2 PHE A 103 0.959 0.061 4.049 1.00 2.40 C ATOM 1550 CZ PHE A 103 0.394 1.023 3.197 1.00 2.27 C ATOM 0 H PHE A 103 4.106 2.316 8.609 1.00 0.48 H new ATOM 0 HA PHE A 103 4.186 2.565 5.783 1.00 0.56 H new ATOM 0 HB2 PHE A 103 2.547 1.366 7.464 1.00 0.65 H new ATOM 0 HB3 PHE A 103 1.692 2.895 7.419 1.00 0.65 H new ATOM 0 HD1 PHE A 103 1.166 3.840 4.964 1.00 2.39 H new ATOM 0 HD2 PHE A 103 2.046 -0.275 5.881 1.00 2.12 H new ATOM 0 HE1 PHE A 103 0.028 3.124 2.874 1.00 2.91 H new ATOM 0 HE2 PHE A 103 0.897 -0.987 3.797 1.00 2.40 H new ATOM 0 HZ PHE A 103 -0.097 0.715 2.286 1.00 2.27 H new ATOM 1560 N GLN A 104 3.047 5.215 7.414 1.00 0.58 N ATOM 1561 CA GLN A 104 2.816 6.648 7.356 1.00 0.63 C ATOM 1562 C GLN A 104 4.122 7.396 7.083 1.00 0.68 C ATOM 1563 O GLN A 104 4.077 8.419 6.424 1.00 0.86 O ATOM 1564 CB GLN A 104 2.156 7.110 8.661 1.00 0.76 C ATOM 1565 CG GLN A 104 1.416 8.439 8.469 1.00 0.99 C ATOM 1566 CD GLN A 104 1.093 9.086 9.808 1.00 1.54 C ATOM 1567 OE1 GLN A 104 0.200 8.646 10.531 1.00 2.55 O ATOM 1568 NE2 GLN A 104 1.823 10.138 10.163 1.00 1.86 N ATOM 0 H GLN A 104 2.826 4.808 8.323 1.00 0.58 H new ATOM 0 HA GLN A 104 2.141 6.875 6.531 1.00 0.63 H new ATOM 0 HB2 GLN A 104 1.457 6.349 9.007 1.00 0.76 H new ATOM 0 HB3 GLN A 104 2.915 7.222 9.435 1.00 0.76 H new ATOM 0 HG2 GLN A 104 2.028 9.116 7.873 1.00 0.99 H new ATOM 0 HG3 GLN A 104 0.494 8.268 7.913 1.00 0.99 H new ATOM 0 HE21 GLN A 104 2.557 10.482 9.544 1.00 1.86 H new ATOM 0 HE22 GLN A 104 1.649 10.602 11.055 1.00 1.86 H new ATOM 1577 N GLU A 105 5.276 6.919 7.552 1.00 0.62 N ATOM 1578 CA GLU A 105 6.559 7.534 7.248 1.00 0.67 C ATOM 1579 C GLU A 105 6.841 7.435 5.757 1.00 0.61 C ATOM 1580 O GLU A 105 7.100 8.448 5.111 1.00 0.66 O ATOM 1581 CB GLU A 105 7.686 6.866 8.049 1.00 0.70 C ATOM 1582 CG GLU A 105 7.697 7.356 9.503 1.00 1.16 C ATOM 1583 CD GLU A 105 8.144 8.811 9.602 1.00 2.18 C ATOM 1584 OE1 GLU A 105 9.361 9.038 9.438 1.00 2.66 O ATOM 1585 OE2 GLU A 105 7.260 9.669 9.816 1.00 3.48 O ATOM 0 H GLU A 105 5.342 6.097 8.152 1.00 0.62 H new ATOM 0 HA GLU A 105 6.516 8.585 7.533 1.00 0.67 H new ATOM 0 HB2 GLU A 105 7.559 5.784 8.028 1.00 0.70 H new ATOM 0 HB3 GLU A 105 8.646 7.083 7.582 1.00 0.70 H new ATOM 0 HG2 GLU A 105 6.700 7.251 9.930 1.00 1.16 H new ATOM 0 HG3 GLU A 105 8.364 6.729 10.094 1.00 1.16 H new ATOM 1592 N MET A 106 6.784 6.218 5.204 1.00 0.55 N ATOM 1593 CA MET A 106 7.039 6.016 3.785 1.00 0.56 C ATOM 1594 C MET A 106 6.093 6.928 2.999 1.00 0.64 C ATOM 1595 O MET A 106 6.509 7.735 2.170 1.00 0.80 O ATOM 1596 CB MET A 106 6.848 4.532 3.421 1.00 0.68 C ATOM 1597 CG MET A 106 7.678 4.044 2.219 1.00 1.15 C ATOM 1598 SD MET A 106 7.545 4.913 0.633 1.00 2.90 S ATOM 1599 CE MET A 106 8.930 6.070 0.745 1.00 2.99 C ATOM 0 H MET A 106 6.564 5.366 5.720 1.00 0.55 H new ATOM 0 HA MET A 106 8.068 6.273 3.533 1.00 0.56 