USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 649 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 37 ASN : amide:sc= 0.773 K(o=1.2,f=0.43) USER MOD Set 1.2: A 74 SER OG : rot 50:sc= 0.445 USER MOD Set 2.1: A 41 THR OG1 : rot 122:sc= 1.35 USER MOD Set 2.2: A 75 CYS SG : rot 120:sc= 0.0317! USER MOD Set 3.1: A 27 THR OG1 : rot 78:sc= -2.1! USER MOD Set 3.2: A 40 HIS : no HD1:sc= 1.21 K(o=-0.88,f=-5.5!) USER MOD Set 4.1: A 20 ASN : amide:sc= 0.12 X(o=0.23,f=0) USER MOD Set 4.2: A 21 ASN : amide:sc= 0.115 K(o=0.23,f=-0.37) USER MOD Set 5.1: A 7 LYS NZ :NH3+ -129:sc= 0.103 (180deg=-0.174) USER MOD Set 5.2: A 14 TYR OH : rot -102:sc= 1.12 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.2 K(o=1.2,f=-0.15) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 2.35 (180deg=2.18) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 34 ASN : amide:sc= -0.0972 K(o=-0.097,f=-1.6!) USER MOD Single : A 44 SER OG : rot -158:sc= -0.657 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 1.34 (180deg=1.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 1.32 (180deg=1.17) USER MOD Single : A 63 HIS : no HE2:sc= 1 K(o=1,f=-5.5!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.782) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00489 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0.988) USER MOD Single : A 80 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : A 81 MET CE :methyl 140:sc= -2.01 (180deg=-4.21!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.177 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0195 USER MOD Single : A 89 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.29) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 15.256 2.433 5.257 1.00 1.13 N ATOM 65 CA GLU A 5 14.597 3.703 5.506 1.00 1.19 C ATOM 66 C GLU A 5 13.474 3.907 4.503 1.00 1.05 C ATOM 67 O GLU A 5 13.603 3.533 3.337 1.00 1.01 O ATOM 68 CB GLU A 5 15.603 4.849 5.403 1.00 1.48 C ATOM 69 CG GLU A 5 16.433 5.041 6.660 1.00 1.61 C ATOM 70 CD GLU A 5 15.624 5.619 7.802 1.00 2.22 C ATOM 71 OE1 GLU A 5 14.992 4.843 8.548 1.00 2.91 O ATOM 72 OE2 GLU A 5 15.616 6.854 7.963 1.00 2.57 O ATOM 0 HA GLU A 5 14.179 3.692 6.513 1.00 1.19 H new ATOM 0 HB2 GLU A 5 16.270 4.662 4.562 1.00 1.48 H new ATOM 0 HB3 GLU A 5 15.068 5.773 5.186 1.00 1.48 H new ATOM 0 HG2 GLU A 5 16.854 4.083 6.965 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.272 5.702 6.441 1.00 1.61 H new ATOM 79 N ILE A 6 12.376 4.494 4.951 1.00 1.00 N ATOM 80 CA ILE A 6 11.241 4.729 4.076 1.00 0.88 C ATOM 81 C ILE A 6 11.517 5.905 3.144 1.00 0.86 C ATOM 82 O ILE A 6 11.482 7.065 3.555 1.00 0.90 O ATOM 83 CB ILE A 6 9.943 4.990 4.872 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.725 3.887 5.911 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.748 5.074 3.927 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.501 4.097 6.777 1.00 0.92 C ATOM 0 H ILE A 6 12.247 4.815 5.911 1.00 1.00 H new ATOM 0 HA ILE A 6 11.099 3.824 3.486 1.00 0.88 H new ATOM 0 HB ILE A 6 10.040 5.943 5.393 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.636 2.930 5.398 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.605 3.824 6.551 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.841 5.258 4.503 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.900 5.889 3.219 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.648 4.135 3.383 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.413 3.276 7.488 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.596 5.038 7.319 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.611 4.129 6.148 1.00 0.92 H new ATOM 98 N LYS A 7 11.829 5.592 1.900 1.00 0.86 N ATOM 99 CA LYS A 7 12.102 6.608 0.904 1.00 0.89 C ATOM 100 C LYS A 7 10.803 7.048 0.252 1.00 0.79 C ATOM 101 O LYS A 7 9.961 6.217 -0.091 1.00 0.74 O ATOM 102 CB LYS A 7 13.058 6.075 -0.164 1.00 0.99 C ATOM 103 CG LYS A 7 14.494 5.913 0.313 1.00 1.10 C ATOM 104 CD LYS A 7 15.200 7.255 0.465 1.00 1.61 C ATOM 105 CE LYS A 7 15.308 7.999 -0.861 1.00 1.77 C ATOM 106 NZ LYS A 7 16.066 7.224 -1.879 1.00 2.23 N ATOM 0 H LYS A 7 11.900 4.635 1.555 1.00 0.86 H new ATOM 0 HA LYS A 7 12.571 7.459 1.397 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.692 5.110 -0.515 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.044 6.751 -1.019 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.502 5.389 1.269 1.00 1.10 H new ATOM 0 HG3 LYS A 7 15.043 5.292 -0.395 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.657 7.870 1.182 1.00 1.61 H new ATOM 0 HD3 LYS A 7 16.198 7.095 0.873 1.00 1.61 H new ATOM 0 HE2 LYS A 7 14.308 8.212 -1.239 1.00 1.77 H new ATOM 0 HE3 LYS A 7 15.798 8.959 -0.698 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 16.810 7.824 -2.289 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 16.500 6.393 -1.430 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 15.419 6.913 -2.631 1.00 2.23 H new ATOM 120 N GLN A 8 10.635 8.347 0.092 1.00 0.81 N ATOM 121 CA GLN A 8 9.432 8.868 -0.525 1.00 0.78 C ATOM 122 C GLN A 8 9.706 9.258 -1.967 1.00 0.90 C ATOM 123 O GLN A 8 10.755 9.819 -2.289 1.00 1.15 O ATOM 124 CB GLN A 8 8.884 10.068 0.256 1.00 0.93 C ATOM 125 CG GLN A 8 9.841 11.245 0.332 1.00 1.29 C ATOM 126 CD GLN A 8 9.184 12.491 0.889 1.00 1.76 C ATOM 127 OE1 GLN A 8 9.157 12.705 2.100 1.00 2.52 O ATOM 128 NE2 GLN A 8 8.657 13.323 0.007 1.00 1.94 N ATOM 0 H GLN A 8 11.311 9.055 0.378 1.00 0.81 H new ATOM 0 HA GLN A 8 8.677 8.082 -0.509 1.00 0.78 H new ATOM 0 HB2 GLN A 8 7.955 10.398 -0.209 1.00 0.93 H new ATOM 0 HB3 GLN A 8 8.637 9.748 1.268 1.00 0.93 H new ATOM 0 HG2 GLN A 8 10.693 10.977 0.957 1.00 1.29 H new ATOM 0 HG3 GLN A 8 10.230 11.457 -0.664 1.00 1.29 H new ATOM 0 HE21 GLN A 8 8.702 13.106 -0.989 1.00 1.94 H new ATOM 0 HE22 GLN A 8 8.206 14.182 0.322 1.00 1.94 H new ATOM 137 N GLY A 9 8.770 8.934 -2.831 1.00 0.87 N ATOM 138 CA GLY A 9 8.905 9.254 -4.229 1.00 1.04 C ATOM 139 C GLY A 9 7.678 9.962 -4.738 1.00 0.71 C ATOM 140 O GLY A 9 6.906 10.502 -3.944 1.00 0.83 O ATOM 0 H GLY A 9 7.907 8.448 -2.587 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.782 9.884 -4.379 1.00 1.04 H new ATOM 0 HA3 GLY A 9 9.067 8.341 -4.801 1.00 1.04 H new ATOM 144 N GLU A 10 7.491 9.955 -6.050 1.00 1.04 N ATOM 145 CA GLU A 10 6.336 10.598 -6.669 1.00 0.82 C ATOM 146 C GLU A 10 5.043 9.936 -6.189 1.00 0.70 C ATOM 147 O GLU A 10 4.561 8.978 -6.801 1.00 0.72 O ATOM 148 CB GLU A 10 6.455 10.517 -8.194 1.00 0.79 C ATOM 149 CG GLU A 10 5.792 11.670 -8.932 1.00 1.82 C ATOM 150 CD GLU A 10 4.287 11.533 -8.991 1.00 2.48 C ATOM 151 OE1 GLU A 10 3.783 10.779 -9.846 1.00 2.65 O ATOM 152 OE2 GLU A 10 3.596 12.179 -8.175 1.00 3.19 O ATOM 0 H GLU A 10 8.127 9.509 -6.711 1.00 1.04 H new ATOM 0 HA GLU A 10 6.309 11.648 -6.377 1.00 0.82 H new ATOM 0 HB2 GLU A 10 7.511 10.486 -8.464 1.00 0.79 H new ATOM 0 HB3 GLU A 10 6.012 9.580 -8.533 1.00 0.79 H new ATOM 0 HG2 GLU A 10 6.049 12.608 -8.439 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.188 11.724 -9.946 1.00 1.82 H new ATOM 159 N ASN A 11 4.503 10.460 -5.085 1.00 0.63 N ATOM 160 CA ASN A 11 3.286 9.935 -4.469 1.00 0.59 C ATOM 161 C ASN A 11 3.425 8.436 -4.226 1.00 0.47 C ATOM 162 O ASN A 11 2.518 7.657 -4.518 1.00 0.44 O ATOM 163 CB ASN A 11 2.051 10.226 -5.326 1.00 0.71 C ATOM 164 CG ASN A 11 1.553 11.649 -5.168 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.811 11.963 -4.235 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.949 12.518 -6.083 1.00 1.38 N ATOM 0 H ASN A 11 4.900 11.261 -4.594 1.00 0.63 H new ATOM 0 HA ASN A 11 3.150 10.440 -3.513 1.00 0.59 H new ATOM 0 HB2 ASN A 11 2.289 10.043 -6.374 1.00 0.71 H new ATOM 0 HB3 ASN A 11 1.254 9.534 -5.055 1.00 0.71 H new ATOM 0 HD21 ASN A 11 1.640 13.489 -6.032 1.00 1.38 H new ATOM 0 HD22 ASN A 11 2.564 12.218 -6.840 1.00 1.38 H new ATOM 173 N LYS A 12 4.575 8.035 -3.698 1.00 0.45 N ATOM 174 CA LYS A 12 4.831 6.626 -3.430 1.00 0.43 C ATOM 175 C LYS A 12 5.865 6.453 -2.325 1.00 0.46 C ATOM 176 O LYS A 12 6.564 7.398 -1.955 1.00 0.55 O ATOM 177 CB LYS A 12 5.329 5.928 -4.700 1.00 0.50 C ATOM 178 CG LYS A 12 6.766 6.270 -5.054 1.00 0.65 C ATOM 179 CD LYS A 12 7.302 5.387 -6.165 1.00 0.59 C ATOM 180 CE LYS A 12 8.820 5.341 -6.144 1.00 0.73 C ATOM 181 NZ LYS A 12 9.390 4.741 -7.380 1.00 0.94 N ATOM 0 H LYS A 12 5.340 8.661 -3.448 1.00 0.45 H new ATOM 0 HA LYS A 12 3.893 6.175 -3.105 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.242 4.849 -4.570 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.682 6.202 -5.534 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.825 7.314 -5.360 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.393 6.161 -4.169 1.00 0.65 H new ATOM 0 HD2 LYS A 12 6.903 4.378 -6.056 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.960 5.763 -7.129 1.00 0.59 H new ATOM 0 HE2 LYS A 12 9.209 6.352 -6.022 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.151 4.766 -5.279 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.420 4.885 -7.393 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 9.183 3.722 -7.399 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.966 5.196 -8.214 1.00 0.94 H new ATOM 195 N PHE A 13 5.961 5.233 -1.820 1.00 0.46 N ATOM 196 CA PHE A 13 6.917 4.895 -0.779 1.00 0.50 C ATOM 197 C PHE A 13 7.700 3.667 -1.212 1.00 0.50 C ATOM 198 O PHE A 13 7.123 2.712 -1.735 1.00 0.46 O ATOM 199 CB PHE A 13 6.210 4.616 0.550 1.00 0.51 C ATOM 200 CG PHE A 13 5.579 5.830 1.175 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.363 6.821 1.748 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.202 5.980 1.189 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.783 7.936 2.321 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.617 7.094 1.760 1.00 0.59 C ATOM 205 CZ PHE A 13 4.409 8.073 2.325 1.00 0.65 C ATOM 0 H PHE A 13 5.379 4.451 -2.120 1.00 0.46 H new ATOM 0 HA PHE A 13 7.590 5.739 -0.631 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.440 3.862 0.389 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.930 4.192 1.250 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.438 6.720 1.746 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.578 5.217 0.748 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.404 8.700 2.765 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.542 7.198 1.764 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.954 