USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0.366 K(o=0.37,f=-1.4) USER MOD Set 2.1: A 15 TYR OH : rot 130:sc= 0.376 USER MOD Set 2.2: A 17 ASN : amide:sc= 0.418 X(o=0.79,f=0.57) USER MOD Set 3.1: A 11 ASN : amide:sc= 0.755 K(o=1.4,f=-4.3!) USER MOD Set 3.2: A 12 CYS SG : rot 32:sc= 0.65 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc=-0.00808 (180deg=-0.106) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -100:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 28 HIS : no HE2:sc= -1.24 X(o=-1.2,f=-1.6) USER MOD Single : A 30 MET CE :methyl 148:sc= -0.442 (180deg=-2.27!) USER MOD Single : A 34 HIS : no HE2:sc= -3.2! C(o=-3.2!,f=-6!) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00752) USER MOD Single : A 40 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.43) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0265 K(o=0.027,f=-0.95) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0817) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 0.07 (180deg=-0.16) USER MOD Single : A 66 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.5) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= 0.688 (180deg=0.514) USER MOD Single : A 71 SER OG : rot -112:sc= 0.111 USER MOD Single : A 78 SER OG : rot -96:sc= 0.53 USER MOD Single : A 80 LYS NZ :NH3+ -121:sc= 0.576 (180deg=-1.77!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 90 TYR OH : rot 150:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.103 USER MOD Single : A 93 THR OG1 : rot 123:sc= 0.291 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.313 -13.843 4.712 1.00 0.00 N ATOM 84 CA LYS A 7 -2.389 -12.877 4.381 1.00 0.00 C ATOM 85 C LYS A 7 -3.807 -13.452 4.672 1.00 0.00 C ATOM 86 O LYS A 7 -4.764 -13.214 3.926 1.00 0.00 O ATOM 87 CB LYS A 7 -2.227 -12.431 2.900 1.00 0.00 C ATOM 88 CG LYS A 7 -2.348 -13.569 1.862 1.00 0.00 C ATOM 89 CD LYS A 7 -2.335 -13.048 0.409 1.00 0.00 C ATOM 90 CE LYS A 7 -2.529 -14.175 -0.620 1.00 0.00 C ATOM 91 NZ LYS A 7 -2.574 -13.641 -2.006 1.00 0.00 N ATOM 0 HA LYS A 7 -2.293 -12.004 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.981 -11.675 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.254 -11.954 2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.526 -14.271 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.271 -14.121 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.124 -12.306 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.389 -12.542 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.715 -14.895 -0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.453 -14.711 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.706 -14.425 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.366 -12.973 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.682 -13.150 -2.218 1.00 0.00 H new ATOM 105 N ILE A 8 -3.910 -14.205 5.773 1.00 0.00 N ATOM 106 CA ILE A 8 -5.124 -14.952 6.205 1.00 0.00 C ATOM 107 C ILE A 8 -6.396 -14.070 6.260 1.00 0.00 C ATOM 108 O ILE A 8 -7.507 -14.539 5.984 1.00 0.00 O ATOM 109 CB ILE A 8 -4.870 -15.556 7.636 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.524 -16.347 7.671 1.00 0.00 C ATOM 111 CG2 ILE A 8 -6.052 -16.444 8.115 1.00 0.00 C ATOM 112 CD1 ILE A 8 -3.094 -16.797 9.051 1.00 0.00 C ATOM 0 H ILE A 8 -3.129 -14.323 6.419 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.300 -15.731 5.463 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.798 -14.721 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.616 -17.223 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.739 -15.722 7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.832 -16.839 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.963 -15.846 8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.192 -17.271 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.150 -17.338 8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.966 -15.926 9.694 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.856 -17.451 9.474 1.00 0.00 H new ATOM 124 N PHE A 9 -6.219 -12.794 6.637 1.00 0.00 N ATOM 125 CA PHE A 9 -7.332 -11.846 6.854 1.00 0.00 C ATOM 126 C PHE A 9 -7.293 -10.701 5.814 1.00 0.00 C ATOM 127 O PHE A 9 -7.966 -9.687 5.996 1.00 0.00 O ATOM 128 CB PHE A 9 -7.253 -11.282 8.306 1.00 0.00 C ATOM 129 CG PHE A 9 -7.212 -12.354 9.403 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.363 -13.041 9.784 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.017 -12.678 10.044 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.315 -14.014 10.768 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.972 -13.650 11.024 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.122 -14.315 11.386 1.00 0.00 C ATOM 0 H PHE A 9 -5.299 -12.386 6.801 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.278 -12.371 6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.364 -10.658 8.392 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.114 -10.636 8.479 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.304 -12.812 9.306 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.110 -12.160 9.769 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.216 -14.538 11.051 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.035 -13.888 11.506 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.088 -15.073 12.155 1.00 0.00 H new ATOM 144 N LYS A 10 -6.535 -10.900 4.708 1.00 0.00 N ATOM 145 CA LYS A 10 -6.206 -9.837 3.711 1.00 0.00 C ATOM 146 C LYS A 10 -7.462 -9.135 3.143 1.00 0.00 C ATOM 147 O LYS A 10 -7.494 -7.907 3.004 1.00 0.00 O ATOM 148 CB LYS A 10 -5.381 -10.430 2.533 1.00 0.00 C ATOM 149 CG LYS A 10 -4.694 -9.379 1.625 1.00 0.00 C ATOM 150 CD LYS A 10 -3.591 -8.590 2.374 1.00 0.00 C ATOM 151 CE LYS A 10 -2.946 -7.494 1.513 1.00 0.00 C ATOM 152 NZ LYS A 10 -3.927 -6.465 1.084 1.00 0.00 N ATOM 0 H LYS A 10 -6.129 -11.807 4.476 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.619 -9.090 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.617 -11.092 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.040 -11.044 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.257 -9.878 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.443 -8.683 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.020 -8.137 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.819 -9.284 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.145 -7.016 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.490 -7.947 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.425 -5.671 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.591 -6.882 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.453 -6.120 1.912 1.00 0.00 H new ATOM 166 N ASN A 11 -8.484 -9.937 2.808 1.00 0.00 N ATOM 167 CA ASN A 11 -9.759 -9.438 2.230 1.00 0.00 C ATOM 168 C ASN A 11 -10.885 -9.414 3.287 1.00 0.00 C ATOM 169 O ASN A 11 -12.047 -9.130 2.970 1.00 0.00 O ATOM 170 CB ASN A 11 -10.171 -10.318 1.013 1.00 0.00 C ATOM 171 CG ASN A 11 -10.530 -11.769 1.378 1.00 0.00 C ATOM 172 OD1 ASN A 11 -9.958 -12.355 2.299 1.00 0.00 O ATOM 173 ND2 ASN A 11 -11.489 -12.352 0.667 1.00 0.00 N ATOM 0 H ASN A 11 -8.458 -10.950 2.927 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.602 -8.414 1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.026 -9.857 0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.353 -10.328 0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.770 -13.310 0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.945 -11.842 -0.090 1.00 0.00 H new ATOM 180 N CYS A 12 -10.517 -9.687 4.546 1.00 0.00 N ATOM 181 CA CYS A 12 -11.469 -9.860 5.651 1.00 0.00 C ATOM 182 C CYS A 12 -11.417 -8.661 6.629 1.00 0.00 C ATOM 183 O CYS A 12 -10.363 -8.358 7.209 1.00 0.00 O ATOM 184 CB CYS A 12 -11.136 -11.180 6.394 1.00 0.00 C ATOM 185 SG CYS A 12 -11.009 -12.633 5.323 1.00 0.00 S ATOM 0 H CYS A 12 -9.543 -9.795 4.828 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.480 -9.906 5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.194 -11.054 6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -11.905 -11.364 7.144 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.566 -12.274 4.155 1.00 0.00 H new ATOM 191 N VAL A 13 -12.558 -7.959 6.764 1.00 0.00 N ATOM 192 CA VAL A 13 -12.807 -7.013 7.870 1.00 0.00 C ATOM 193 C VAL A 13 -13.457 -7.793 9.033 1.00 0.00 C ATOM 194 O VAL A 13 -14.472 -8.479 8.830 1.00 0.00 O ATOM 195 CB VAL A 13 -13.752 -5.825 7.440 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.017 -4.845 8.616 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.179 -5.070 6.219 1.00 0.00 C ATOM 0 H VAL A 13 -13.336 -8.032 6.108 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.856 -6.574 8.170 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.708 -6.263 7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.672 -4.041 8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.494 -5.382 9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.072 -4.424 8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.852 -4.257 5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.200 -4.662 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.081 -5.758 5.379 1.00 0.00 H new ATOM 207 N ILE A 14 -12.858 -7.715 10.236 1.00 0.00 N ATOM 208 CA ILE A 14 -13.357 -8.429 11.427 1.00 0.00 C ATOM 209 C ILE A 14 -13.777 -7.434 12.540 1.00 0.00 C ATOM 210 O ILE A 14 -12.995 -6.587 12.967 1.00 0.00 O ATOM 211 CB ILE A 14 -12.297 -9.452 12.011 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.972 -10.635 11.022 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.748 -10.013 13.378 1.00 0.00 C ATOM 214 CD1 ILE A 14 -10.983 -10.314 9.925 1.00 0.00 C ATOM 0 H ILE A 14 -12.020 -7.159 10.410 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.227 -8.996 11.097 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.378 -8.882 12.147 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.586 -11.474 11.601 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.903 -10.967 10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.998 -10.711 13.750 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.864 -9.193 14.087 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.700 -10.531 13.263 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.831 -11.196 9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.370 -9.500 9.313 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.033 -10.015 10.368 1.00 0.00 H new ATOM 226 N TYR A 15 -15.010 -7.599 13.023 1.00 0.00 N ATOM 227 CA TYR A 15 -15.536 -6.931 14.220 1.00 0.00 C ATOM 228 C TYR A 15 -15.544 -7.951 15.362 1.00 0.00 C ATOM 229 O TYR A 15 -15.622 -9.142 15.113 1.00 0.00 O ATOM 230 CB TYR A 15 -16.971 -6.399 13.928 1.00 0.00 C ATOM 231 CG TYR A 15 -17.786 -5.967 15.162 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.319 -4.983 16.031 1.00 0.00 C ATOM 233 CD2 TYR A 15 -19.015 -6.567 15.467 1.00 0.00 C ATOM 234 CE1 TYR A 15 -18.040 -4.618 17.149 