H new ATOM 0 HB2 MET A 106 7.103 3.925 4.290 1.00 0.68 H new ATOM 0 HB3 MET A 106 5.793 4.358 3.209 1.00 0.68 H new ATOM 0 HG2 MET A 106 8.727 4.064 2.516 1.00 1.15 H new ATOM 0 HG3 MET A 106 7.416 3.001 2.043 1.00 1.15 H new ATOM 0 HE1 MET A 106 8.555 7.092 0.697 1.00 2.99 H new ATOM 0 HE2 MET A 106 9.454 5.920 1.689 1.00 2.99 H new ATOM 0 HE3 MET A 106 9.617 5.896 -0.083 1.00 2.99 H new ATOM 1609 N VAL A 107 4.802 6.824 3.311 1.00 0.63 N ATOM 1610 CA VAL A 107 3.766 7.522 2.581 1.00 0.68 C ATOM 1611 C VAL A 107 3.791 9.040 2.816 1.00 0.90 C ATOM 1612 O VAL A 107 3.453 9.809 1.926 1.00 1.17 O ATOM 1613 CB VAL A 107 2.414 6.883 2.914 1.00 0.54 C ATOM 1614 CG1 VAL A 107 1.271 7.676 2.292 1.00 0.59 C ATOM 1615 CG2 VAL A 107 2.344 5.453 2.361 1.00 0.45 C ATOM 0 H VAL A 107 4.453 6.251 4.079 1.00 0.63 H new ATOM 0 HA VAL A 107 3.950 7.414 1.512 1.00 0.68 H new ATOM 0 HB VAL A 107 2.318 6.877 4.000 1.00 0.54 H new ATOM 0 HG11 VAL A 107 0.321 7.203 2.542 1.00 0.59 H new ATOM 0 HG12 VAL A 107 1.282 8.695 2.679 1.00 0.59 H new ATOM 0 HG13 VAL A 107 1.391 7.698 1.209 1.00 0.59 H new ATOM 0 HG21 VAL A 107 1.377 5.015 2.607 1.00 0.45 H new ATOM 0 HG22 VAL A 107 2.468 5.475 1.278 1.00 0.45 H new ATOM 0 HG23 VAL A 107 3.138 4.852 2.805 1.00 0.45 H new ATOM 1625 N HIS A 108 4.149 9.521 4.002 1.00 0.94 N ATOM 1626 CA HIS A 108 4.139 10.955 4.260 1.00 1.08 C ATOM 1627 C HIS A 108 5.462 11.606 3.836 1.00 1.36 C ATOM 1628 O HIS A 108 5.694 12.771 4.157 1.00 1.83 O ATOM 1629 CB HIS A 108 3.805 11.234 5.730 1.00 1.44 C ATOM 1630 CG HIS A 108 3.373 12.650 6.012 1.00 1.94 C ATOM 1631 ND1 HIS A 108 3.881 13.472 6.991 1.00 2.42 N ATOM 1632 CD2 HIS A 108 2.332 13.311 5.414 1.00 3.30 C ATOM 1633 CE1 HIS A 108 3.151 14.602 6.985 1.00 2.60 C ATOM 1634 NE2 HIS A 108 2.181 14.544 6.056 1.00 3.34 N ATOM 0 H HIS A 108 4.446 8.946 4.791 1.00 0.94 H new ATOM 0 HA HIS A 108 3.356 11.409 3.653 1.00 1.08 H new ATOM 0 HB2 HIS A 108 3.012 10.556 6.045 1.00 1.44 H new ATOM 0 HB3 HIS A 108 4.680 11.006 6.338 1.00 1.44 H new ATOM 0 HD2 HIS A 108 1.734 12.945 4.593 1.00 3.30 H new ATOM 0 HE1 HIS A 108 3.322 15.444 7.640 1.00 2.60 H new ATOM 0 HE2 HIS A 108 1.477 15.256 5.859 1.00 3.34 H new ATOM 1642 N SER A 109 6.338 10.851 3.162 1.00 1.24 N ATOM 1643 CA SER A 109 7.607 11.359 2.681 1.00 1.53 C ATOM 1644 C SER A 109 7.432 12.170 1.390 1.00 1.90 C ATOM 1645 O SER A 109 8.487 12.635 0.897 1.00 2.33 O ATOM 1646 CB SER A 109 8.566 10.189 2.433 1.00 1.51 C ATOM 1647 OG SER A 109 9.835 10.689 2.060 1.00 1.88 O ATOM 1648 OXT SER A 109 6.292 12.257 0.880 1.00 2.39 O ATOM 0 H SER A 109 6.176 9.869 2.940 1.00 1.24 H new ATOM 0 HA SER A 109 8.020 12.022 3.441 1.00 1.53 H new ATOM 0 HB2 SER A 109 8.654 9.580 3.333 1.00 1.51 H new ATOM 0 HB3 SER A 109 8.173 9.543 1.648 1.00 1.51 H new ATOM 0 HG SER A 109 9.723 11.515 1.544 1.00 1.88 H new