8.946 2.770 1.00 0.65 H new ATOM 215 N TYR A 14 9.007 3.688 -1.018 1.00 0.60 N ATOM 216 CA TYR A 14 9.838 2.562 -1.408 1.00 0.64 C ATOM 217 C TYR A 14 11.065 2.458 -0.520 1.00 0.69 C ATOM 218 O TYR A 14 11.498 3.438 0.083 1.00 0.75 O ATOM 219 CB TYR A 14 10.249 2.678 -2.883 1.00 0.67 C ATOM 220 CG TYR A 14 11.181 3.833 -3.196 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.726 5.144 -3.152 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.516 3.613 -3.523 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.570 6.202 -3.424 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.366 4.667 -3.793 1.00 1.04 C ATOM 225 CZ TYR A 14 12.890 5.941 -3.797 1.00 1.03 C ATOM 226 OH TYR A 14 13.730 7.012 -4.007 1.00 1.16 O ATOM 0 H TYR A 14 9.513 4.466 -0.596 1.00 0.60 H new ATOM 0 HA TYR A 14 9.252 1.652 -1.283 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.731 1.748 -3.185 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.349 2.782 -3.489 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.694 5.339 -2.901 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.893 2.602 -3.566 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.214 7.219 -3.349 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.409 4.480 -4.001 1.00 1.04 H new ATOM 0 HH TYR A 14 13.832 7.164 -4.970 1.00 1.16 H new ATOM 236 N ILE A 15 11.601 1.253 -0.428 1.00 0.71 N ATOM 237 CA ILE A 15 12.787 0.987 0.371 1.00 0.78 C ATOM 238 C ILE A 15 13.725 0.072 -0.409 1.00 0.92 C ATOM 239 O ILE A 15 13.290 -0.937 -0.966 1.00 0.92 O ATOM 240 CB ILE A 15 12.426 0.324 1.724 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.489 1.227 2.535 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.684 0.010 2.523 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.995 0.596 3.818 1.00 0.71 C ATOM 0 H ILE A 15 11.228 0.432 -0.904 1.00 0.71 H new ATOM 0 HA ILE A 15 13.275 1.939 0.582 1.00 0.78 H new ATOM 0 HB ILE A 15 11.909 -0.612 1.516 1.00 0.73 H new ATOM 0 HG12 ILE A 15 12.010 2.154 2.774 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.631 1.493 1.918 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.407 -0.455 3.469 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.315 -0.673 1.954 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.231 0.933 2.718 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.338 1.294 4.337 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.445 -0.316 3.587 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.845 0.355 4.456 1.00 0.71 H new ATOM 255 N GLY A 16 14.998 0.435 -0.475 1.00 1.09 N ATOM 256 CA GLY A 16 15.957 -0.378 -1.191 1.00 1.26 C ATOM 257 C GLY A 16 17.310 0.286 -1.303 1.00 1.42 C ATOM 258 O GLY A 16 17.624 1.202 -0.545 1.00 1.52 O ATOM 0 H GLY A 16 15.382 1.277 -0.046 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.067 -1.336 -0.683 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.576 -0.589 -2.190 1.00 1.26 H new ATOM 262 N ASP A 17 18.111 -0.176 -2.253 1.00 1.55 N ATOM 263 CA ASP A 17 19.446 0.373 -2.466 1.00 1.74 C ATOM 264 C ASP A 17 19.385 1.569 -3.405 1.00 1.66 C ATOM 265 O ASP A 17 20.085 2.566 -3.214 1.00 1.78 O ATOM 266 CB ASP A 17 20.368 -0.701 -3.054 1.00 1.95 C ATOM 267 CG ASP A 17 21.778 -0.204 -3.313 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.033 0.326 -4.415 1.00 2.14 O ATOM 269 OD2 ASP A 17 22.634 -0.312 -2.406 1.00 2.62 O ATOM 0 H ASP A 17 17.860 -0.932 -2.891 1.00 1.55 H new ATOM 0 HA ASP A 17 19.843 0.700 -1.505 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.409 -1.549 -2.370 1.00 1.95 H new ATOM 0 HB3 ASP A 17 19.941 -1.065 -3.988 1.00 1.95 H new ATOM 274 N ASP A 18 18.529 1.462 -4.406 1.00 1.53 N ATOM 275 CA ASP A 18 18.355 2.513 -5.402 1.00 1.48 C ATOM 276 C ASP A 18 16.918 2.482 -5.917 1.00 1.37 C ATOM 277 O ASP A 18 16.187 1.535 -5.627 1.00 1.29 O ATOM 278 CB ASP A 18 19.360 2.303 -6.548 1.00 1.53 C ATOM 279 CG ASP A 18 19.114 3.188 -7.754 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.116 4.426 -7.602 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.913 2.644 -8.862 1.00 1.41 O ATOM 0 H ASP A 18 17.934 0.647 -4.554 1.00 1.53 H new ATOM 0 HA ASP A 18 18.543 3.490 -4.957 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.367 2.489 -6.173 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.324 1.260 -6.862 1.00 1.53 H new ATOM 286 N GLU A 19 16.514 3.512 -6.653 1.00 1.41 N ATOM 287 CA GLU A 19 15.166 3.590 -7.207 1.00 1.38 C ATOM 288 C GLU A 19 14.856 2.344 -8.035 1.00 1.34 C ATOM 289 O GLU A 19 13.772 1.767 -7.935 1.00 1.34 O ATOM 290 CB GLU A 19 15.037 4.841 -8.080 1.00 1.49 C ATOM 291 CG GLU A 19 13.605 5.220 -8.413 1.00 1.76 C ATOM 292 CD GLU A 19 12.966 6.063 -7.333 1.00 2.08 C ATOM 293 OE1 GLU A 19 13.640 6.967 -6.805 1.00 2.72 O ATOM 294 OE2 GLU A 19 11.786 5.816 -7.001 1.00 2.43 O ATOM 0 H GLU A 19 17.106 4.311 -6.881 1.00 1.41 H new ATOM 0 HA GLU A 19 14.452 3.648 -6.385 1.00 1.38 H new ATOM 0 HB2 GLU A 19 15.514 5.678 -7.569 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.584 4.681 -9.009 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.587 5.767 -9.356 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.017 4.314 -8.559 1.00 1.76 H new ATOM 301 N ASN A 20 15.831 1.923 -8.831 1.00 1.37 N ATOM 302 CA ASN A 20 15.682 0.748 -9.679 1.00 1.39 C ATOM 303 C ASN A 20 15.853 -0.528 -8.864 1.00 1.40 C ATOM 304 O ASN A 20 15.134 -1.507 -9.057 1.00 1.52 O ATOM 305 CB ASN A 20 16.715 0.783 -10.810 1.00 1.48 C ATOM 306 CG ASN A 20 16.613 -0.418 -11.735 1.00 2.08 C ATOM 307 OD1 ASN A 20 15.758 -0.459 -12.622 1.00 2.92 O ATOM 308 ND2 ASN A 20 17.487 -1.395 -11.548 1.00 2.15 N ATOM 0 H ASN A 20 16.739 2.382 -8.907 1.00 1.37 H new ATOM 0 HA ASN A 20 14.679 0.757 -10.106 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.581 1.696 -11.390 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.716 0.822 -10.381 1.00 1.48 H new ATOM 0 HD21 ASN A 20 17.468 -2.219 -12.149 1.00 2.15 H new ATOM 0 HD22 ASN A 20 18.180 -1.324 -10.803 1.00 2.15 H new ATOM 315 N ASN A 21 16.790 -0.492 -7.929 1.00 1.36 N ATOM 316 CA ASN A 21 17.082 -1.646 -7.089 1.00 1.38 C ATOM 317 C ASN A 21 16.307 -1.570 -5.784 1.00 1.25 C ATOM 318 O ASN A 21 16.855 -1.785 -4.699 1.00 1.23 O ATOM 319 CB ASN A 21 18.585 -1.752 -6.810 1.00 1.54 C ATOM 320 CG ASN A 21 19.321 -2.515 -7.893 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.958 -2.452 -9.069 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.353 -3.252 -7.509 1.00 2.45 N ATOM 0 H ASN A 21 17.364 0.327 -7.731 1.00 1.36 H new ATOM 0 HA ASN A 21 16.769 -2.541 -7.627 1.00 1.38 H new ATOM 0 HB2 ASN A 21 19.007 -0.751 -6.724 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.740 -2.247 -5.851 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.877 -3.793 -8.197 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.623 -3.278 -6.526 1.00 2.45 H new ATOM 329 N ALA A 22 15.037 -1.219 -5.898 1.00 1.19 N ATOM 330 CA ALA A 22 14.158 -1.131 -4.744 1.00 1.09 C ATOM 331 C ALA A 22 13.768 -2.528 -4.276 1.00 1.06 C ATOM 332 O ALA A 22 13.464 -3.402 -5.090 1.00 1.14 O ATOM 333 CB ALA A 22 12.916 -0.311 -5.078 1.00 1.04 C ATOM 0 H ALA A 22 14.589 -0.989 -6.785 1.00 1.19 H new ATOM 0 HA ALA A 22 14.690 -0.628 -3.937 1.00 1.09 H new ATOM 0 HB1 ALA A 22 12.270 -0.256 -4.202 1.00 1.04 H new ATOM 0 HB2 ALA A 22 13.213 0.695 -5.373 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.376 -0.785 -5.898 1.00 1.04 H new ATOM 339 N LEU A 23 13.789 -2.738 -2.969 1.00 0.99 N ATOM 340 CA LEU A 23 13.442 -4.028 -2.395 1.00 0.99 C ATOM 341 C LEU A 23 11.932 -4.137 -2.244 1.00 0.87 C ATOM 342 O LEU A 23 11.344 -5.192 -2.470 1.00 0.95 O ATOM 343 CB LEU A 23 14.123 -4.206 -1.038 1.00 1.05 C ATOM 344 CG LEU A 23 15.653 -4.181 -1.064 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.209 -4.189 0.352 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.194 -5.363 -1.856 1.00 1.37 C ATOM 0 H LEU A 23 14.044 -2.028 -2.283 1.00 0.99 H new ATOM 0 HA LEU A 23 13.790 -4.816 -3.063 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.775 -3.419 -0.370 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.799 -5.154 -0.609 1.00 1.05 H new ATOM 0 HG LEU A 23 15.974 -3.263 -1.556 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.298 -4.171 0.315 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.849 -3.311 0.889 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.878 -5.091 0.868 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.283 -5.328 -1.863 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.864 -6.293 -1.393 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.823 -5.316 -2.880 1.00 1.37 H new ATOM 358 N ALA A 24 11.316 -3.031 -1.865 1.00 0.77 N ATOM 359 CA ALA A 24 9.876 -2.970 -1.691 1.00 0.66 C ATOM 360 C ALA A 24 9.363 -1.612 -2.145 1.00 0.60 C ATOM 361 O ALA A 24 9.880 -0.579 -1.718 1.00 0.67 O ATOM 362 CB ALA A 24 9.507 -3.227 -0.239 1.00 0.71 C ATOM 0 H ALA A 24 11.798 -2.153 -1.670 1.00 0.77 H new ATOM 0 HA ALA A 24 9.409 -3.744 -2.300 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.424 -3.178 -0.125 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.859 -4.216 0.056 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.973 -2.472 0.394 1.00 0.71 H new ATOM 368 N GLU A 25 8.372 -1.611 -3.023 1.00 0.54 N ATOM 369 CA GLU A 25 7.820 -0.367 -3.532 1.00 0.52 C ATOM 370 C GLU A 25 6.297 -0.400 -3.548 1.00 0.43 C ATOM 371 O GLU A 25 5.687 -1.355 -4.039 1.00 0.45 O ATOM 372 CB GLU A 25 8.350 -0.096 -4.944 1.00 0.65 C ATOM 373 CG GLU A 25 7.855 1.211 -5.545 1.00 0.84 C ATOM 374 CD GLU A 25 8.215 1.356 -7.008 1.00 0.87 C ATOM 375 OE1 GLU A 25 7.552 0.715 -7.851 1.00 1.02 O ATOM 376 OE2 GLU A 25 9.154 2.120 -7.322 1.00 1.33 O ATOM 0 H GLU A 25 7.936 -2.454 -3.396 1.00 0.54 H new ATOM 0 HA GLU A 25 8.134 0.436 -2.865 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.440 -0.083 -4.917 1.00 0.65 H new ATOM 0 HB3 GLU A 25 8.057 -0.919 -5.596 1.00 0.65 H new ATOM 0 HG2 GLU A 25 6.772 1.270 -5.434 1.00 0.84 H new ATOM 0 HG3 GLU A 25 8.278 2.046 -4.987 1.00 0.84 H new ATOM 383 N ILE A 26 5.693 0.644 -3.003 1.00 0.40 N ATOM 384 CA ILE A 26 4.247 0.768 -2.967 1.00 0.33 C ATOM 385 C ILE A 26 3.844 2.142 -3.509 1.00 0.33 C ATOM 386 O ILE A 26 4.380 3.171 -3.085 1.00 0.38 O ATOM 387 CB ILE A 26 3.685 0.552 -1.536 1.00 0.34 C ATOM 388 CG1 ILE A 