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.736 -6.203 16.587 1.00 0.00 C ATOM 236 CZ TYR A 15 -19.245 -5.229 17.424 1.00 0.00 C ATOM 237 OH TYR A 15 -19.953 -4.882 18.555 1.00 0.00 O ATOM 0 H TYR A 15 -15.691 -8.217 12.582 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.916 -6.080 14.500 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.893 -5.548 13.251 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.527 -7.175 13.402 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.376 -4.498 15.826 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.407 -7.331 14.812 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.660 -3.853 17.810 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.680 -6.681 16.804 1.00 0.00 H new ATOM 0 HH TYR A 15 -20.882 -4.687 18.312 1.00 0.00 H new ATOM 247 N ILE A 16 -15.400 -7.490 16.614 1.00 0.00 N ATOM 248 CA ILE A 16 -15.444 -8.368 17.798 1.00 0.00 C ATOM 249 C ILE A 16 -16.545 -7.875 18.746 1.00 0.00 C ATOM 250 O ILE A 16 -16.630 -6.683 19.035 1.00 0.00 O ATOM 251 CB ILE A 16 -14.050 -8.417 18.524 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.949 -8.898 17.522 1.00 0.00 C ATOM 253 CG2 ILE A 16 -14.097 -9.330 19.780 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.541 -8.937 18.074 1.00 0.00 C ATOM 0 H ILE A 16 -15.251 -6.506 16.836 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.672 -9.385 17.480 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.802 -7.412 18.866 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.212 -9.896 17.172 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.962 -8.242 16.652 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.118 -9.342 20.258 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.838 -8.947 20.481 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.368 -10.343 19.483 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.856 -9.284 17.300 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.249 -7.938 18.396 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.502 -9.618 18.924 1.00 0.00 H new ATOM 266 N ASN A 17 -17.397 -8.806 19.189 1.00 0.00 N ATOM 267 CA ASN A 17 -18.542 -8.538 20.071 1.00 0.00 C ATOM 268 C ASN A 17 -18.495 -9.495 21.280 1.00 0.00 C ATOM 269 O ASN A 17 -18.131 -10.668 21.133 1.00 0.00 O ATOM 270 CB ASN A 17 -19.857 -8.719 19.261 1.00 0.00 C ATOM 271 CG ASN A 17 -21.116 -8.356 20.051 1.00 0.00 C ATOM 272 OD1 ASN A 17 -21.747 -9.210 20.677 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.482 -7.080 20.043 1.00 0.00 N ATOM 0 H ASN A 17 -17.309 -9.791 18.939 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.502 -7.515 20.446 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.810 -8.101 18.364 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.931 -9.755 18.931 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.306 -6.783 20.565 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -20.939 -6.397 19.515 1.00 0.00 H new ATOM 280 N GLY A 18 -18.860 -8.982 22.472 1.00 0.00 N ATOM 281 CA GLY A 18 -18.801 -9.765 23.723 1.00 0.00 C ATOM 282 C GLY A 18 -17.398 -9.786 24.327 1.00 0.00 C ATOM 283 O GLY A 18 -16.527 -9.009 23.906 1.00 0.00 O ATOM 0 H GLY A 18 -19.199 -8.028 22.595 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.499 -9.344 24.446 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.125 -10.787 23.525 1.00 0.00 H new ATOM 287 N TYR A 19 -17.171 -10.662 25.331 1.00 0.00 N ATOM 288 CA TYR A 19 -15.852 -10.817 25.975 1.00 0.00 C ATOM 289 C TYR A 19 -15.162 -12.068 25.414 1.00 0.00 C ATOM 290 O TYR A 19 -15.558 -13.193 25.723 1.00 0.00 O ATOM 291 CB TYR A 19 -16.016 -10.926 27.513 1.00 0.00 C ATOM 292 CG TYR A 19 -16.747 -9.724 28.135 1.00 0.00 C ATOM 293 CD1 TYR A 19 -16.083 -8.513 28.365 1.00 0.00 C ATOM 294 CD2 TYR A 19 -18.103 -9.790 28.471 1.00 0.00 C ATOM 295 CE1 TYR A 19 -16.743 -7.427 28.910 1.00 0.00 C ATOM 296 CE2 TYR A 19 -18.763 -8.703 29.013 1.00 0.00 C ATOM 297 CZ TYR A 19 -18.079 -7.524 29.232 1.00 0.00 C ATOM 298 OH TYR A 19 -18.739 -6.440 29.773 1.00 0.00 O ATOM 0 H TYR A 19 -17.891 -11.275 25.713 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.236 -9.943 25.762 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.565 -11.838 27.749 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.031 -11.020 27.970 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.037 -8.426 28.112 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.645 -10.709 28.304 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.211 -6.503 29.083 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.811 -8.776 29.264 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.675 -6.677 29.940 1.00 0.00 H new ATOM 308 N THR A 20 -14.123 -11.849 24.603 1.00 0.00 N ATOM 309 CA THR A 20 -13.361 -12.913 23.937 1.00 0.00 C ATOM 310 C THR A 20 -11.962 -13.003 24.557 1.00 0.00 C ATOM 311 O THR A 20 -11.366 -11.968 24.885 1.00 0.00 O ATOM 312 CB THR A 20 -13.238 -12.605 22.405 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.608 -11.318 22.211 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.612 -12.605 21.704 1.00 0.00 C ATOM 0 H THR A 20 -13.781 -10.913 24.386 1.00 0.00 H new ATOM 0 HA THR A 20 -13.881 -13.862 24.068 1.00 0.00 H new ATOM 0 HB THR A 20 -12.631 -13.395 21.962 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.293 -10.644 22.022 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.480 -12.387 20.644 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.079 -13.583 21.818 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.250 -11.844 22.154 1.00 0.00 H new ATOM 322 N LYS A 21 -11.445 -14.229 24.758 1.00 0.00 N ATOM 323 CA LYS A 21 -10.034 -14.429 25.143 1.00 0.00 C ATOM 324 C LYS A 21 -9.226 -14.967 23.936 1.00 0.00 C ATOM 325 O LYS A 21 -9.626 -15.962 23.320 1.00 0.00 O ATOM 326 CB LYS A 21 -9.863 -15.359 26.366 1.00 0.00 C ATOM 327 CG LYS A 21 -10.584 -14.875 27.653 1.00 0.00 C ATOM 328 CD LYS A 21 -10.164 -13.444 28.105 1.00 0.00 C ATOM 329 CE LYS A 21 -8.674 -13.329 28.474 1.00 0.00 C ATOM 330 NZ LYS A 21 -8.317 -11.961 28.926 1.00 0.00 N ATOM 0 H LYS A 21 -11.979 -15.093 24.661 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.646 -13.455 25.441 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.236 -16.350 26.107 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.799 -15.465 26.579 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.661 -14.892 27.484 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.377 -15.577 28.461 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.387 -12.739 27.305 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.767 -13.152 28.965 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.440 -14.044 29.263 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.065 -13.596 27.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.305 -11.927 29.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.516 -11.281 28.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.879 -11.715 29.766 1.00 0.00 H new ATOM 344 N PRO A 22 -8.083 -14.307 23.558 1.00 0.00 N ATOM 345 CA PRO A 22 -7.554 -13.095 24.228 1.00 0.00 C ATOM 346 C PRO A 22 -8.317 -11.815 23.799 1.00 0.00 C ATOM 347 O PRO A 22 -9.206 -11.881 22.933 1.00 0.00 O ATOM 348 CB PRO A 22 -6.085 -13.093 23.783 1.00 0.00 C ATOM 349 CG PRO A 22 -6.142 -13.621 22.382 1.00 0.00 C ATOM 350 CD PRO A 22 -7.224 -14.690 22.404 1.00 0.00 C ATOM 0 HA PRO A 22 -7.669 -13.105 25.312 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.657 -12.091 23.817 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.470 -13.724 24.425 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.384 -12.830 21.672 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.182 -14.038 22.079 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.790 -14.705 21.472 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.800 -15.685 22.535 1.00 0.00 H new ATOM 358 N GLY A 23 -7.968 -10.678 24.435 1.00 0.00 N ATOM 359 CA GLY A 23 -8.713 -9.414 24.309 1.00 0.00 C ATOM 360 C GLY A 23 -8.957 -8.958 22.871 1.00 0.00 C ATOM 361 O GLY A 23 -8.180 -9.294 21.977 1.00 0.00 O ATOM 0 H GLY A 23 -7.158 -10.613 25.052 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.675 -9.524 24.809 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.167 -8.632 24.836 1.00 0.00 H new ATOM 365 N ARG A 24 -10.036 -8.171 22.669 1.00 0.00 N ATOM 366 CA ARG A 24 -10.444 -7.667 21.344 1.00 0.00 C ATOM 367 C ARG A 24 -9.324 -6.846 20.679 1.00 0.00 C ATOM 368 O ARG A 24 -9.181 -6.885 19.455 1.00 0.00 O ATOM 369 CB ARG A 24 -11.775 -6.870 21.431 1.00 0.00 C ATOM 370 CG ARG A 24 -11.744 -5.621 22.345 1.00 0.00 C ATOM 371 CD ARG A 24 -13.119 -4.936 22.475 1.00 0.00 C ATOM 372 NE ARG A 24 -13.599 -4.402 21.181 1.00 0.00 N ATOM 373 CZ ARG A 24 -14.822 -4.592 20.661 1.00 0.00 C ATOM 374 NH1 ARG A 24 -15.717 -5.352 21.279 1.00 0.00 N ATOM 375 NH2 ARG A 24 -15.144 -4.014 19.510 1.00 0.00 N ATOM 0 H ARG A 24 -10.650 -7.867 23.425 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.625 -8.531 20.704 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.057 -6.557 20.426 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.557 -7.540 21.787 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.394 -5.911 23.336 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.024 -4.905 21.949 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.844 -5.651 22.863 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.052 -4.124 23.199 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.944 -3.841 20.637 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.480 -5.802 22.163 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.642 -5.486 20.870 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.464 -3.429 19.025 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.072 -4.155 19.110 1.00 0.00 H new ATOM 389 N LEU A 25 -8.548 -6.106 21.498 1.00 0.00 N ATOM 390 CA LEU A 25 -7.345 -5.394 21.021 1.00 0.00 C ATOM 391 C LEU A 25 -6.310 -6.383 20.422 1.00 0.00 C ATOM 392 O LEU A 25 -5.833 -6.165 19.310 1.00 0.00 O ATOM 393 CB LEU A 25 -6.739 -4.469 22.139 1.00 0.00 C ATOM 394 CG LEU A 25 -6.566 -5.052 23.601 1.00 0.00 C ATOM 395 CD1 LEU A 25 -5.326 -5.955 23.764 1.00 0.00 C ATOM 396 CD2 LEU A 25 -6.551 -3.923 24.663 1.00 0.00 C ATOM 0 H LEU A 25 -8.734 -5.986 22.494 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.643 -4.729 20.210 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.758 -4.138 21.798 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.368 -3.582 22.210 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.438 -5.685 23.765 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.272 -6.318 24.790 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.401 -6.803 23.083 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.427 -5.383 23.534 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.431 -4.358 25.655 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.722 -3.245 24.461 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.490 -3.371 24.620 1.00 0.00 H new ATOM 408 N GLN A 26 -6.053 -7.504 21.128 1.00 0.00 N ATOM 409 CA GLN A 26 -5.029 -8.509 20.740 1.00 0.00 C ATOM 410 C GLN A 26 -5.427 -9.228 19.443 1.00 0.00 C ATOM 411 O GLN A 26 -4.632 -9.309 18.508 1.00 0.00 O ATOM 412 CB GLN A 26 -4.804 -9.539 21.891 1.00 0.00 C ATOM 413 CG GLN A 26 -3.865 -10.724 21.552 1.00 0.00 C ATOM 414 CD GLN A 26 -2.463 -10.310 21.078 1.00 0.00 C ATOM 415 OE1 GLN A 26 -2.219 -10.143 19.886 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.539 -10.135 22.010 1.00 0.00 N ATOM 0 H GLN A 26 -6.549 -7.743 21.987 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.092 -7.982 20.561 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.397 -9.011 22.753 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.772 -9.940 22.191 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.765 -11.356 22.435 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.332 -11.331 20.777 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.771 -10.281 22.992 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.595 -9.854 21.746 1.00 0.00 H new ATOM 425 N LEU A 27 -6.666 -9.744 19.405 1.00 0.00 N ATOM 426 CA LEU A 27 -7.226 -10.414 18.214 1.00 0.00 C ATOM 427 C LEU A 27 -7.172 -9.493 16.979 1.00 0.00 C ATOM 428 O LEU A 27 -6.759 -9.923 15.908 1.00 0.00 O ATOM 429 CB LEU A 27 -8.680 -10.857 18.483 1.00 0.00 C ATOM 430 CG LEU A 27 -8.870 -12.003 19.516 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.362 -12.196 19.858 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.242 -13.317 19.000 1.00 0.00 C ATOM 0 H LEU A 27 -7.309 -9.710 20.196 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.618 -11.295 18.007 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.244 -9.990 18.826 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.123 -11.171 17.538 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.352 -11.722 20.433 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.468 -13.003 20.583 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.760 -11.274 20.281 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.913 -12.447 18.952 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.387 -14.105 19.739 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.720 -13.606 18.064 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.175 -13.169 18.832 1.00 0.00 H new ATOM 444 N HIS A 28 -7.558 -8.213 17.168 1.00 0.00 N ATOM 445 CA HIS A 28 -7.529 -7.196 16.090 1.00 0.00 C ATOM 446 C HIS A 28 -6.092 -6.953 15.588 1.00 0.00 C ATOM 447 O HIS A 28 -5.887 -6.764 14.396 1.00 0.00 O ATOM 448 CB HIS A 28 -8.197 -5.866 16.546 1.00 0.00 C ATOM 449 CG HIS A 28 -9.708 -5.871 16.492 1.00 0.00 C ATOM 450 ND1 HIS A 28 -10.492 -5.041 17.267 1.00 0.00 N ATOM 451 CD2 HIS A 28 -10.567 -6.546 15.696 1.00 0.00 C ATOM 452 CE1 HIS A 28 -11.761 -5.205 16.948 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.837 -6.111 15.991 1.00 0.00 N ATOM 0 H HIS A 28 -7.896 -7.856 18.062 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.110 -7.588 15.255 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.884 -5.648 17.567 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.827 -5.055 15.919 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -10.143 -4.399 17.978 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.303 -7.292 14.961 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.596 -4.686 17.394 1.00 0.00 H new ATOM 462 N GLU A 29 -5.110 -6.990 16.507 1.00 0.00 N ATOM 463 CA GLU A 29 -3.667 -6.873 16.152 1.00 0.00 C ATOM 464 C GLU A 29 -3.207 -8.094 15.326 1.00 0.00 C ATOM 465 O GLU A 29 -2.494 -7.945 14.338 1.00 0.00 O ATOM 466 CB GLU A 29 -2.786 -6.719 17.428 1.00 0.00 C ATOM 467 CG GLU A 29 -3.027 -5.419 18.210 1.00 0.00 C ATOM 468 CD GLU A 29 -2.208 -5.326 19.510 1.00 0.00 C ATOM 469 OE1 GLU A 29 -2.664 -5.841 20.562 1.00 0.00 O ATOM 470 OE2 GLU A 29 -1.101 -4.746 19.485 1.00 0.00 O ATOM 0 H GLU A 29 -5.281 -7.100 17.506 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.545 -5.976 15.544 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.972 -7.566 18.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.736 -6.766 17.138 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.781 -4.570 17.573 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.087 -5.340 18.451 1.00 0.00 H new ATOM 477 N MET A 30 -3.666 -9.293 15.732 1.00 0.00 N ATOM 478 CA MET A 30 -3.373 -10.572 15.031 1.00 0.00 C ATOM 479 C MET A 30 -3.907 -10.536 13.583 1.00 0.00 C ATOM 480 O MET A 30 -3.320 -11.122 12.672 1.00 0.00 O ATOM 481 CB MET A 30 -3.992 -11.771 15.812 1.00 0.00 C ATOM 482 CG MET A 30 -3.408 -12.040 17.222 1.00 0.00 C ATOM 483 SD MET A 30 -1.898 -13.056 17.226 1.00 0.00 S ATOM 484 CE MET A 30 -0.617 -11.944 16.632 1.00 0.00 C ATOM 0 H MET A 30 -4.253 -9.409 16.558 1.00 0.00 H new ATOM 0 HA MET A 30 -2.292 -10.703 14.992 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.064 -11.599 15.912 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.868 -12.672 15.212 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.191 -11.085 17.701 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.167 -12.535 17.828 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.334 -12.202 17.098 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.527 -12.037 15.550 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.879 -10.917 16.887 1.00 0.00 H new ATOM 494 N ILE A 31 -5.029 -9.837 13.407 1.00 0.00 N ATOM 495 CA ILE A 31 -5.656 -9.606 12.098 1.00 0.00 C ATOM 496 C ILE A 31 -4.806 -8.645 11.239 1.00 0.00 C ATOM 497 O ILE A 31 -4.473 -8.969 10.097 1.00 0.00 O ATOM 498 CB ILE A 31 -7.120 -9.074 12.322 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.977 -10.185 13.025 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.789 -8.589 11.012 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.216 -9.679 13.736 1.00 0.00 C ATOM 0 H ILE A 31 -5.538 -9.407 14.179 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.711 -10.542 11.542 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.063 -8.198 12.968 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.279 -10.918 12.277 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.348 -10.706 13.747 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.797 -8.233 11.228 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.202 -7.777 10.583 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.840 -9.415 10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.743 -10.518 14.191 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.926 -8.969 14.511 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.871 -9.185 13.018 1.00 0.00 H new ATOM 513 N VAL A 32 -4.417 -7.501 11.830 1.00 0.00 N ATOM 514 CA VAL A 32 -3.664 -6.433 11.129 1.00 0.00 C ATOM 515 C VAL A 32 -2.291 -6.929 10.616 1.00 0.00 C ATOM 516 O VAL A 32 -1.945 -6.712 9.451 1.00 0.00 O ATOM 517 CB VAL A 32 -3.463 -5.175 12.051 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.563 -4.113 11.377 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.820 -4.552 12.440 1.00 0.00 C ATOM 0 H VAL A 32 -4.614 -7.286 12.808 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.266 -6.147 10.266 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.963 -5.517 12.957 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.447 -3.258 12.044 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.585 -4.545 11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.022 -3.786 10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.652 -3.684 13.078 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.350 -4.244 11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.417 -5.288 12.979 1.00 0.00 H new ATOM 529 N LEU A 33 -1.533 -7.609 11.498 1.00 0.00 N ATOM 530 CA LEU A 33 -0.188 -8.145 11.171 1.00 0.00 C ATOM 531 C LEU A 33 -0.253 -9.196 10.036 1.00 0.00 C ATOM 532 O LEU A 33 0.730 -9.402 9.324 1.00 0.00 O ATOM 533 CB LEU A 33 0.504 -8.726 12.451 1.00 0.00 C ATOM 534 CG LEU A 33 1.282 -7.706 13.354 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.422 -7.025 12.570 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.346 -6.663 13.996 1.00 0.00 C ATOM 0 H LEU A 33 -1.830 -7.804 12.454 1.00 0.00 H new ATOM 0 HA LEU A 33 0.420 -7.318 10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.259 -9.208 13.062 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.200 -9.504 12.138 1.00 0.00 H new ATOM 0 HG LEU A 33 1.726 -8.277 14.169 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.943 -6.324 13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.123 -7.781 12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.007 -6.488 11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.931 -5.979 14.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.164 -6.101 13.213 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.392 -7.170 14.618 1.00 0.00 H new ATOM 548 N HIS A 34 -1.429 -9.816 9.861 1.00 0.00 N ATOM 549 CA HIS A 34 -1.699 -10.782 8.772 1.00 0.00 C ATOM 550 C HIS A 34 -2.381 -10.094 7.562 1.00 0.00 C ATOM 551 O HIS A 34 -3.124 -10.732 6.801 1.00 0.00 O ATOM 552 CB HIS A 34 -2.528 -11.964 9.339 1.00 0.00 C ATOM 553 CG HIS A 34 -1.695 -12.922 10.159 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.304 -14.155 9.694 1.00 0.00 N ATOM 555 CD2 HIS A 34 -1.114 -12.790 11.377 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.531 -14.740 10.586 1.00 0.00 C ATOM 557 NE2 HIS A 34 -0.399 -13.937 11.611 1.00 0.00 N ATOM 0 H HIS A 34 -2.230 -9.664 10.474 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.758 -11.179 8.391 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.336 -11.572 9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.991 -12.506 8.514 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.572 -14.556 8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.198 -11.941 12.039 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.082 -15.717 10.488 1.00 0.00 H new ATOM 566 N GLY A 35 -2.114 -8.776 7.414 1.00 0.00 N ATOM 567 CA GLY A 35 -2.581 -7.976 6.269 1.00 0.00 C ATOM 568 C GLY A 35 -4.071 -7.677 6.299 1.00 0.00 C ATOM 569 O GLY A 35 -4.651 -7.264 5.286 1.00 0.00 O ATOM 0 H GLY A 35 -1.567 -8.241 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.031 -7.035 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.344 -8.506 5.346 1.00 0.00 H new ATOM 573 N GLY A 36 -4.678 -7.857 7.477 1.00 0.00 N ATOM 574 CA GLY A 36 -6.123 -7.793 7.633 1.00 0.00 C ATOM 575 C GLY A 36 -6.639 -6.444 8.077 1.00 0.00 C ATOM 576 O GLY A 36 -5.862 -5.530 8.385 1.00 0.00 O ATOM 0 H GLY A 36 -4.176 -8.050 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.592 -8.054 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.432 -8.545 8.359 1.00 0.00 H new ATOM 580 N LYS A 37 -7.972 -6.350 8.137 1.00 0.00 N ATOM 581 CA LYS A 37 -8.697 -5.119 8.471 1.00 0.00 C ATOM 582 C LYS A 37 -9.704 -5.427 9.593 1.00 0.00 C ATOM 583 O LYS A 37 -10.127 -6.580 9.748 1.00 0.00 O ATOM 584 CB LYS A 37 -9.415 -4.606 7.192 1.00 0.00 C ATOM 585 CG LYS A 37 -9.847 -3.130 7.222 1.00 0.00 C ATOM 586 CD LYS A 37 -8.643 -2.151 7.291 1.00 0.00 C ATOM 587 CE LYS A 37 -9.053 -0.689 7.032 1.00 0.00 C ATOM 588 NZ LYS A 37 -10.110 -0.214 7.961 1.00 0.00 N ATOM 0 H LYS A 37 -8.588 -7.141 7.951 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.016 -4.344 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.752 -4.755 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.298 -5.222 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.437 -2.911 6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.495 -2.963 8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.175 -2.225 8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.894 -2.450 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.176 -0.048 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.407 -0.592 6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.311 0.789 7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.975 -0.773 7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.785 -0.326 8.943 1.00 0.00 H new ATOM 602 N PHE A 38 -10.092 -4.405 10.378 1.00 0.00 N ATOM 603 CA PHE A 38 -11.046 -4.586 11.486 1.00 0.00 C ATOM 604 C PHE A 38 -12.069 -3.438 11.567 1.00 0.00 C ATOM 605 O PHE A 38 -11.943 -2.420 10.880 1.00 0.00 O ATOM 606 CB PHE A 38 -10.297 -4.800 12.829 1.00 0.00 C ATOM 607 CG PHE A 38 -9.496 -3.611 13.364 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.162 -3.427 13.010 1.00 0.00 C ATOM 609 CD2 PHE A 38 -10.072 -2.685 14.240 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.432 -2.358 13.504 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.340 -1.618 14.730 1.00 0.00 C ATOM 612 CZ PHE A 38 -8.021 -1.457 14.361 1.00 0.00 C ATOM 0 H PHE A 38 -9.760 -3.447 10.265 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.621 -5.489 11.281 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.028 -5.086 13.585 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.616 -5.643 12.709 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.689 -4.129 12.339 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.103 -2.805 14.538 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.399 -2.232 13.216 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.802 -0.910 15.402 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.451 -0.624 14.745 1.00 0.00 H new ATOM 622 N LEU A 39 -13.107 -3.650 12.395 1.00 0.00 N ATOM 623 CA LEU A 39 -14.202 -2.686 12.600 1.00 0.00 C ATOM 624 C LEU A 39 -14.409 -2.500 14.122 1.00 0.00 C ATOM 625 O LEU A 39 -14.325 -3.479 14.886 1.00 0.00 O ATOM 626 CB LEU A 39 -15.507 -3.199 11.882 1.00 0.00 C ATOM 627 CG LEU A 39 -16.376 -2.128 11.139 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.967 -1.084 12.100 1.00 0.00 C ATOM 629 CD2 LEU A 39 -15.572 -1.448 10.011 1.00 0.00 C ATOM 0 H LEU A 39 -13.210 -4.503 12.945 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.956 -1.719 12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.219 -3.962 11.159 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.135 -3.687 12.628 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.216 -2.658 10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.560 -0.365 11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.601 -1.582 12.833 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.159 -0.564 12.614 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.199 -0.709 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.697 -0.955 10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.251 -2.199 9.289 1.00 0.00 H new ATOM 641 N HIS A 40 -14.679 -1.241 14.539 1.00 0.00 N ATOM 642 CA HIS A 40 -14.834 -0.861 15.961 1.00 0.00 C ATOM 643 C HIS A 40 -16.192 -1.349 16.530 1.00 0.00 C ATOM 644 O HIS A 40 -16.246 -1.938 17.615 1.00 0.00 O ATOM 645 CB HIS A 40 -14.691 0.688 16.140 1.00 0.00 C ATOM 646 CG HIS A 40 -15.837 1.534 15.611 1.00 0.00 C ATOM 647 ND1 HIS A 40 -16.689 2.245 16.433 1.00 0.00 N ATOM 648 CD2 HIS A 40 -16.295 1.735 14.348 1.00 0.00 C ATOM 649 CE1 HIS A 40 -17.605 2.852 15.702 1.00 0.00 C ATOM 650 NE2 HIS A 40 -17.388 2.557 14.440 1.00 0.00 N ATOM 0 H HIS A 40 -14.796 -0.458 13.896 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.038 -1.350 16.523 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.571 0.900 17.202 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.773 1.007 15.645 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.876 1.324 13.441 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.397 3.483 16.077 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -17.945 2.888 13.652 1.00 0.00 H new ATOM 659 N TYR A 41 -17.271 -1.106 15.750 1.00 0.00 N ATOM 660 CA TYR A 41 -18.671 -1.321 16.166 1.00 0.00 C ATOM 661 C TYR A 41 -19.611 -1.075 14.971 1.00 0.00 C ATOM 662 O TYR A 41 -19.401 -0.131 14.204 1.00 0.00 O ATOM 663 CB TYR A 41 -19.049 -0.390 17.360 1.00 0.00 C ATOM 664 CG TYR A 41 -20.492 -0.558 17.870 1.00 0.00 C ATOM 665 CD1 TYR A 41 -20.893 -1.733 18.510 1.00 0.00 C ATOM 666 CD2 TYR A 41 -21.454 0.446 17.701 1.00 0.00 C ATOM 667 CE1 TYR A 41 -22.189 -1.904 18.951 1.00 0.00 C ATOM 668 CE2 TYR A 41 -22.754 0.278 18.147 1.00 0.00 C ATOM 669 CZ TYR A 41 -23.116 -0.895 18.769 1.00 0.00 C ATOM 670 OH TYR A 41 -24.408 -1.068 19.210 1.00 0.00 O ATOM 0 H TYR A 41 -17.188 -0.749 14.798 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.781 -2.353 16.501 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -18.362 -0.580 18.184 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.903 0.647 17.056 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -20.174 -2.524 18.663 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -21.176 1.369 17.213 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -22.478 -2.824 19.437 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -23.481 1.064 18.007 1.00 0.00 H new ATOM 0 HH TYR A 41 -24.933 -0.266 19.007 1.00 0.00 H new ATOM 743 N LYS A 46 -24.234 -3.219 6.862 1.00 0.00 N ATOM 744 CA LYS A 46 -23.238 -4.219 6.448 1.00 0.00 C ATOM 745 C LYS A 46 -21.901 -3.535 6.113 1.00 0.00 C ATOM 746 O LYS A 46 -21.628 -3.210 4.953 1.00 0.00 O ATOM 747 CB LYS A 46 -23.773 -5.044 5.236 1.00 0.00 C ATOM 748 CG LYS A 46 -25.110 -5.767 5.511 1.00 0.00 C ATOM 749 CD LYS A 46 -25.681 -6.483 4.264 1.00 0.00 C ATOM 750 CE LYS A 46 -27.043 -7.139 4.551 1.00 0.00 C ATOM 751 NZ LYS A 46 -27.636 -7.763 3.343 1.00 0.00 N ATOM 0 HA LYS A 46 -23.063 -4.909 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.901 -4.377 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -23.023 -5.783 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.964 -6.497 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -25.840 -5.043 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.788 -5.765 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -24.976 -7.243 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -26.922 -7.896 5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.729 -6.388 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.552 -8.191 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.777 -7.038 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.995 -8.499 2.982 1.00 0.00 H new ATOM 765 N THR A 47 -21.107 -3.260 7.158 1.00 0.00 N ATOM 766 CA THR A 47 -19.760 -2.667 7.025 1.00 0.00 C ATOM 767 C THR A 47 -18.708 -3.637 7.632 1.00 0.00 C ATOM 768 O THR A 47 -17.606 -3.232 8.028 1.00 0.00 O ATOM 769 CB THR A 47 -19.716 -1.246 7.713 1.00 0.00 C ATOM 770 OG1 THR A 47 -20.975 -0.574 7.531 1.00 0.00 O ATOM 771 CG2 THR A 47 -18.594 -0.353 7.148 1.00 0.00 C ATOM 0 H THR A 47 -21.378 -3.442 8.124 1.00 0.00 H new ATOM 0 HA THR A 47 -19.522 -2.522 5.971 1.00 0.00 H new ATOM 0 HB THR A 47 -19.517 -1.413 8.771 1.00 0.00 H new ATOM 0 HG1 THR A 47 -20.941 0.306 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.607 0.612 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.630 -0.834 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 47 -18.751 -0.204 6.080 1.00 0.00 H new ATOM 779 N VAL A 48 -19.062 -4.941 7.676 1.00 0.00 N ATOM 780 CA VAL A 48 -18.157 -6.012 8.138 1.00 0.00 C ATOM 781 C VAL A 48 -18.568 -7.356 7.488 1.00 0.00 C ATOM 782 O VAL A 48 -19.716 -7.511 7.051 1.00 0.00 O ATOM 783 CB VAL A 48 -18.127 -6.121 9.719 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.401 -6.781 10.303 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.853 -6.837 10.211 1.00 0.00 C ATOM 0 H VAL A 48 -19.982 -5.278 7.392 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.143 -5.763 7.826 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.108 -5.098 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.321 -6.827 11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.275 -6.191 10.028 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.504 -7.790 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.865 -6.894 11.299 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.818 -7.844 9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.974 -6.280 9.887 1.00 0.00 H new ATOM 795 N THR A 49 -17.614 -8.299 7.381 1.00 0.00 N ATOM 796 CA THR A 49 -17.842 -9.631 6.771 1.00 0.00 C ATOM 797 C THR A 49 -17.698 -10.762 7.813 1.00 0.00 C ATOM 798 O THR A 49 -18.290 -11.838 7.651 1.00 0.00 O ATOM 799 CB THR A 49 -16.873 -9.865 5.552 1.00 0.00 C ATOM 800 OG1 THR A 49 -16.910 -11.234 5.106 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.425 -9.474 5.874 1.00 0.00 C ATOM 0 H THR A 49 -16.660 -8.163 7.715 1.00 0.00 H new ATOM 0 HA THR A 49 -18.867 -9.652 6.400 1.00 0.00 H new ATOM 0 HB THR A 49 -17.232 -9.217 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.300 -11.348 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.797 -9.654 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.384 -8.417 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.064 -10.072 6.711 1.00 0.00 H new ATOM 809 N HIS A 50 -16.913 -10.513 8.879 1.00 0.00 N ATOM 810 CA HIS A 50 -16.687 -11.482 9.974 1.00 0.00 C ATOM 811 C HIS A 50 -16.846 -10.792 11.334 1.00 0.00 C ATOM 812 O HIS A 50 -16.411 -9.663 11.511 1.00 0.00 O ATOM 813 CB HIS A 50 -15.272 -12.138 9.863 1.00 0.00 C ATOM 814 CG HIS A 50 -15.196 -13.313 8.921 1.00 0.00 C ATOM 815 ND1 HIS A 50 -15.109 -13.188 7.551 1.00 0.00 N ATOM 816 CD2 HIS A 50 -15.204 -14.648 9.168 1.00 0.00 C ATOM 817 CE1 HIS A 50 -15.070 -14.388 6.999 1.00 0.00 C ATOM 818 NE2 HIS A 50 -15.126 -15.288 7.957 1.00 0.00 N ATOM 0 H HIS A 50 -16.415 -9.632 9.007 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.434 -12.271 9.887 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.560 -11.381 9.536 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.958 -12.464 10.855 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -15.261 -15.119 10.138 