26 2.158 0.639 -1.538 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.274 1.558 -0.554 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.521 0.243 -0.222 1.00 0.34 C ATOM 0 H ILE A 26 6.190 1.425 -2.575 1.00 0.40 H new ATOM 0 HA ILE A 26 3.817 -0.012 -3.596 1.00 0.33 H new ATOM 0 HB ILE A 26 3.977 -0.447 -1.211 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.862 1.659 -1.782 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.768 -0.003 -2.328 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.861 1.381 0.439 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.358 1.444 -0.522 1.00 0.41 H new ATOM 0 HG23 ILE A 26 4.025 2.569 -0.876 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.437 0.330 -0.301 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.786 -0.788 0.015 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.881 0.901 0.569 1.00 0.34 H new ATOM 402 N THR A 27 2.926 2.161 -4.463 1.00 0.33 N ATOM 403 CA THR A 27 2.489 3.410 -5.068 1.00 0.35 C ATOM 404 C THR A 27 1.011 3.676 -4.803 1.00 0.37 C ATOM 405 O THR A 27 0.211 2.745 -4.692 1.00 0.41 O ATOM 406 CB THR A 27 2.729 3.386 -6.589 1.00 0.40 C ATOM 407 OG1 THR A 27 2.267 2.148 -7.132 1.00 0.60 O ATOM 408 CG2 THR A 27 4.201 3.554 -6.920 1.00 0.51 C ATOM 0 H THR A 27 2.470 1.328 -4.834 1.00 0.33 H new ATOM 0 HA THR A 27 3.075 4.209 -4.613 1.00 0.35 H new ATOM 0 HB THR A 27 2.178 4.218 -7.027 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.291 2.171 -7.214 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.336 3.532 -8.001 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.555 4.508 -6.529 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.771 2.742 -6.467 1.00 0.51 H new ATOM 416 N TYR A 28 0.662 4.951 -4.696 1.00 0.39 N ATOM 417 CA TYR A 28 -0.715 5.357 -4.472 1.00 0.45 C ATOM 418 C TYR A 28 -1.012 6.596 -5.301 1.00 0.48 C ATOM 419 O TYR A 28 -0.092 7.250 -5.796 1.00 0.68 O ATOM 420 CB TYR A 28 -0.981 5.623 -2.980 1.00 0.48 C ATOM 421 CG TYR A 28 -0.163 6.750 -2.379 1.00 0.49 C ATOM 422 CD1 TYR A 28 -0.556 8.075 -2.518 1.00 0.59 C ATOM 423 CD2 TYR A 28 1.010 6.487 -1.680 1.00 0.51 C ATOM 424 CE1 TYR A 28 0.195 9.103 -1.976 1.00 0.66 C ATOM 425 CE2 TYR A 28 1.762 7.507 -1.136 1.00 0.60 C ATOM 426 CZ TYR A 28 1.326 8.819 -1.264 1.00 0.65 C ATOM 427 OH TYR A 28 2.103 9.829 -0.743 1.00 0.76 O ATOM 0 H TYR A 28 1.321 5.726 -4.762 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.377 4.548 -4.781 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.039 5.851 -2.849 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.780 4.709 -2.421 1.00 0.48 H new ATOM 0 HD1 TYR A 28 -1.462 8.307 -3.058 1.00 0.59 H new ATOM 0 HD2 TYR A 28 1.338 5.465 -1.561 1.00 0.51 H new ATOM 0 HE1 TYR A 28 -0.113 10.129 -2.116 1.00 0.66 H new ATOM 0 HE2 TYR A 28 2.682 7.287 -0.615 1.00 0.60 H new ATOM 0 HH TYR A 28 2.867 9.442 -0.266 1.00 0.76 H new ATOM 437 N ARG A 29 -2.284 6.915 -5.467 1.00 0.42 N ATOM 438 CA ARG A 29 -2.669 8.086 -6.241 1.00 0.48 C ATOM 439 C ARG A 29 -3.987 8.653 -5.751 1.00 0.48 C ATOM 440 O ARG A 29 -4.845 7.921 -5.256 1.00 0.49 O ATOM 441 CB ARG A 29 -2.787 7.733 -7.719 1.00 0.56 C ATOM 442 CG ARG A 29 -2.402 8.867 -8.653 1.00 0.93 C ATOM 443 CD ARG A 29 -1.142 8.536 -9.435 1.00 1.22 C ATOM 444 NE ARG A 29 -0.051 8.107 -8.559 1.00 1.83 N ATOM 445 CZ ARG A 29 1.189 8.584 -8.618 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.512 9.497 -9.525 1.00 3.23 N ATOM 447 NH2 ARG A 29 2.107 8.140 -7.770 1.00 3.63 N ATOM 0 H ARG A 29 -3.064 6.385 -5.080 1.00 0.42 H new ATOM 0 HA ARG A 29 -1.892 8.840 -6.110 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.154 6.871 -7.929 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -3.813 7.433 -7.930 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.221 9.064 -9.345 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.245 9.779 -8.076 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.359 7.748 -10.156 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -0.828 9.411 -10.004 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.255 7.396 -7.857 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.808 9.836 -10.181 1.00 3.23 H new ATOM 0 HH12 ARG A 29 2.464 9.860 -9.567 1.00 3.23 H new ATOM 0 HH21 ARG A 29 1.861 7.435 -7.075 1.00 3.63 H new ATOM 0 HH22 ARG A 29 3.059 8.504 -7.813 1.00 3.63 H new ATOM 461 N PHE A 30 -4.136 9.956 -5.890 1.00 0.56 N ATOM 462 CA PHE A 30 -5.354 10.636 -5.481 1.00 0.60 C ATOM 463 C PHE A 30 -6.384 10.556 -6.600 1.00 0.68 C ATOM 464 O PHE A 30 -6.275 11.252 -7.610 1.00 0.83 O ATOM 465 CB PHE A 30 -5.069 12.098 -5.123 1.00 0.66 C ATOM 466 CG PHE A 30 -4.487 12.284 -3.749 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.117 12.245 -3.554 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.310 12.497 -2.655 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.578 12.416 -2.294 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.776 12.667 -1.391 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.415 12.628 -1.208 1.00 0.82 C ATOM 0 H PHE A 30 -3.424 10.570 -6.286 1.00 0.56 H new ATOM 0 HA PHE A 30 -5.749 10.143 -4.593 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -4.381 12.515 -5.858 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -5.996 12.667 -5.195 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.462 12.079 -4.397 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.381 12.531 -2.791 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.508 12.385 -2.154 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.429 12.831 -0.547 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.998 12.762 -0.221 1.00 0.82 H new ATOM 481 N VAL A 31 -7.373 9.694 -6.422 1.00 0.62 N ATOM 482 CA VAL A 31 -8.406 9.504 -7.430 1.00 0.70 C ATOM 483 C VAL A 31 -9.430 10.634 -7.427 1.00 0.73 C ATOM 484 O VAL A 31 -9.851 11.095 -8.491 1.00 0.83 O ATOM 485 CB VAL A 31 -9.137 8.156 -7.258 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.240 7.007 -7.682 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.602 7.960 -5.826 1.00 0.67 C ATOM 0 H VAL A 31 -7.483 9.115 -5.590 1.00 0.62 H new ATOM 0 HA VAL A 31 -7.888 9.506 -8.389 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.018 8.170 -7.900 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -8.772 6.064 -7.554 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -7.964 7.129 -8.729 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.340 7.002 -7.067 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.113 7.001 -5.737 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -8.740 7.975 -5.158 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.287 8.763 -5.553 1.00 0.67 H new ATOM 497 N ASP A 32 -9.830 11.087 -6.243 1.00 0.72 N ATOM 498 CA ASP A 32 -10.817 12.156 -6.145 1.00 0.84 C ATOM 499 C ASP A 32 -10.288 13.344 -5.352 1.00 0.97 C ATOM 500 O ASP A 32 -9.755 14.286 -5.932 1.00 1.74 O ATOM 501 CB ASP A 32 -12.118 11.647 -5.524 1.00 0.84 C ATOM 502 CG ASP A 32 -13.236 12.672 -5.594 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.943 12.725 -6.622 1.00 1.16 O ATOM 504 OD2 ASP A 32 -13.402 13.440 -4.625 1.00 1.16 O ATOM 0 H ASP A 32 -9.491 10.735 -5.348 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.022 12.494 -7.161 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.430 10.738 -6.038 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -11.939 11.380 -4.483 1.00 0.84 H new ATOM 509 N ASN A 33 -10.414 13.306 -4.030 1.00 0.89 N ATOM 510 CA ASN A 33 -9.953 14.419 -3.207 1.00 0.95 C ATOM 511 C ASN A 33 -9.081 13.960 -2.048 1.00 0.84 C ATOM 512 O ASN A 33 -7.943 14.398 -1.914 1.00 1.07 O ATOM 513 CB ASN A 33 -11.143 15.214 -2.667 1.00 1.09 C ATOM 514 CG ASN A 33 -11.594 16.307 -3.615 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.116 17.440 -3.542 1.00 2.09 O ATOM 516 ND2 ASN A 33 -12.519 15.983 -4.505 1.00 2.72 N ATOM 0 H ASN A 33 -10.825 12.530 -3.511 1.00 0.89 H new ATOM 0 HA ASN A 33 -9.345 15.055 -3.850 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -11.974 14.534 -2.481 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -10.873 15.658 -1.709 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -12.861 16.683 -5.163 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -12.889 15.033 -4.533 1.00 2.72 H new ATOM 523 N ASN A 34 -9.607 13.072 -1.221 1.00 0.73 N ATOM 524 CA ASN A 34 -8.865 12.595 -0.057 1.00 0.86 C ATOM 525 C ASN A 34 -8.711 11.085 -0.084 1.00 0.88 C ATOM 526 O ASN A 34 -8.303 10.475 0.902 1.00 1.22 O ATOM 527 CB ASN A 34 -9.566 13.020 1.239 1.00 1.01 C ATOM 528 CG ASN A 34 -9.148 14.402 1.699 1.00 1.35 C ATOM 529 OD1 ASN A 34 -8.032 14.845 1.441 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.043 15.094 2.384 1.00 1.83 N ATOM 0 H ASN A 34 -10.537 12.667 -1.329 1.00 0.73 H new ATOM 0 HA ASN A 34 -7.872 13.044 -0.092 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -10.645 13.002 1.087 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -9.343 12.297 2.023 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -9.817 16.031 2.718 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -10.960 14.691 2.578 1.00 1.83 H new ATOM 537 N GLU A 35 -9.050 10.484 -1.211 1.00 0.64 N ATOM 538 CA GLU A 35 -8.951 9.042 -1.359 1.00 0.62 C ATOM 539 C GLU A 35 -7.701 8.663 -2.130 1.00 0.57 C ATOM 540 O GLU A 35 -7.476 9.136 -3.249 1.00 0.59 O ATOM 541 CB GLU A 35 -10.187 8.487 -2.066 1.00 0.68 C ATOM 542 CG GLU A 35 -11.491 9.032 -1.512 1.00 1.01 C ATOM 543 CD GLU A 35 -12.049 10.162 -2.348 1.00 1.41 C ATOM 544 OE1 GLU A 35 -11.478 11.268 -2.307 1.00 2.25 O ATOM 545 OE2 GLU A 35 -13.064 9.947 -3.051 1.00 1.47 O ATOM 0 H GLU A 35 -9.396 10.972 -2.037 1.00 0.64 H new ATOM 0 HA GLU A 35 -8.890 8.607 -0.362 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.125 8.722 -3.129 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.189 7.400 -1.979 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.224 8.227 -1.459 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.330 9.384 -0.493 1.00 1.01 H new ATOM 552 N ILE A 36 -6.892 7.815 -1.521 1.00 0.52 N ATOM 553 CA ILE A 36 -5.661 7.348 -2.133 1.00 0.48 C ATOM 554 C ILE A 36 -5.808 5.890 -2.547 1.00 0.46 C ATOM 555 O ILE A 36 -6.116 5.026 -1.723 1.00 0.53 O ATOM 556 CB ILE A 36 -4.452 7.504 -1.182 1.00 0.47 C ATOM 557 CG1 ILE A 36 -4.837 7.118 0.252 1.00 0.48 C ATOM 558 CG2 ILE A 36 -3.927 8.933 -1.228 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.682 7.173 1.227 1.00 0.51 C ATOM 0 H ILE A 36 -7.069 7.432 -0.592 1.00 0.52 H new ATOM 0 HA ILE A 36 -5.474 7.964 -3.013 1.00 0.48 H new ATOM 0 HB ILE A 36 -3.661 6.831 -1.514 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.626 7.785 0.599 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.251 6.110 0.249 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.076 9.030 -0.554 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -3.614 9.173 -2.244 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -4.715 9.620 -0.919 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.030 6.888 2.220 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.901 6.485 0.905 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.282 8.186 1.260 1.00 0.51 H new ATOM 571 N ASN A 37 -5.613 5.625 -3.829 1.00 0.44 N ATOM 572 CA ASN A 37 -5.743 4.273 -4.351 1.00 0.46 C ATOM 573 C ASN A 37 -4.386 3.604 -4.515 1.00 0.42 C ATOM 574 O ASN A 37 -3.475 4.170 -5.117 1.00 0.50 O ATOM 575 CB ASN A 37 -6.471 4.291 -5.697 1.00 0.54 C ATOM 576 CG ASN A 37 -6.617 2.903 -6.298 1.00 0.86 C ATOM 577 OD1 ASN A 37 -6.898 1.930 -5.595 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.416 2.796 -7.603 1.00 0.98 N ATOM 0 H ASN A 37 -5.365 6.326 -4.527 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.323 3.698 -3.630 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.459 4.733 -5.566 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -5.926 4.929 -6.393 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.492 1.886 -8.058 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -6.185 3.623 -8.153 1.00 0.98 H new ATOM 585 N ILE A 38 -4.264 2.409 -3.963 1.00 0.36 N ATOM 586 CA ILE A 38 -3.041 1.632 -4.061 1.00 0.33 C ATOM 587 C ILE A 38 -3.252 0.489 -5.049 1.00 0.41 C ATOM 588 O ILE A 38 -3.997 -0.455 -4.771 1.00 0.53 O ATOM 589 CB ILE A 38 -2.627 1.054 -2.691 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.460 2.180 -1.664 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.339 0.252 -2.816 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.479 1.705 -0.226 1.00 0.69 C ATOM 0 H ILE A 38 -5.008 1.951 -3.436 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.244 2.291 -4.405 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.416 0.385 -2.347 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.519 2.695 -1.854 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.257 2.910 -1.806 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.063 -0.148 -1.840 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.489 -0.570 -3.516 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.542 0.899 -3.182 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.355 2.558 0.441 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.430 1.216 -0.017 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.665 0.998 -0.065 1.00 0.69 H new ATOM 604 N ASP A 39 -2.629 0.578 -6.211 1.00 0.52 N ATOM 605 CA ASP A 39 -2.785 -0.457 -7.227 1.00 0.73 C ATOM 606 C ASP A 39 -1.493 -1.243 -7.437 1.00 0.50 C ATOM 607 O ASP A 39 -1.526 -2.453 -7.661 1.00 0.64 O ATOM 608 CB ASP A 39 -3.254 0.164 -8.546 1.00 1.08 C ATOM 609 CG ASP A 39 -3.207 -0.813 -9.708 1.00 1.73 C ATOM 610 OD1 ASP A 39 -4.088 -1.702 -9.786 1.00 2.16 O ATOM 611 OD2 ASP A 39 -2.302 -0.686 -10.560 1.00 2.47 O ATOM 0 H ASP A 39 -2.015 1.348 -6.477 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.541 -1.158 -6.874 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -4.274 0.531 -8.427 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -2.630 1.027 -8.778 1.00 1.08 H new ATOM 616 N HIS A 40 -0.356 -0.572 -7.342 1.00 0.37 N ATOM 617 CA HIS A 40 0.924 -1.235 -7.545 1.00 0.44 C ATOM 618 C HIS A 40 1.673 -1.428 -6.228 1.00 0.39 C ATOM 619 O HIS A 40 1.868 -0.489 -5.455 1.00 0.42 O ATOM 620 CB HIS A 40 1.779 -0.451 -8.558 1.00 0.72 C ATOM 621 CG HIS A 40 3.251 -0.774 -8.526 1.00 0.72 C ATOM 622 ND1 HIS A 40 3.792 -1.907 -9.094 1.00 1.59 N ATOM 623 CD2 HIS A 40 4.294 -0.095 -7.990 1.00 0.92 C ATOM 624 CE1 HIS A 40 5.099 -1.911 -8.906 1.00 2.12 C ATOM 625 NE2 HIS A 40 5.430 -0.821 -8.239 1.00 1.64 N ATOM 0 H HIS A 40 -0.292 0.423 -7.127 1.00 0.37 H new ATOM 0 HA HIS A 40 0.727 -2.227 -7.952 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.400 -0.647 -9.561 1.00 0.72 H new ATOM 0 HB3 HIS A 40 1.651 0.615 -8.372 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.240 0.846 -7.463 1.00 0.92 H new ATOM 0 HE1 HIS A 40 5.782 -2.677 -9.242 1.00 2.12 H new ATOM 0 HE2 HIS A 40 6.375 -0.562 -7.956 1.00 1.64 H new ATOM 634 N THR A 41 2.071 -2.666 -5.980 1.00 0.41 N ATOM 635 CA THR A 41 2.821 -3.029 -4.786 1.00 0.45 C ATOM 636 C THR A 41 3.730 -4.207 -5.106 1.00 0.54 C ATOM 637 O THR A 41 3.249 -5.315 -5.336 1.00 0.73 O ATOM 638 CB THR A 41 1.891 -3.422 -3.620 1.00 0.48 C ATOM 639 OG1 THR A 41 0.696 -2.632 -3.657 1.00 0.48 O ATOM 640 CG2 THR A 41 2.585 -3.225 -2.280 1.00 0.55 C ATOM 0 H THR A 41 1.883 -3.451 -6.603 1.00 0.41 H new ATOM 0 HA THR A 41 3.402 -2.159 -4.480 1.00 0.45 H new ATOM 0 HB THR A 41 1.637 -4.476 -3.731 1.00 0.48 H new ATOM 0 HG1 THR A 41 -0.084 -3.222 -3.719 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.908 -3.509 -1.474 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.479 -3.847 -2.239 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.865 -2.178 -2.166 1.00 0.55 H new ATOM 648 N GLY A 42 5.033 -3.970 -5.145 1.00 0.55 N ATOM 649 CA GLY A 42 5.955 -5.042 -5.454 1.00 0.66 C ATOM 650 C GLY A 42 7.092 -5.135 -4.467 1.00 0.64 C ATOM 651 O GLY A 42 7.694 -4.126 -4.097 1.00 0.70 O ATOM 0 H GLY A 42 5.465 -3.063 -4.970 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.414 -5.988 -5.469 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.360 -4.891 -6.455 1.00 0.66 H new ATOM 655 N VAL A 43 7.365 -6.350 -4.023 1.00 0.67 N ATOM 656 CA VAL A 43 8.439 -6.615 -3.078 1.00 0.71 C ATOM 657 C VAL A 43 9.319 -7.727 -3.630 1.00 0.74 C ATOM 658 O VAL A 43 8.832 -8.616 -4.327 1.00 0.82 O ATOM 659 CB VAL A 43 7.891 -7.035 -1.690 1.00 0.79 C ATOM 660 CG1 VAL A 43 9.015 -7.181 -0.671 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.849 -6.042 -1.195 1.00 0.80 C ATOM 0 H VAL A 43 6.848 -7.182 -4.307 1.00 0.67 H new ATOM 0 HA VAL A 43 9.013 -5.698 -2.947 1.00 0.71 H new ATOM 0 HB VAL A 43 7.413 -8.008 -1.806 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.597 -7.476 0.292 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.717 -7.942 -1.011 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.535 -6.229 -0.564 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.479 -6.358 -0.220 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.300 -5.054 -1.109 1.00 0.80 H new ATOM 0 HG23 VAL A 43 6.020 -6.002 -1.902 1.00 0.80 H new ATOM 671 N SER A 44 10.606 -7.670 -3.344 1.00 0.82 N ATOM 672 CA SER A 44 11.521 -8.687 -3.821 1.00 0.90 C ATOM 673 C SER A 44 11.300 -9.993 -3.063 1.00 1.01 C ATOM 674 O SER A 44 11.410 -10.032 -1.836 1.00 1.32 O ATOM 675 CB SER A 44 12.962 -8.225 -3.643 1.00 1.27 C ATOM 676 OG SER A 44 13.086 -6.835 -3.904 1.00 1.83 O ATOM 0 H SER A 44 11.039 -6.934 -2.786 1.00 0.82 H new ATOM 0 HA SER A 44 11.331 -8.855 -4.881 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.293 -8.439 -2.627 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.613 -8.784 -4.315 1.00 1.27 H new ATOM 0 HG SER A 44 14.017 -6.626 -4.128 1.00 1.83 H new ATOM 759 N GLY A 51 8.704 -8.595 5.719 1.00 1.01 N ATOM 760 CA GLY A 51 7.928 -7.807 6.658 1.00 1.11 C ATOM 761 C GLY A 51 7.935 -6.328 6.316 1.00 0.88 C ATOM 762 O GLY A 51 7.172 -5.550 6.890 1.00 0.86 O ATOM 0 HA2 GLY A 51 6.900 -8.170 6.670 1.00 1.11 H new ATOM 0 HA3 GLY A 51 8.327 -7.947 7.663 1.00 1.11 H new ATOM 766 N VAL A 52 8.789 -5.942 5.371 1.00 0.80 N ATOM 767 CA VAL A 52 8.898 -4.550 4.940 1.00 0.68 C ATOM 768 C VAL A 52 7.557 -4.039 4.409 1.00 0.58 C ATOM 769 O VAL A 52 7.206 -2.872 4.592 1.00 0.56 O ATOM 770 CB VAL A 52 9.976 -4.381 3.845 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.169 -2.916 3.492 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.294 -4.993 4.288 1.00 1.14 C ATOM 0 H VAL A 52 9.420 -6.579 4.886 1.00 0.80 H new ATOM 0 HA VAL A 52 9.189 -3.965 5.813 1.00 0.68 H new ATOM 0 HB VAL A 52 9.631 -4.906 2.954 1.00 0.70 H new ATOM 0 HG11 VAL A 52 10.933 -2.825 2.720 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.230 -2.504 3.124 1.00 0.91 H new ATOM 0 HG13 VAL A 52 10.483 -2.366 4.379 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.038 -4.863 3.502 1.00 1.14 H new ATOM 0 HG22 VAL A 52 11.637 -4.500 5.198 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.154 -6.056 4.482 1.00 1.14 H new ATOM 782 N GLY A 53 6.805 -4.935 3.775 1.00 0.59 N ATOM 783 CA GLY A 53 5.508 -4.572 3.227 1.00 0.58 C ATOM 784 C GLY A 53 4.544 -4.094 4.296 1.00 0.51 C ATOM 785 O GLY A 53 3.706 -3.225 4.047 1.00 0.50 O ATOM 0 H GLY A 53 7.071 -5.909 3.630 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.638 -3.788 2.481 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.080 -5.433 2.713 1.00 0.58 H new ATOM 789 N LYS A 54 4.676 -4.652 5.494 1.00 0.52 N ATOM 790 CA LYS A 54 3.817 -4.282 6.609 1.00 0.50 C ATOM 791 C LYS A 54 4.083 -2.840 7.019 1.00 0.48 C ATOM 792 O LYS A 54 3.155 -2.070 7.261 1.00 0.48 O ATOM 793 CB LYS A 54 4.057 -5.214 7.802 1.00 0.59 C ATOM 794 CG LYS A 54 3.621 -6.654 7.570 1.00 0.75 C ATOM 795 CD LYS A 54 2.118 -6.759 7.366 1.00 1.08 C ATOM 796 CE LYS A 54 1.562 -8.041 7.955 1.00 1.49 C ATOM 797 NZ LYS A 54 1.197 -7.884 9.388 1.00 2.02 N ATOM 0 H LYS A 54 5.372 -5.364 5.717 1.00 0.52 H new ATOM 0 HA LYS A 54 2.779 -4.378 6.292 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.119 -5.203 8.048 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.525 -4.821 8.668 1.00 0.59 H new ATOM 0 HG2 LYS A 54 4.136 -7.054 6.697 1.00 0.75 H new ATOM 0 HG3 LYS A 54 3.916 -7.266 8.422 1.00 0.75 H new ATOM 0 HD2 LYS A 54 1.627 -5.903 7.828 1.00 1.08 H new ATOM 0 HD3 LYS A 54 1.891 -6.719 6.301 1.00 1.08 H new ATOM 0 HE2 LYS A 54 0.683 -8.349 7.389 1.00 1.49 H new ATOM 0 HE3 LYS A 54 2.300 -8.836 7.854 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 0.790 -8.773 9.742 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 2.047 -7.649 9.939 