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.003 -14.595 5.941 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.113 -16.299 7.821 1.00 0.00 H new ATOM 827 N ILE A 51 -17.496 -11.482 12.279 1.00 0.00 N ATOM 828 CA ILE A 51 -17.663 -11.035 13.679 1.00 0.00 C ATOM 829 C ILE A 51 -17.096 -12.125 14.607 1.00 0.00 C ATOM 830 O ILE A 51 -17.147 -13.293 14.270 1.00 0.00 O ATOM 831 CB ILE A 51 -19.167 -10.707 14.030 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.707 -9.557 13.113 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.338 -10.348 15.536 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.147 -9.134 13.384 1.00 0.00 C ATOM 0 H ILE A 51 -17.932 -12.386 12.094 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.115 -10.103 13.820 1.00 0.00 H new ATOM 0 HB ILE A 51 -19.757 -11.604 13.841 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.061 -8.687 13.230 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.628 -9.875 12.073 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.386 -10.128 15.741 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.017 -11.190 16.149 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.731 -9.474 15.773 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.426 -8.334 12.699 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.810 -9.986 13.236 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.235 -8.779 14.411 1.00 0.00 H new ATOM 846 N VAL A 52 -16.462 -11.729 15.714 1.00 0.00 N ATOM 847 CA VAL A 52 -15.871 -12.665 16.692 1.00 0.00 C ATOM 848 C VAL A 52 -16.586 -12.546 18.039 1.00 0.00 C ATOM 849 O VAL A 52 -16.574 -11.488 18.652 1.00 0.00 O ATOM 850 CB VAL A 52 -14.341 -12.379 16.873 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.696 -13.273 17.957 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.615 -12.530 15.529 1.00 0.00 C ATOM 0 H VAL A 52 -16.340 -10.748 15.964 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.995 -13.679 16.313 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.238 -11.351 17.220 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.636 -13.034 18.042 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.186 -13.095 18.914 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.811 -14.321 17.680 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.552 -12.329 15.665 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.748 -13.546 15.156 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.029 -11.823 14.810 1.00 0.00 H new ATOM 862 N ALA A 53 -17.182 -13.647 18.497 1.00 0.00 N ATOM 863 CA ALA A 53 -17.852 -13.720 19.804 1.00 0.00 C ATOM 864 C ALA A 53 -17.313 -14.909 20.604 1.00 0.00 C ATOM 865 O ALA A 53 -16.747 -15.843 20.031 1.00 0.00 O ATOM 866 CB ALA A 53 -19.372 -13.833 19.612 1.00 0.00 C ATOM 0 H ALA A 53 -17.216 -14.521 17.972 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.645 -12.808 20.364 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.859 -13.886 20.586 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.736 -12.959 19.072 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.601 -14.734 19.042 1.00 0.00 H new ATOM 872 N SER A 54 -17.465 -14.851 21.936 1.00 0.00 N ATOM 873 CA SER A 54 -17.187 -15.997 22.816 1.00 0.00 C ATOM 874 C SER A 54 -18.270 -17.063 22.604 1.00 0.00 C ATOM 875 O SER A 54 -17.979 -18.242 22.395 1.00 0.00 O ATOM 876 CB SER A 54 -17.153 -15.533 24.284 1.00 0.00 C ATOM 877 OG SER A 54 -17.034 -16.623 25.179 1.00 0.00 O ATOM 0 H SER A 54 -17.781 -14.017 22.430 1.00 0.00 H new ATOM 0 HA SER A 54 -16.215 -16.426 22.574 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.316 -14.850 24.430 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.062 -14.975 24.510 1.00 0.00 H new ATOM 0 HG SER A 54 -17.014 -16.289 26.100 1.00 0.00 H new ATOM 883 N ASN A 55 -19.521 -16.601 22.653 1.00 0.00 N ATOM 884 CA ASN A 55 -20.706 -17.357 22.246 1.00 0.00 C ATOM 885 C ASN A 55 -21.711 -16.349 21.669 1.00 0.00 C ATOM 886 O ASN A 55 -21.765 -15.189 22.111 1.00 0.00 O ATOM 887 CB ASN A 55 -21.318 -18.142 23.443 1.00 0.00 C ATOM 888 CG ASN A 55 -22.581 -18.950 23.086 1.00 0.00 C ATOM 889 OD1 ASN A 55 -22.731 -19.437 21.959 1.00 0.00 O ATOM 890 ND2 ASN A 55 -23.506 -19.085 24.036 1.00 0.00 N ATOM 0 H ASN A 55 -19.743 -15.663 22.987 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.441 -18.103 21.497 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -20.565 -18.822 23.840 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.563 -17.438 24.238 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -24.364 -19.601 23.842 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -23.355 -18.673 24.957 1.00 0.00 H new ATOM 897 N LEU A 56 -22.495 -16.791 20.685 1.00 0.00 N ATOM 898 CA LEU A 56 -23.414 -15.925 19.936 1.00 0.00 C ATOM 899 C LEU A 56 -24.841 -16.518 20.062 1.00 0.00 C ATOM 900 O LEU A 56 -25.064 -17.656 19.630 1.00 0.00 O ATOM 901 CB LEU A 56 -22.908 -15.817 18.454 1.00 0.00 C ATOM 902 CG LEU A 56 -23.314 -14.550 17.628 1.00 0.00 C ATOM 903 CD1 LEU A 56 -24.788 -14.546 17.263 1.00 0.00 C ATOM 904 CD2 LEU A 56 -22.912 -13.242 18.346 1.00 0.00 C ATOM 0 H LEU A 56 -22.512 -17.765 20.382 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.445 -14.910 20.332 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.819 -15.871 18.468 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.264 -16.695 17.915 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.754 -14.600 16.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.019 -13.647 16.691 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.017 -15.427 16.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.388 -14.561 18.173 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.212 -12.387 17.740 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -23.409 -13.191 19.315 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -21.832 -13.223 18.491 1.00 0.00 H new ATOM 916 N PRO A 57 -25.813 -15.780 20.708 1.00 0.00 N ATOM 917 CA PRO A 57 -27.207 -16.271 20.915 1.00 0.00 C ATOM 918 C PRO A 57 -27.994 -16.472 19.591 1.00 0.00 C ATOM 919 O PRO A 57 -27.687 -15.835 18.584 1.00 0.00 O ATOM 920 CB PRO A 57 -27.843 -15.184 21.828 1.00 0.00 C ATOM 921 CG PRO A 57 -27.025 -13.950 21.605 1.00 0.00 C ATOM 922 CD PRO A 57 -25.620 -14.431 21.311 1.00 0.00 C ATOM 0 HA PRO A 57 -27.228 -17.265 21.362 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.888 -15.015 21.568 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -27.820 -15.487 22.875 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -27.419 -13.365 20.774 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -27.041 -13.306 22.484 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.104 -13.759 20.625 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.019 -14.483 22.219 1.00 0.00 H new ATOM 930 N LEU A 58 -29.024 -17.344 19.637 1.00 0.00 N ATOM 931 CA LEU A 58 -29.727 -17.884 18.442 1.00 0.00 C ATOM 932 C LEU A 58 -30.408 -16.794 17.579 1.00 0.00 C ATOM 933 O LEU A 58 -30.253 -16.777 16.352 1.00 0.00 O ATOM 934 CB LEU A 58 -30.770 -18.942 18.888 1.00 0.00 C ATOM 935 CG LEU A 58 -30.203 -20.222 19.590 1.00 0.00 C ATOM 936 CD1 LEU A 58 -31.344 -21.147 20.069 1.00 0.00 C ATOM 937 CD2 LEU A 58 -29.223 -20.987 18.669 1.00 0.00 C ATOM 0 H LEU A 58 -29.400 -17.701 20.516 1.00 0.00 H new ATOM 0 HA LEU A 58 -28.967 -18.341 17.809 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.474 -18.463 19.568 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.336 -19.255 18.011 1.00 0.00 H new ATOM 0 HG LEU A 58 -29.645 -19.892 20.466 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -30.920 -22.027 20.552 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -31.973 -20.611 20.779 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -31.945 -21.457 19.214 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -28.849 -21.869 19.188 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -29.742 -21.293 17.760 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -28.387 -20.338 18.408 1.00 0.00 H new ATOM 949 N LYS A 59 -31.152 -15.881 18.233 1.00 0.00 N ATOM 950 CA LYS A 59 -31.846 -14.764 17.537 1.00 0.00 C ATOM 951 C LYS A 59 -30.818 -13.774 16.949 1.00 0.00 C ATOM 952 O LYS A 59 -31.090 -13.090 15.954 1.00 0.00 O ATOM 953 CB LYS A 59 -32.830 -14.033 18.502 1.00 0.00 C ATOM 954 CG LYS A 59 -33.628 -12.858 17.876 1.00 0.00 C ATOM 955 CD LYS A 59 -34.533 -13.291 16.692 1.00 0.00 C ATOM 956 CE LYS A 59 -35.707 -14.188 17.119 1.00 0.00 C ATOM 957 NZ LYS A 59 -36.658 -13.473 18.012 1.00 0.00 N ATOM 0 H LYS A 59 -31.292 -15.890 19.243 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.429 -15.182 16.717 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -33.538 -14.763 18.893 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -32.263 -13.653 19.352 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -34.246 -12.397 18.646 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -32.929 -12.097 17.530 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -34.925 -12.401 16.199 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -33.928 -13.822 15.957 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -36.236 -14.539 16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -35.322 -15.070 17.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -37.492 -14.071 18.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -36.193 -13.264 18.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -36.955 -12.584 17.562 1.00 0.00 H new ATOM 971 N LYS A 60 -29.629 -13.712 17.574 1.00 0.00 N ATOM 972 CA LYS A 60 -28.518 -12.874 17.092 1.00 0.00 C ATOM 973 C LYS A 60 -27.749 -13.574 15.957 1.00 0.00 C ATOM 974 O LYS A 60 -27.085 -12.905 15.176 1.00 0.00 O ATOM 975 CB LYS A 60 -27.581 -12.434 18.258 1.00 0.00 C ATOM 976 CG LYS A 60 -28.036 -11.153 19.005 1.00 0.00 C ATOM 977 CD LYS A 60 -29.458 -11.262 19.619 1.00 0.00 C ATOM 978 CE LYS A 60 -29.978 -9.913 20.141 1.00 0.00 C ATOM 979 NZ LYS A 60 -30.105 -8.899 19.051 1.00 0.00 N ATOM 0 H LYS A 60 -29.412 -14.237 18.421 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.944 -11.961 16.676 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -27.508 -13.251 18.976 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -26.580 -12.270 17.860 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -27.323 -10.933 19.799 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -28.012 -10.311 18.313 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -30.147 -11.647 18.867 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -29.443 -11.983 20.436 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -30.949 -10.058 20.615 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -29.302 -9.537 20.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -30.686 -8.103 19.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -29.161 -8.552 18.