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 0.498 -7.120 9.487 1.00 2.02 H new ATOM 811 N LYS A 55 5.361 -2.479 7.069 1.00 0.51 N ATOM 812 CA LYS A 55 5.765 -1.133 7.449 1.00 0.54 C ATOM 813 C LYS A 55 5.322 -0.114 6.406 1.00 0.47 C ATOM 814 O LYS A 55 4.860 0.975 6.751 1.00 0.48 O ATOM 815 CB LYS A 55 7.282 -1.063 7.641 1.00 0.65 C ATOM 816 CG LYS A 55 7.774 -1.808 8.869 1.00 1.28 C ATOM 817 CD LYS A 55 9.277 -1.666 9.036 1.00 1.72 C ATOM 818 CE LYS A 55 9.737 -2.134 10.408 1.00 2.30 C ATOM 819 NZ LYS A 55 9.634 -3.608 10.562 1.00 2.57 N ATOM 0 H LYS A 55 6.137 -3.104 6.850 1.00 0.51 H new ATOM 0 HA LYS A 55 5.278 -0.891 8.394 1.00 0.54 H new ATOM 0 HB2 LYS A 55 7.771 -1.473 6.757 1.00 0.65 H new ATOM 0 HB3 LYS A 55 7.583 -0.018 7.716 1.00 0.65 H new ATOM 0 HG2 LYS A 55 7.270 -1.424 9.756 1.00 1.28 H new ATOM 0 HG3 LYS A 55 7.513 -2.863 8.785 1.00 1.28 H new ATOM 0 HD2 LYS A 55 9.785 -2.245 8.265 1.00 1.72 H new ATOM 0 HD3 LYS A 55 9.562 -0.624 8.892 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.770 -1.825 10.568 1.00 2.30 H new ATOM 0 HE3 LYS A 55 9.136 -1.647 11.176 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 9.958 -3.881 11.512 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 8.644 -3.902 10.436 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 10.227 -4.074 9.846 1.00 2.57 H new ATOM 833 N LEU A 56 5.452 -0.476 5.131 1.00 0.46 N ATOM 834 CA LEU A 56 5.059 0.409 4.038 1.00 0.45 C ATOM 835 C LEU A 56 3.573 0.733 4.123 1.00 0.38 C ATOM 836 O LEU A 56 3.178 1.899 4.087 1.00 0.37 O ATOM 837 CB LEU A 56 5.372 -0.233 2.682 1.00 0.54 C ATOM 838 CG LEU A 56 6.852 -0.270 2.304 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.051 -1.044 1.012 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.411 1.141 2.173 1.00 0.85 C ATOM 0 H LEU A 56 5.826 -1.376 4.830 1.00 0.46 H new ATOM 0 HA LEU A 56 5.630 1.333 4.130 1.00 0.45 H new ATOM 0 HB2 LEU A 56 4.989 -1.253 2.684 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.829 0.309 1.908 1.00 0.54 H new ATOM 0 HG LEU A 56 7.396 -0.779 3.100 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.111 -1.061 0.757 1.00 0.86 H new ATOM 0 HD12 LEU A 56 6.693 -2.065 1.141 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.492 -0.562 0.209 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.466 1.091 1.903 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.864 1.679 1.399 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.304 1.664 3.123 1.00 0.85 H new ATOM 852 N LEU A 57 2.755 -0.307 4.254 1.00 0.37 N ATOM 853 CA LEU A 57 1.313 -0.135 4.350 1.00 0.36 C ATOM 854 C LEU A 57 0.950 0.641 5.613 1.00 0.34 C ATOM 855 O LEU A 57 0.098 1.528 5.582 1.00 0.37 O ATOM 856 CB LEU A 57 0.607 -1.495 4.345 1.00 0.43 C ATOM 857 CG LEU A 57 -0.913 -1.439 4.187 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.289 -0.991 2.783 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.525 -2.793 4.498 1.00 0.71 C ATOM 0 H LEU A 57 3.068 -1.277 4.296 1.00 0.37 H new ATOM 0 HA LEU A 57 0.979 0.434 3.482 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.019 -2.097 3.535 1.00 0.43 H new ATOM 0 HB3 LEU A 57 0.841 -2.011 5.276 1.00 0.43 H new ATOM 0 HG LEU A 57 -1.308 -0.710 4.894 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.375 -0.957 2.690 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.878 0.001 2.595 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.884 -1.695 2.056 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.607 -2.738 4.382 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -1.123 -3.540 3.813 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -1.284 -3.074 5.523 1.00 0.71 H new ATOM 871 N LYS A 58 1.620 0.313 6.714 1.00 0.36 N ATOM 872 CA LYS A 58 1.379 0.972 7.993 1.00 0.42 C ATOM 873 C LYS A 58 1.626 2.472 7.887 1.00 0.41 C ATOM 874 O LYS A 58 0.830 3.271 8.373 1.00 0.44 O ATOM 875 CB LYS A 58 2.282 0.374 9.074 1.00 0.50 C ATOM 876 CG LYS A 58 2.005 0.906 10.472 1.00 0.74 C ATOM 877 CD LYS A 58 2.993 0.355 11.487 1.00 1.10 C ATOM 878 CE LYS A 58 4.352 1.024 11.358 1.00 1.13 C ATOM 879 NZ LYS A 58 4.513 2.144 12.319 1.00 1.39 N ATOM 0 H LYS A 58 2.339 -0.410 6.745 1.00 0.36 H new ATOM 0 HA LYS A 58 0.336 0.811 8.266 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.160 -0.709 9.077 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.322 0.577 8.818 1.00 0.50 H new ATOM 0 HG2 LYS A 58 2.059 1.995 10.465 1.00 0.74 H new ATOM 0 HG3 LYS A 58 0.991 0.639 10.769 1.00 0.74 H new ATOM 0 HD2 LYS A 58 2.605 0.507 12.494 1.00 1.10 H new ATOM 0 HD3 LYS A 58 3.100 -0.720 11.346 1.00 1.10 H new ATOM 0 HE2 LYS A 58 5.137 0.286 11.526 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.478 1.397 10.342 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 5.417 2.626 12.142 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 3.731 2.819 12.199 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 4.504 1.772 13.290 1.00 1.39 H new ATOM 893 N ALA A 59 2.724 2.842 7.235 1.00 0.43 N ATOM 894 CA ALA A 59 3.079 4.248 7.061 1.00 0.48 C ATOM 895 C ALA A 59 1.998 4.996 6.289 1.00 0.44 C ATOM 896 O ALA A 59 1.711 6.160 6.575 1.00 0.47 O ATOM 897 CB ALA A 59 4.418 4.371 6.352 1.00 0.56 C ATOM 0 H ALA A 59 3.385 2.187 6.817 1.00 0.43 H new ATOM 0 HA ALA A 59 3.162 4.701 8.049 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.669 5.425 6.229 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.190 3.880 6.945 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.356 3.896 5.373 1.00 0.56 H new ATOM 903 N VAL A 60 1.404 4.325 5.310 1.00 0.39 N ATOM 904 CA VAL A 60 0.345 4.922 4.512 1.00 0.38 C ATOM 905 C VAL A 60 -0.915 5.090 5.358 1.00 0.37 C ATOM 906 O VAL A 60 -1.519 6.158 5.383 1.00 0.40 O ATOM 907 CB VAL A 60 0.020 4.066 3.267 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.130 4.668 2.470 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.253 3.906 2.386 1.00 0.41 C ATOM 0 H VAL A 60 1.639 3.367 5.051 1.00 0.39 H new ATOM 0 HA VAL A 60 0.696 5.897 4.173 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.289 3.080 3.613 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.336 4.044 1.600 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.020 4.720 3.098 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.859 5.671 2.141 1.00 0.44 H new ATOM 0 HG21 VAL A 60 1.002 3.300 1.515 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.596 4.887 2.058 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.044 3.416 2.953 1.00 0.41 H new ATOM 919 N VAL A 61 -1.281 4.030 6.070 1.00 0.36 N ATOM 920 CA VAL A 61 -2.466 4.040 6.925 1.00 0.40 C ATOM 921 C VAL A 61 -2.336 5.087 8.030 1.00 0.44 C ATOM 922 O VAL A 61 -3.271 5.848 8.295 1.00 0.49 O ATOM 923 CB VAL A 61 -2.707 2.651 7.552 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.901 2.674 8.491 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.907 1.599 6.470 1.00 0.43 C ATOM 0 H VAL A 61 -0.771 3.147 6.073 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.319 4.296 6.297 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.822 2.390 8.132 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -4.047 1.682 8.918 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.720 3.391 9.292 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.794 2.966 7.938 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -3.075 0.627 6.934 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.770 1.864 5.860 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -2.019 1.551 5.840 1.00 0.43 H new ATOM 935 N GLU A 62 -1.167 5.129 8.657 1.00 0.47 N ATOM 936 CA GLU A 62 -0.897 6.079 9.729 1.00 0.54 C ATOM 937 C GLU A 62 -1.069 7.515 9.240 1.00 0.55 C ATOM 938 O GLU A 62 -1.754 8.323 9.872 1.00 0.61 O ATOM 939 CB GLU A 62 0.521 5.878 10.269 1.00 0.61 C ATOM 940 CG GLU A 62 0.608 4.874 11.407 1.00 1.05 C ATOM 941 CD GLU A 62 1.969 4.875 12.075 1.00 1.17 C ATOM 942 OE1 GLU A 62 2.568 5.960 12.215 1.00 1.53 O ATOM 943 OE2 GLU A 62 2.458 3.787 12.445 1.00 1.76 O ATOM 0 H GLU A 62 -0.385 4.511 8.439 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.614 5.899 10.530 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.166 5.547 9.455 1.00 0.61 H new ATOM 0 HB3 GLU A 62 0.908 6.837 10.613 1.00 0.61 H new ATOM 0 HG2 GLU A 62 -0.158 5.102 12.148 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.395 3.876 11.025 1.00 1.05 H new ATOM 950 N HIS A 63 -0.463 7.817 8.098 1.00 0.54 N ATOM 951 CA HIS A 63 -0.540 9.150 7.519 1.00 0.61 C ATOM 952 C HIS A 63 -1.951 9.452 7.026 1.00 0.61 C ATOM 953 O HIS A 63 -2.390 10.605 7.041 1.00 0.69 O ATOM 954 CB HIS A 63 0.464 9.287 6.375 1.00 0.67 C ATOM 955 CG HIS A 63 0.746 10.706 5.998 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.933 11.704 6.925 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.867 11.293 4.785 1.00 0.97 C ATOM 958 CE1 HIS A 63 1.157 12.844 6.302 1.00 0.97 C ATOM 959 NE2 HIS A 63 1.122 12.624 5.002 1.00 1.04 N ATOM 0 H HIS A 63 0.089 7.153 7.554 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.292 9.874 8.295 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.398 8.803 6.661 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.084 8.756 5.502 1.00 0.67 H new ATOM 0 HD1 HIS A 63 0.903 11.581 7.937 1.00 0.85 H new ATOM 0 HD2 HIS A 63 0.779 10.805 3.825 1.00 0.97 H new ATOM 0 HE1 HIS A 63 1.339 13.797 6.776 1.00 0.97 H new ATOM 968 N ALA A 64 -2.655 8.415 6.594 1.00 0.56 N ATOM 969 CA ALA A 64 -4.016 8.568 6.106 1.00 0.62 C ATOM 970 C ALA A 64 -4.937 9.014 7.230 1.00 0.70 C ATOM 971 O ALA A 64 -5.736 9.925 7.057 1.00 0.85 O ATOM 972 CB ALA A 64 -4.515 7.269 5.488 1.00 0.61 C ATOM 0 H ALA A 64 -2.304 7.457 6.572 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.019 9.336 5.333 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.535 7.405 5.129 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.871 6.992 4.654 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.497 6.479 6.238 1.00 0.61 H new ATOM 978 N ARG A 65 -4.795 8.388 8.392 1.00 0.69 N ATOM 979 CA ARG A 65 -5.616 8.721 9.549 1.00 0.82 C ATOM 980 C ARG A 65 -5.373 10.165 9.987 1.00 0.85 C ATOM 981 O ARG A 65 -6.293 10.850 10.432 1.00 0.96 O ATOM 982 CB ARG A 65 -5.325 7.765 10.712 1.00 0.89 C ATOM 983 CG ARG A 65 -6.287 7.917 11.880 1.00 1.36 C ATOM 984 CD ARG A 65 -7.653 7.336 11.557 1.00 1.44 C ATOM 985 NE ARG A 65 -8.705 7.881 