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -30.557 -9.335 18.222 1.00 0.00 H new ATOM 993 N ARG A 61 -27.825 -14.918 15.882 1.00 0.00 N ATOM 994 CA ARG A 61 -27.321 -15.683 14.709 1.00 0.00 C ATOM 995 C ARG A 61 -28.153 -15.336 13.469 1.00 0.00 C ATOM 996 O ARG A 61 -27.637 -15.303 12.354 1.00 0.00 O ATOM 997 CB ARG A 61 -27.343 -17.216 14.977 1.00 0.00 C ATOM 998 CG ARG A 61 -26.425 -17.650 16.137 1.00 0.00 C ATOM 999 CD ARG A 61 -26.376 -19.168 16.369 1.00 0.00 C ATOM 1000 NE ARG A 61 -25.452 -19.504 17.469 1.00 0.00 N ATOM 1001 CZ ARG A 61 -25.313 -20.710 18.039 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -25.996 -21.763 17.602 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -24.490 -20.850 19.067 1.00 0.00 N ATOM 0 H ARG A 61 -28.229 -15.501 16.615 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.283 -15.400 14.533 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.365 -17.524 15.198 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -27.042 -17.740 14.070 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.415 -17.291 15.939 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.762 -17.165 17.053 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -27.375 -19.536 16.603 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -26.057 -19.669 15.455 1.00 0.00 H new ATOM 0 HE ARG A 61 -24.866 -18.751 17.829 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -26.641 -21.663 16.818 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.875 -22.671 18.050 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.970 -20.045 19.417 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.376 -21.762 19.509 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.451 -15.085 13.694 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.384 -14.575 12.662 1.00 0.00 C ATOM 1019 C ILE A 62 -30.087 -13.080 12.361 1.00 0.00 C ATOM 1020 O ILE A 62 -30.110 -12.649 11.202 1.00 0.00 O ATOM 1021 CB ILE A 62 -31.877 -14.758 13.140 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.153 -16.256 13.505 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -32.887 -14.248 12.078 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.514 -16.527 14.134 1.00 0.00 C ATOM 0 H ILE A 62 -29.892 -15.229 14.602 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.242 -15.147 11.745 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.018 -14.151 14.034 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.062 -16.857 12.600 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.378 -16.595 14.192 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -33.904 -14.391 12.444 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.715 -13.188 11.891 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -32.753 -14.806 11.151 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -33.610 -17.591 14.350 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.607 -15.959 15.060 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.301 -16.225 13.443 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.778 -12.318 13.434 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.443 -10.866 13.361 1.00 0.00 C ATOM 1038 C GLU A 63 -28.160 -10.651 12.537 1.00 0.00 C ATOM 1039 O GLU A 63 -28.007 -9.655 11.822 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.224 -10.308 14.799 1.00 0.00 C ATOM 1041 CG GLU A 63 -29.444 -8.792 14.981 1.00 0.00 C ATOM 1042 CD GLU A 63 -30.925 -8.432 15.202 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -31.654 -8.187 14.215 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -31.376 -8.431 16.374 1.00 0.00 O ATOM 0 H GLU A 63 -29.752 -12.689 14.384 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.269 -10.342 12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -29.895 -10.836 15.477 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -28.206 -10.546 15.108 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -28.858 -8.443 15.831 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -29.073 -8.266 14.101 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.247 -11.622 12.666 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.914 -11.592 12.063 1.00 0.00 C ATOM 1053 C PHE A 64 -25.749 -12.749 11.063 1.00 0.00 C ATOM 1054 O PHE A 64 -24.635 -13.201 10.826 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.819 -11.647 13.177 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.849 -10.487 14.183 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.847 -9.160 13.749 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.862 -10.723 15.561 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.856 -8.114 14.654 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.874 -9.675 16.464 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.872 -8.371 16.010 1.00 0.00 C ATOM 0 H PHE A 64 -27.422 -12.469 13.206 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.795 -10.658 11.514 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -24.927 -12.584 13.724 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.839 -11.668 12.700 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -24.838 -8.947 12.690 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.863 -11.739 15.926 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.850 -7.094 14.299 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.885 -9.877 17.525 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.883 -7.553 16.715 1.00 0.00 H new ATOM 1071 N ALA A 65 -26.870 -13.215 10.463 1.00 0.00 N ATOM 1072 CA ALA A 65 -26.843 -14.256 9.392 1.00 0.00 C ATOM 1073 C ALA A 65 -26.025 -13.785 8.164 1.00 0.00 C ATOM 1074 O ALA A 65 -25.441 -14.594 7.432 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.281 -14.620 8.967 1.00 0.00 C ATOM 0 H ALA A 65 -27.808 -12.890 10.698 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.355 -15.142 9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.248 -15.380 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -28.828 -15.007 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -28.784 -13.731 8.587 1.00 0.00 H new ATOM 1081 N ASN A 66 -25.994 -12.457 7.974 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.277 -11.790 6.873 1.00 0.00 C ATOM 1083 C ASN A 66 -23.752 -11.749 7.138 1.00 0.00 C ATOM 1084 O ASN A 66 -22.954 -11.656 6.200 1.00 0.00 O ATOM 1085 CB ASN A 66 -25.849 -10.354 6.717 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.365 -10.329 6.447 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -27.908 -11.215 5.785 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.059 -9.323 6.978 1.00 0.00 N ATOM 0 H ASN A 66 -26.475 -11.803 8.592 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.424 -12.352 5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -25.639 -9.786 7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.333 -9.851 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.068 -9.272 6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -27.581 -8.604 7.521 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.360 -11.846 8.425 1.00 0.00 N ATOM 1096 CA TYR A 67 -21.958 -11.708 8.873 1.00 0.00 C ATOM 1097 C TYR A 67 -21.466 -13.059 9.428 1.00 0.00 C ATOM 1098 O TYR A 67 -22.116 -13.647 10.295 1.00 0.00 O ATOM 1099 CB TYR A 67 -21.856 -10.614 9.974 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.668 -9.343 9.668 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -22.212 -8.385 8.766 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.900 -9.110 10.279 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.954 -7.253 8.486 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -24.646 -7.978 10.005 1.00 0.00 C ATOM 1105 CZ TYR A 67 -24.168 -7.049 9.108 1.00 0.00 C ATOM 1106 OH TYR A 67 -24.908 -5.923 8.818 1.00 0.00 O ATOM 0 H TYR A 67 -24.012 -12.024 9.189 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.335 -11.414 8.028 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.198 -11.032 10.921 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.809 -10.341 10.105 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.260 -8.529 8.276 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -24.282 -9.833 10.985 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.582 -6.527 7.779 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -25.598 -7.824 10.492 1.00 0.00 H new ATOM 0 HH TYR A 67 -25.737 -5.933 9.341 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.333 -13.558 8.920 1.00 0.00 N ATOM 1117 CA LYS A 68 -19.759 -14.838 9.374 1.00 0.00 C ATOM 1118 C LYS A 68 -19.160 -14.685 10.786 1.00 0.00 C ATOM 1119 O LYS A 68 -17.985 -14.332 10.945 1.00 0.00 O ATOM 1120 CB LYS A 68 -18.718 -15.371 8.339 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.293 -16.176 7.120 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.389 -15.442 6.281 1.00 0.00 C ATOM 1123 CE LYS A 68 -21.833 -15.678 6.794 1.00 0.00 C ATOM 1124 NZ LYS A 68 -22.847 -14.932 6.006 1.00 0.00 N ATOM 0 H LYS A 68 -19.791 -13.095 8.191 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.552 -15.583 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.155 -14.521 7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.009 -16.010 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.467 -16.436 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.711 -17.112 7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.182 -14.372 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.323 -15.774 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -22.059 -16.744 6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.897 -15.377 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.721 -14.840 6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.481 -13.986 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -23.050 -15.447 5.126 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.018 -14.885 11.810 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.594 -14.875 13.216 1.00 0.00 C ATOM 1140 C VAL A 69 -18.876 -16.189 13.535 1.00 0.00 C ATOM 1141 O VAL A 69 -19.349 -17.267 13.159 1.00 0.00 O ATOM 1142 CB VAL A 69 -20.770 -14.664 14.241 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -20.211 -14.416 15.674 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -21.723 -13.523 13.801 1.00 0.00 C ATOM 0 H VAL A 69 -21.015 -15.056 11.681 1.00 0.00 H new ATOM 0 HA VAL A 69 -18.930 -14.018 13.331 1.00 0.00 H new ATOM 0 HB VAL A 69 -21.361 -15.580 14.259 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -21.039 -14.272 16.368 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.620 -15.276 15.988 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.582 -13.526 15.670 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -22.520 -13.411 14.536 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.164 -12.590 13.727 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.156 -13.765 12.830 1.00 0.00 H new ATOM 1154 N VAL A 70 -17.738 -16.077 14.219 1.00 0.00 N ATOM 1155 CA VAL A 70 -16.868 -17.195 14.569 1.00 0.00 C ATOM 1156 C VAL A 70 -16.421 -17.059 16.029 1.00 0.00 C ATOM 1157 O VAL A 70 -16.728 -16.067 16.704 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.599 -17.261 13.624 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -15.999 -17.511 12.154 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.735 -15.976 13.753 1.00 0.00 C ATOM 0 H VAL A 70 -17.387 -15.180 14.554 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.432 -18.118 14.437 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.995 -18.108 13.950 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.103 -17.550 11.535 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.534 -18.458 12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.643 -16.702 11.809 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.871 -16.051 13.093 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.331 -15.107 13.474 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.396 -15.868 14.783 1.00 0.00 H new ATOM 1170 N SER A 71 -15.720 -18.083 16.507 1.00 0.00 N ATOM 1171 CA SER A 71 -15.055 -18.075 17.815 1.00 0.00 C ATOM 1172 C SER A 71 -13.650 -17.437 17.648 1.00 0.00 C ATOM 1173 O SER A 71 -13.084 -17.503 16.540 1.00 0.00 O ATOM 1174 CB SER A 71 -14.964 -19.534 18.342 1.00 0.00 C ATOM 1175 OG SER A 71 -14.600 -19.592 19.713 1.00 0.00 O ATOM 0 H SER A 71 -15.594 -18.955 15.993 1.00 0.00 H new ATOM 0 HA SER A 71 -15.617 -17.488 18.541 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.925 -20.028 18.203 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.233 -20.086 17.751 1.00 0.00 H new ATOM 0 HG SER A 71 -13.702 -19.975 19.797 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.054 -16.791 18.718 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.687 -16.192 18.647 1.00 0.00 C ATOM 1183 C PRO A 72 -10.603 -17.204 18.226 1.00 0.00 C ATOM 1184 O PRO A 72 -9.570 -16.810 17.687 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.439 -15.662 20.092 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.452 -16.365 20.940 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.657 -16.553 20.056 1.00 0.00 C ATOM 0 HA PRO A 72 -11.630 -15.414 17.886 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.425 -15.882 20.425 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.564 -14.580 20.143 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.071 -17.323 21.293 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.701 -15.776 21.823 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.268 -17.396 20.380 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.301 -15.673 20.058 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.883 -18.501 18.456 1.00 0.00 N ATOM 1196 CA ASP A 73 -9.985 -19.617 18.095 1.00 0.00 C ATOM 1197 C ASP A 73 -9.684 -19.659 16.583 1.00 0.00 C ATOM 1198 O ASP A 73 -8.648 -20.185 16.193 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.604 -20.968 18.515 1.00 0.00 C ATOM 1200 CG ASP A 73 -10.893 -21.067 20.016 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -10.007 -21.501 20.780 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -12.013 -20.704 20.438 1.00 0.00 O ATOM 0 H ASP A 73 -11.748 -18.808 18.902 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.050 -19.448 18.629 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.532 -21.121 17.964 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.927 -21.773 18.229 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.603 -19.131 15.738 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.352 -19.015 14.279 1.00 0.00 C ATOM 1209 C TRP A 74 -9.134 -18.113 14.028 1.00 0.00 C ATOM 1210 O TRP A 74 -8.263 -18.449 13.232 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.591 -18.464 13.507 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.369 -18.339 12.002 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.013 -19.345 11.139 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.471 -17.153 11.190 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -10.878 -18.856 9.865 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.152 -17.519 9.867 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.798 -15.820 11.457 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.154 -16.603 8.816 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.800 -14.910 10.413 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.477 -15.305 9.105 1.00 0.00 C ATOM 0 H TRP A 74 -11.514 -18.782 16.036 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.154 -20.018 13.902 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.442 -19.121 13.687 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.853 -17.486 13.909 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.861 -20.376 11.423 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.615 -19.404 9.046 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.045 -15.505 12.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.909 -16.907 7.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.054 -13.879 10.608 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.484 -14.571 8.313 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.086 -16.990 14.756 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.050 -15.954 14.595 1.00 0.00 C ATOM 1233 C ILE A 75 -6.742 -16.455 15.235 1.00 0.00 C ATOM 1234 O ILE A 75 -5.705 -16.502 14.579 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.477 -14.559 15.229 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.782 -13.981 14.569 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.326 -13.522 15.129 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -11.059 -14.727 14.897 1.00 0.00 C ATOM 0 H ILE A 75 -9.770 -16.770 15.480 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.909 -15.779 13.528 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.691 -14.748 16.281 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.897 -12.943 14.880 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.651 -13.977 13.487 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.647 -12.578 15.570 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.453 -13.895 15.665 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.069 -13.364 14.082 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.899 -14.249 14.393 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.974 -15.760 14.560 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.224 -14.710 15.974 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.852 -16.882 16.505 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.722 -17.363 17.327 1.00 0.00 C ATOM 1252 C VAL A 76 -4.968 -18.505 16.621 1.00 0.00 C ATOM 1253 O VAL A 76 -3.760 -18.414 16.387 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.247 -17.867 18.735 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -5.120 -18.494 19.595 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.948 -16.722 19.503 1.00 0.00 C ATOM 0 H VAL A 76 -7.744 -16.904 17.000 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.034 -16.530 17.470 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.975 -18.654 18.539 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.531 -18.823 20.549 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.694 -19.348 19.069 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.342 -17.752 19.772 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.300 -17.092 20.466 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.243 -15.906 19.663 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.796 -16.360 18.922 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.724 -19.540 16.229 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.151 -20.776 15.677 1.00 0.00 C ATOM 1268 C ASP A 77 -4.620 -20.564 14.251 1.00 0.00 C ATOM 1269 O ASP A 77 -3.561 -21.083 13.928 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.171 -21.950 15.740 1.00 0.00 C ATOM 1271 CG ASP A 77 -5.569 -23.323 15.371 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -4.448 -23.630 15.827 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.229 -24.099 14.650 1.00 0.00 O ATOM 0 H ASP A 77 -6.742 -19.545 16.285 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.300 -21.049 16.300 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.585 -22.005 16.747 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.000 -21.735 15.066 1.00 0.00 H new ATOM 1278 N SER A 78 -5.341 -19.772 13.416 1.00 0.00 N ATOM 1279 CA SER A 78 -4.911 -19.505 12.018 1.00 0.00 C ATOM 1280 C SER A 78 -3.541 -18.816 11.999 1.00 0.00 C ATOM 1281 O SER A 78 -2.675 -19.152 11.190 1.00 0.00 O ATOM 1282 CB SER A 78 -5.945 -18.641 11.258 1.00 0.00 C ATOM 1283 OG SER A 78 -6.059 -17.342 11.818 1.00 0.00 O ATOM 0 H SER A 78 -6.212 -19.312 13.682 1.00 0.00 H new ATOM 0 HA SER A 78 -4.836 -20.467 11.511 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.653 -18.561 10.211 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.917 -19.133 11.281 1.00 0.00 H new ATOM 0 HG SER A 78 -6.813 -17.321 12.444 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.366 -17.861 12.925 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.113 -17.124 13.113 1.00 0.00 C ATOM 1291 C VAL A 79 -0.976 -18.068 13.574 1.00 0.00 C ATOM 1292 O VAL A 79 0.147 -17.985 13.055 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.330 -15.931 14.121 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -1.008 -15.245 14.513 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.318 -14.895 13.525 1.00 0.00 C ATOM 0 H VAL A 79 -4.102 -17.577 13.571 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.808 -16.702 12.155 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.755 -16.354 15.032 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.213 -14.431 15.208 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.348 -15.971 14.988 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.526 -14.847 13.620 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.458 -14.077 14.232 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.915 -14.503 12.592 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.277 -15.376 13.332 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.284 -18.994 14.508 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.298 -19.991 15.004 1.00 0.00 C ATOM 1307 C LYS A 80 0.087 -21.004 13.899 1.00 0.00 C ATOM 1308 O LYS A 80 1.200 -21.532 13.900 1.00 0.00 O ATOM 1309 CB LYS A 80 -0.838 -20.753 16.246 1.00 0.00 C ATOM 1310 CG LYS A 80 -1.121 -19.877 17.486 1.00 0.00 C ATOM 1311 CD LYS A 80 -1.519 -20.690 18.753 1.00 0.00 C ATOM 1312 CE LYS A 80 -2.810 -21.533 18.603 1.00 0.00 C ATOM 1313 NZ LYS A 80 -2.615 -22.809 17.845 1.00 0.00 N ATOM 0 H LYS A 80 -2.206 -19.075 14.936 1.00 0.00 H new ATOM 0 HA LYS A 80 0.594 -19.435 15.295 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.758 -21.265 15.966 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.117 -21.522 16.522 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.234 -19.284 17.710 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.922 -19.176 17.249 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.696 -21.355 19.