12.411 1.00 2.20 N ATOM 986 CZ ARG A 65 -9.824 7.226 12.731 1.00 2.25 C ATOM 987 NH1 ARG A 65 -9.994 5.964 12.359 1.00 1.87 N ATOM 988 NH2 ARG A 65 -10.760 7.827 13.451 1.00 3.12 N ATOM 0 H ARG A 65 -4.117 7.645 8.558 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.662 8.615 9.261 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -5.369 6.739 10.347 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.308 7.935 11.065 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.877 7.418 12.758 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -6.390 8.972 12.133 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -7.894 7.539 10.514 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -7.620 6.253 11.671 1.00 1.44 H new ATOM 0 HE ARG A 65 -8.577 8.821 12.787 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -9.267 5.487 11.825 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -10.851 5.470 12.607 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -10.626 8.790 13.761 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -11.615 7.327 13.696 1.00 3.12 H new ATOM 1002 N GLU A 66 -4.131 10.623 9.844 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.763 11.982 10.232 1.00 0.88 C ATOM 1004 C GLU A 66 -4.505 13.027 9.406 1.00 0.89 C ATOM 1005 O GLU A 66 -5.073 13.971 9.950 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.261 12.205 10.066 1.00 0.90 C ATOM 1007 CG GLU A 66 -1.399 11.241 10.859 1.00 1.05 C ATOM 1008 CD GLU A 66 0.077 11.506 10.668 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.563 11.383 9.528 1.00 1.82 O ATOM 1010 OE2 GLU A 66 0.763 11.833 11.659 1.00 1.38 O ATOM 0 H GLU A 66 -3.362 10.072 9.462 1.00 0.79 H new ATOM 0 HA GLU A 66 -4.043 12.095 11.279 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -2.006 12.118 9.010 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -2.020 13.224 10.369 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -1.647 11.321 11.917 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.625 10.219 10.555 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.515 12.847 8.092 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.164 13.808 7.207 1.00 0.87 C ATOM 1019 C ASN A 67 -6.591 13.404 6.868 1.00 0.89 C ATOM 1020 O ASN A 67 -7.204 13.991 5.976 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.343 14.003 5.930 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.270 15.060 6.106 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.535 16.259 5.980 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.052 14.631 6.396 1.00 1.09 N ATOM 0 H ASN A 67 -4.086 12.053 7.618 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.215 14.756 7.743 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -3.879 13.058 5.648 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.005 14.289 5.113 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.293 15.300 6.524 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -1.873 13.631 6.492 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.111 12.407 7.579 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.481 11.936 7.373 1.00 0.94 C ATOM 1033 C ASN A 68 -8.694 11.449 5.935 1.00 0.87 C ATOM 1034 O ASN A 68 -9.762 11.641 5.341 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.466 13.060 7.718 1.00 1.10 C ATOM 1036 CG ASN A 68 -10.891 12.576 7.892 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -11.135 11.416 8.227 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.843 13.466 7.671 1.00 2.18 N ATOM 0 H ASN A 68 -6.602 11.906 8.307 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.660 11.087 8.032 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.141 13.549 8.636 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.439 13.812 6.930 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.823 13.202 7.777 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -11.598 14.417 7.395 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.678 10.801 5.388 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.730 10.289 4.029 1.00 0.73 C ATOM 1047 C LEU A 69 -8.442 8.945 3.989 1.00 0.70 C ATOM 1048 O LEU A 69 -8.542 8.249 5.002 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.315 10.140 3.456 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.430 11.389 3.540 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.034 11.086 3.012 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.047 12.541 2.762 1.00 0.77 C ATOM 0 H LEU A 69 -6.799 10.616 5.871 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.287 11.002 3.421 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.814 9.326 3.980 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.395 9.844 2.410 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.354 11.683 4.587 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.417 11.982 3.078 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.584 10.292 3.608 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.100 10.767 1.972 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.402 13.417 2.836 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.155 12.257 1.715 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.027 12.777 3.177 1.00 0.77 H new ATOM 1064 N LYS A 70 -8.947 8.598 2.819 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.638 7.339 2.620 1.00 0.70 C ATOM 1066 C LYS A 70 -8.748 6.412 1.809 1.00 0.62 C ATOM 1067 O LYS A 70 -8.200 6.813 0.781 1.00 0.60 O ATOM 1068 CB LYS A 70 -10.978 7.555 1.905 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.094 8.058 2.812 1.00 0.80 C ATOM 1070 CD LYS A 70 -11.907 9.521 3.186 1.00 1.70 C ATOM 1071 CE LYS A 70 -12.908 9.951 4.242 1.00 1.93 C ATOM 1072 NZ LYS A 70 -12.488 11.195 4.937 1.00 3.05 N ATOM 0 H LYS A 70 -8.890 9.180 1.983 1.00 0.72 H new ATOM 0 HA LYS A 70 -9.850 6.890 3.590 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -10.834 8.269 1.094 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.290 6.615 1.450 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.054 7.931 2.311 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.125 7.453 3.718 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -10.894 9.677 3.557 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -12.021 10.143 2.298 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.881 10.107 3.776 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.029 9.151 4.973 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -13.026 11.297 5.821 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -11.472 11.146 5.153 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -12.672 12.014 4.323 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.594 5.184 2.271 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.741 4.227 1.591 1.00 0.57 C ATOM 1088 C ILE A 71 -8.538 3.209 0.789 1.00 0.56 C ATOM 1089 O ILE A 71 -9.479 2.584 1.289 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.815 3.496 2.587 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.817 4.485 3.192 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.081 2.344 1.906 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.806 3.838 4.114 1.00 0.86 C ATOM 0 H ILE A 71 -9.047 4.827 3.112 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.132 4.802 0.893 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.427 3.077 3.385 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.288 4.993 2.386 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.364 5.248 3.745 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.435 1.846 2.629 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.807 1.631 1.515 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.476 2.732 1.086 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.131 4.599 4.506 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.325 3.353 4.941 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.232 3.095 3.560 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.151 3.079 -0.467 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.743 2.129 -1.388 1.00 0.54 C ATOM 1107 C ILE A 72 -7.613 1.433 -2.125 1.00 0.50 C ATOM 1108 O ILE A 72 -6.592 2.056 -2.416 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.695 2.798 -2.404 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.260 4.240 -2.695 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.126 2.760 -1.890 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.065 4.910 -3.788 1.00 0.99 C ATOM 0 H ILE A 72 -7.406 3.639 -0.881 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.345 1.422 -0.818 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.647 2.239 -3.339 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.346 4.827 -1.781 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.207 4.242 -2.978 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.786 3.235 -2.616 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.433 1.724 -1.744 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.186 3.294 -0.941 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.700 5.926 -3.938 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -9.960 4.346 -4.715 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.116 4.941 -3.499 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.757 0.156 -2.417 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.684 -0.552 -3.087 1.00 0.43 C ATOM 1126 C ALA A 73 -7.175 -1.450 -4.206 1.00 0.43 C ATOM 1127 O ALA A 73 -8.047 -2.300 -4.005 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.891 -1.366 -2.081 1.00 0.50 C ATOM 0 H ALA A 73 -8.585 -0.402 -2.208 1.00 0.44 H new ATOM 0 HA ALA A 73 -6.045 0.204 -3.544 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -5.087 -1.894 -2.593 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.467 -0.701 -1.329 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.549 -2.088 -1.597 1.00 0.50 H new ATOM 1134 N SER A 74 -6.617 -1.245 -5.387 1.00 0.48 N ATOM 1135 CA SER A 74 -6.932 -2.069 -6.539 1.00 0.53 C ATOM 1136 C SER A 74 -5.980 -3.258 -6.533 1.00 0.46 C ATOM 1137 O SER A 74 -6.228 -4.291 -7.154 1.00 0.55 O ATOM 1138 CB SER A 74 -6.775 -1.265 -7.832 1.00 0.69 C ATOM 1139 OG SER A 74 -7.393 0.008 -7.726 1.00 0.94 O ATOM 0 H SER A 74 -5.937 -0.507 -5.573 1.00 0.48 H new ATOM 0 HA SER A 74 -7.966 -2.411 -6.488 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.716 -1.140 -8.059 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.215 -1.817 -8.662 1.00 0.69 H new ATOM 0 HG SER A 74 -7.101 0.446 -6.899 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.889 -3.084 -5.794 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.861 -4.099 -5.646 1.00 0.48 C ATOM 1147 C CYS A 75 -4.380 -5.262 -4.814 1.00 0.45 C ATOM 1148 O CYS A 75 -4.688 -5.095 -3.633 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.636 -3.483 -4.967 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.334 -4.659 -4.545 1.00 1.31 S ATOM 0 H CYS A 75 -4.695 -2.226 -5.278 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.585 -4.473 -6.632 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.218 -2.721 -5.625 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -2.958 -2.977 -4.057 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.237 -4.332 -5.161 1.00 1.31 H new ATOM 1156 N SER A 76 -4.469 -6.435 -5.429 1.00 0.57 N ATOM 1157 CA SER A 76 -4.948 -7.631 -4.746 1.00 0.64 C ATOM 1158 C SER A 76 -4.069 -7.965 -3.539 1.00 0.61 C ATOM 1159 O SER A 76 -4.534 -8.563 -2.566 1.00 0.61 O ATOM 1160 CB SER A 76 -4.969 -8.809 -5.722 1.00 0.82 C ATOM 1161 OG SER A 76 -5.541 -8.426 -6.964 1.00 1.12 O ATOM 0 H SER A 76 -4.214 -6.584 -6.405 1.00 0.57 H new ATOM 0 HA SER A 76 -5.959 -7.440 -4.385 1.00 0.64 H new ATOM 0 HB2 SER A 76 -3.954 -9.173 -5.881 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.539 -9.633 -5.293 1.00 0.82 H new ATOM 0 HG SER A 76 -5.543 -9.193 -7.574 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.805 -7.567 -3.608 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.861 -7.822 -2.532 1.00 0.62 C ATOM 1169 C PHE A 77 -2.133 -6.906 -1.339 1.00 0.55 C ATOM 1170 O PHE A 77 -2.421 -7.376 -0.240 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.426 -7.634 -3.036 1.00 0.68 C ATOM 1172 CG PHE A 77 0.623 -7.873 -1.989 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.846 -9.149 -1.494 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.387 -6.826 -1.501 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.810 -9.373 -0.532 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.352 -7.045 -0.540 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.561 -8.308 -0.048 1.00 0.95 C ATOM 0 H PHE A 77 -2.410 -7.064 -4.403 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.986 -8.853 -2.201 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.253 -8.313 -3.871 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.317 -6.620 -3.421 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.259 -9.976 -1.865 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.225 -5.827 -1.877 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.980 -10.371 -0.157 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.945 -6.220 -0.174 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.308 -8.475 0.714 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.058 -5.599 -1.576 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.283 -4.605 -0.530 1.00 0.46 C ATOM 1189 C ALA A 78 -3.683 -4.729 0.063 1.00 0.44 C ATOM 1190 O ALA A 78 -3.872 -4.550 1.266 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.063 -3.203 -1.079 1.00 0.47 C ATOM 0 H ALA A 78 -1.842 -5.201 -2.490 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.565 -4.790 0.269 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.234 -2.472 -0.289 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.040 -3.111 -1.443 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.758 -3.020 -1.899 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.659 -5.035 -0.787 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.040 -5.189 -0.343 1.00 0.47 C ATOM 1199 C LYS A 79 -6.142 -6.298 0.694 1.00 0.52 C ATOM 1200 O LYS A 79 -6.754 -6.122 1.745 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.957 -5.495 -1.533 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.419 -5.684 -1.153 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.291 -5.863 -2.382 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.738 -6.136 -2.003 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.939 -7.519 -1.503 1.00 1.27 N ATOM 0 H LYS A 79 -4.519 -5.181 -1.787 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.361 -4.252 0.112 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.882 -4.682 -2.255 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.602 -6.397 -2.030 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.518 -6.554 -0.504 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.763 -4.821 -0.583 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.239 -4.967 -3.000 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.909 -6.688 -2.983 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -11.051 -5.426 -1.237 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.376 -5.970 -2.871 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -11.784 -7.550 -0.897 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -11.067 -8.164 -2.309 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.107 -7.814 -0.953 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.512 -7.434 0.405 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.541 -8.574 1.314 1.00 0.64 C ATOM 1221 C HIS A 80 -4.839 -8.246 2.627 1.00 0.60 C ATOM 1222 O HIS A 80 -5.199 -8.766 3.684 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.891 -9.794 0.662 1.00 0.77 C ATOM 1224 CG HIS A 80 -5.008 -11.037 1.488 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -6.213 -11.518 1.947 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -4.062 -11.895 1.936 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -6.007 -12.619 2.645 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -4.710 -12.868 2.652 1.00 1.13 N ATOM 0 H HIS A 80 -4.977 -7.588 -0.450 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.584 -8.803 1.531 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.352 -9.967 -0.310 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.837 -9.583 0.482 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -7.123 -11.090 1.775 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -2.998 -11.826 1.762 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -6.768 -13.214 3.128 1.00 1.21 H new ATOM 1237 N MET A 81 -3.833 -7.387 2.555 1.00 0.58 N ATOM 1238 CA MET A 81 -3.092 -6.982 3.739 1.00 0.59 C ATOM 1239 C MET A 81 -3.995 -6.161 4.652 1.00 0.54 C ATOM 1240 O MET A 81 -3.935 -6.274 5.880 1.00 0.58 O ATOM 1241 CB MET A 81 -1.853 -6.176 3.347 1.00 0.64 C ATOM 1242 CG MET A 81 -0.847 -6.969 2.527 1.00 1.25 C ATOM 1243 SD MET A 81 0.738 -6.128 2.364 1.00 1.51 S ATOM 1244 CE MET A 81 1.123 -5.814 4.082 1.00 1.09 C ATOM 0 H MET A 81 -3.511 -6.957 1.688 1.00 0.58 H new ATOM 0 HA MET A 81 -2.762 -7.873 4.273 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.164 -5.300 2.777 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.366 -5.811 4.251 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.691 -7.942 2.994 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.259 -7.154 1.535 1.00 1.25 H new ATOM 0 HE1 MET A 81 2.186 -5.983 4.253 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.876 -4.781 4.327 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.542 -6.486 4.714 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.844 -5.348 4.034 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.786 -4.518 4.765 1.00 0.51 C ATOM 1256 C LEU A 82 -6.890 -5.385 5.364 1.00 0.56 C ATOM 1257 O LEU A 82 -7.418 -5.083 6.433 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.381 -3.452 3.843 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.380 -2.412 3.332 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.887 -1.758 2.058 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -5.119 -1.362 4.398 1.00 0.49 C ATOM 0 H LEU A 82 -4.897 -5.248 3.020 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.259 -4.015 5.576 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.838 -3.947 2.986 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.179 -2.936 4.376 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.443 -2.921 3.106 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.160 -1.023 1.712 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.027 -2.518 1.290 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.838 -1.263 2.257 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.406 -0.630 4.020 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -6.053 -0.861 4.652 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.711 -1.841 5.288 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.231 -6.466 4.660 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.250 -7.403 5.129 1.00 0.70 C ATOM 1275 C GLU A 83 -7.758 -8.116 6.385 1.00 0.68 C ATOM 1276 O GLU A 83 -8.528 -8.397 7.309 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.573 -8.449 4.052 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.069 -7.867 2.736 1.00 1.15 C ATOM 1279 CD GLU A 83 -8.970 -8.859 1.591 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -8.371 -9.942 1.775 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -9.497 -8.563 0.495 1.00 1.45 O ATOM 0 H GLU A 83 -6.815 -6.713 3.762 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.154 -6.836 5.351 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -7.679 -9.041 3.859 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.329 -9.131 4.441 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.106 -7.550 2.850 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -8.488 -6.977 2.493 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.461 -8.399 6.401 1.00 0.67 N ATOM 1289 CA LYS A 84 -5.825 -9.078 7.521 1.00 0.69 C ATOM 1290 C LYS A 84 -5.756 -8.172 8.741 1.00 0.68 C ATOM 1291 O LYS A 84 -6.143 -8.564 9.842 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.410 -9.512 7.143 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.309 -10.945 6.659 1.00 0.99 C ATOM 1294 CD LYS A 84 -2.969 -11.556 7.039 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.927 -11.924 8.516 1.00 1.94 C ATOM 1296 NZ LYS A 84 -1.548 -12.227 8.977 1.00 2.33 N ATOM 0 H LYS A 84 -5.823 -8.165 5.640 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.427 -9.954 7.763 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -4.035 -8.849 6.363 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -3.760 -9.386 8.009 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -5.117 -11.536 7.090 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.433 -10.977 5.577 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.788 -12.445 6.435 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.169 -10.851 6.815 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -3.334 -11.102 9.106 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -3.566 -12.789 8.692 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -1.566 -12.472 9.987 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -1.168 -13.028 8.433 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -0.943 -11.393 8.834 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.259 -6.962 8.542 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.129 -6.012 9.630 1.00 0.96 C ATOM 1312 C GLU A 85 -6.426 -5.243 9.833 1.00 0.93 C ATOM 1313 O GLU A 85 -6.676 -4.233 9.174 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.978 -5.041 9.362 1.00 1.07 C ATOM 1315 CG GLU A 85 -2.866 -5.118 10.393 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.086 -6.417 10.327 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -1.118 -6.497 9.544 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -2.443 -7.365 11.056 1.00 1.60 O ATOM 0 H GLU A 85 -4.940 -6.616 7.637 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.911 -6.570 10.541 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.562 -5.246 8.375 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.370 -4.024 9.337 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.182 -4.282 10.245 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -3.294 -5.008 11.390 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.250 -5.729 10.753 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.530 -5.094 11.056 1.00 1.10 C ATOM 1327 C ASP A 86 -8.318 -3.668 11.550 1.00 1.02 C ATOM 1328 O ASP A 86 -9.181 -2.806 11.393 1.00 0.99 O ATOM 1329 CB ASP A 86 -9.291 -5.905 12.108 1.00 1.36 C ATOM 1330 CG ASP A 86 -10.667 -5.340 12.398 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -11.624 -5.695 11.679 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -10.797 -4.531 13.341 1.00 2.27 O ATOM 0 H ASP A 86 -7.055 -6.564 11.305 1.00 1.07 H new ATOM 0 HA ASP A 86 -9.120 -5.061 10.140 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -9.390 -6.935 11.765 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -8.711 -5.931 13.031 1.00 1.36 H new ATOM 1337 N SER A 87 -7.152 -3.426 12.128 1.00 1.05 N ATOM 1338 CA SER A 87 -6.797 -2.117 12.648 1.00 1.08 C ATOM 1339 C SER A 87 -6.719 -1.070 11.536 1.00 0.93 C ATOM 1340 O SER A 87 -6.920 0.119 11.780 1.00 0.97 O ATOM 1341 CB SER A 87 -5.455 -2.218 13.361 1.00 1.27 C ATOM 1342 OG SER A 87 -4.804 -3.435 13.026 1.00 1.46 O ATOM 0 H SER A 87 -6.426 -4.132 12.249 1.00 1.05 H new ATOM 0 HA SER A 87 -7.573 -1.798 13.344 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.825 -1.373 13.083 1.00 1.27 H new ATOM 0 HB3 SER A 87 -5.604 -2.164 14.439 1.00 1.27 H new ATOM 0 HG SER A 87 -3.943 -3.484 13.491 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.458 -1.518 10.312 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.338 -0.610 9.173 1.00 0.88 C ATOM 1350 C TYR A 88 -7.683 -0.408 8.486 1.00 0.89 C ATOM 1351 O TYR A 88 -7.816 0.422 7.585 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.327 -1.155 8.159 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.908 -1.277 8.681 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.553 -0.707 9.897 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.925 -1.956 7.968 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.265 -0.806 10.386 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.636 -2.059 8.450 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.301 -1.522 9.618 1.00 0.93 C ATOM 1359 OH TYR A 88 -0.028 -1.581 10.136 1.00 1.00 O ATOM 0 H TYR A 88 -6.325 -2.503 10.082 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.991 0.351 9.552 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.662 -2.137 7.824 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.323 -0.504 7.285 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.298 -0.176 10.471 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.175 -2.410 7.021 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.995 -0.352 11.328 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.890 -2.583 7.870 1.00 0.97 H new ATOM 0 HH TYR A 88 0.548 -2.094 9.531 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.688 -1.154 8.923 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.020 -1.051 8.340 1.00 1.18 C ATOM 1371 C GLN A 89 -10.795 0.122 8.936 1.00 1.16 C ATOM 1372 O GLN A 89 -12.016 0.073 9.080 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.784 -2.363 8.522 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.672 -3.287 7.318 1.00 1.61 C ATOM 1375 CD GLN A 89 -10.918 -4.741 7.662 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -12.060 -5.203 7.692 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -9.846 -5.477 7.902 1.00 2.33 N ATOM 0 H GLN A 89 -8.608 -1.836 9.677 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.910 -0.862 7.272 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.406 -2.878 9.405 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.835 -2.142 8.708 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -11.388 -2.973 6.558 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.679 -3.186 6.881 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -8.919 -5.054 7.867 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -9.947 -6.468 8.122 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.067 1.171 9.286 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.657 2.380 9.832 1.00 1.17 C ATOM 1388 C ASP A 90 -10.624 3.470 8.767 1.00 1.09 C ATOM 1389 O ASP A 90 -11.594 4.205 8.578 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.912 2.829 11.096 1.00 1.18 C ATOM 1391 CG ASP A 90 -8.487 3.279 10.823 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -7.745 2.520 10.170 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -8.108 4.384 11.262 1.00 2.03 O ATOM 0 H ASP A 90 -9.051 1.207 9.199 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.691 2.182 10.116 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -10.461 3.647 11.562 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.896 2.007 11.812 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.498 3.566 8.070 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.338 4.536 6.998 1.00 0.79 C ATOM 1400 C VAL A 91 -9.571 3.857 5.656 1.00 0.73 C ATOM 1401 O VAL A 91 -9.869 4.505 4.652 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.943 5.195 7.006 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.852 6.230 8.113 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.849 4.150 7.159 1.00 0.78 C ATOM 0 H VAL A 91 -8.679 2.980 8.231 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.074 5.324 7.158 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.798 5.697 6.049 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.862 6.685 8.105 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.607 7.000 7.954 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -8.022 5.749 9.076 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.875 4.640 7.162 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.988 3.613 8.097 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.899 3.447 6.328 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.423 2.539 5.652 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.631 1.746 4.458 1.00 0.71 C ATOM 1416 C TYR A 92 -11.112 1.417 4.328 1.00 0.80 C ATOM 1417 O TYR A 92 -11.762 1.061 5.312 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.788 0.463 4.523 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.195 -0.612 3.537 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.199 -0.367 2.170 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.578 -1.874 3.978 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.570 -1.345 1.272 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.951 -2.859 3.084 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.947 -2.588 1.732 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.320 -3.561 0.838 1.00 1.14 O ATOM 0 H TYR A 92 -9.157 1.996 6.474 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.316 2.311 3.581 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.744 0.721 4.348 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.850 0.054 5.532 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.907 0.606 1.804 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.584 -2.088 5.037 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.565 -1.138 0.212 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.244 -3.835 3.442 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.555 -4.379 1.324 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.642 1.546 3.119 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.052 1.274 2.868 1.00 0.84 C ATOM 1437 C LEU A 93 -13.333 -0.226 2.820 1.00 1.05 C ATOM 1438 O LEU A 93 -13.819 -0.754 1.818 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.510 1.942 1.568 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.383 3.468 1.539 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.958 4.022 0.247 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -14.084 4.091 2.738 1.00 1.42 C ATOM 0 H LEU A 93 -11.116 1.838 2.295 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.619 1.696 3.698 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.930 1.529 0.742 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.552 1.677 1.389 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.325 3.723 1.590 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.860 5.108 0.241 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.415 3.604 -0.601 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -15.011 3.752 0.172 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.981 5.175 2.697 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -15.141 3.826 2.720 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.633 3.718 3.657 1.00 1.42 H new