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.648 -19.999 19.586 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.197 -21.766 19.595 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.567 -20.934 18.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.236 -22.816 17.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.624 -22.883 17.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.849 -23.616 18.458 1.00 0.00 H new ATOM 1327 N GLU A 81 -0.846 -21.272 12.972 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.622 -22.182 11.829 1.00 0.00 C ATOM 1329 C GLU A 81 -0.065 -21.412 10.612 1.00 0.00 C ATOM 1330 O GLU A 81 0.416 -22.030 9.654 1.00 0.00 O ATOM 1331 CB GLU A 81 -1.947 -22.896 11.450 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.580 -23.753 12.570 1.00 0.00 C ATOM 1333 CD GLU A 81 -1.651 -24.863 13.087 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -1.541 -25.918 12.419 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.019 -24.689 14.157 1.00 0.00 O ATOM 0 H GLU A 81 -1.781 -20.864 12.991 1.00 0.00 H new ATOM 0 HA GLU A 81 0.114 -22.929 12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.670 -22.142 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.762 -23.535 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.857 -23.105 13.401 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.500 -24.203 12.197 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.162 -20.056 10.669 1.00 0.00 N ATOM 1343 CA ALA A 82 0.249 -19.122 9.588 1.00 0.00 C ATOM 1344 C ALA A 82 -0.516 -19.395 8.262 1.00 0.00 C ATOM 1345 O ALA A 82 -0.033 -19.053 7.173 1.00 0.00 O ATOM 1346 CB ALA A 82 1.786 -19.151 9.396 1.00 0.00 C ATOM 0 H ALA A 82 -0.536 -19.573 11.486 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.025 -18.113 9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.066 -18.461 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.274 -18.853 10.324 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.100 -20.160 9.128 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.747 -19.950 8.378 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.556 -20.402 7.217 1.00 0.00 C ATOM 1354 C ARG A 83 -4.042 -20.014 7.392 1.00 0.00 C ATOM 1355 O ARG A 83 -4.478 -19.681 8.496 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.432 -21.945 7.054 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.273 -22.768 8.060 1.00 0.00 C ATOM 1358 CD ARG A 83 -3.112 -24.284 7.894 1.00 0.00 C ATOM 1359 NE ARG A 83 -1.748 -24.744 8.210 1.00 0.00 N ATOM 1360 CZ ARG A 83 -1.333 -26.019 8.130 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -2.128 -26.968 7.645 1.00 0.00 N ATOM 1362 NH2 ARG A 83 -0.105 -26.333 8.504 1.00 0.00 N ATOM 0 H ARG A 83 -2.207 -20.097 9.276 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.175 -19.909 6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.733 -22.216 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.384 -22.226 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.987 -22.489 9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.325 -22.507 7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.824 -24.795 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.358 -24.562 6.869 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.070 -24.044 8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.068 -26.732 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.798 -27.932 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.523 -25.609 8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.215 -27.300 8.445 1.00 0.00 H new ATOM 1376 N LEU A 84 -4.810 -20.095 6.289 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.271 -19.884 6.291 1.00 0.00 C ATOM 1378 C LEU A 84 -6.956 -21.153 6.850 1.00 0.00 C ATOM 1379 O LEU A 84 -6.606 -22.273 6.464 1.00 0.00 O ATOM 1380 CB LEU A 84 -6.746 -19.548 4.836 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.229 -19.061 4.607 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -9.262 -20.212 4.612 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -8.625 -17.951 5.608 1.00 0.00 C ATOM 0 H LEU A 84 -4.433 -20.310 5.366 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.544 -19.044 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.083 -18.777 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.595 -20.439 4.227 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.249 -18.638 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.260 -19.806 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.024 -20.918 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.231 -20.724 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.653 -17.641 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.542 -18.332 6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.960 -17.096 5.485 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.922 -20.969 7.770 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.696 -22.080 8.383 1.00 0.00 C ATOM 1397 C LEU A 85 -10.179 -22.002 7.971 1.00 0.00 C ATOM 1398 O LEU A 85 -10.668 -20.908 7.645 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.588 -22.035 9.931 1.00 0.00 C ATOM 1400 CG LEU A 85 -7.174 -22.273 10.543 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -7.255 -22.309 12.078 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -6.513 -23.555 9.985 1.00 0.00 C ATOM 0 H LEU A 85 -8.192 -20.047 8.113 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.274 -23.018 8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.945 -21.062 10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.266 -22.783 10.341 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.538 -21.437 10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.260 -22.476 12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.645 -21.359 12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.917 -23.117 12.389 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.530 -23.684 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.136 -24.418 10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.407 -23.468 8.904 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.924 -23.161 7.981 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.387 -23.160 7.774 1.00 0.00 C ATOM 1416 C PRO A 86 -13.107 -22.447 8.943 1.00 0.00 C ATOM 1417 O PRO A 86 -13.182 -22.971 10.062 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.747 -24.675 7.696 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.658 -25.356 8.466 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.407 -24.554 8.169 1.00 0.00 C ATOM 0 HA PRO A 86 -12.698 -22.619 6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.726 -24.874 8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.781 -25.023 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.876 -25.366 9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.544 -26.394 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.690 -24.609 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.899 -24.918 7.276 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.589 -21.220 8.678 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.361 -20.431 9.652 1.00 0.00 C ATOM 1430 C TRP A 87 -15.725 -21.085 9.959 1.00 0.00 C ATOM 1431 O TRP A 87 -16.320 -20.818 11.000 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.510 -18.959 9.183 1.00 0.00 C ATOM 1433 CG TRP A 87 -15.130 -18.755 7.818 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -16.463 -18.745 7.500 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -14.427 -18.503 6.595 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -16.624 -18.502 6.162 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -15.393 -18.351 5.584 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -13.073 -18.388 6.262 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -15.049 -18.095 4.258 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -12.731 -18.134 4.946 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -13.717 -17.984 3.959 1.00 0.00 C ATOM 0 H TRP A 87 -13.454 -20.749 7.784 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.804 -20.417 10.589 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.113 -18.424 9.917 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.523 -18.497 9.184 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -17.268 -18.905 8.202 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.518 -18.443 5.675 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -12.309 -18.496 7.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -15.805 -17.988 3.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -11.689 -18.050 4.674 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -13.419 -17.777 2.942 1.00 0.00 H new ATOM 1452 N GLN A 88 -16.201 -21.938 9.025 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.428 -22.751 9.201 1.00 0.00 C ATOM 1454 C GLN A 88 -17.286 -23.744 10.382 1.00 0.00 C ATOM 1455 O GLN A 88 -18.284 -24.103 11.013 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.768 -23.514 7.888 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.656 -24.472 7.393 1.00 0.00 C ATOM 1458 CD GLN A 88 -17.031 -25.277 6.145 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -17.808 -24.821 5.310 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.472 -26.471 6.006 1.00 0.00 N ATOM 0 H GLN A 88 -15.744 -22.083 8.125 1.00 0.00 H new ATOM 0 HA GLN A 88 -18.247 -22.070 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.682 -24.088 8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.978 -22.786 7.104 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.759 -23.890 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.404 -25.164 8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.831 -26.820 6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.683 -27.041 5.187 1.00 0.00 H new ATOM 1469 N ASN A 89 -16.035 -24.184 10.661 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.723 -25.050 11.818 1.00 0.00 C ATOM 1471 C ASN A 89 -15.924 -24.265 13.131 1.00 0.00 C ATOM 1472 O ASN A 89 -16.488 -24.778 14.104 1.00 0.00 O ATOM 1473 CB ASN A 89 -14.260 -25.581 11.719 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.852 -26.513 12.873 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.666 -27.278 13.395 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.588 -26.447 13.288 1.00 0.00 N ATOM 0 H ASN A 89 -15.221 -23.949 10.093 1.00 0.00 H new ATOM 0 HA ASN A 89 -16.399 -25.905 11.812 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -14.141 -26.114 10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.577 -24.732 11.693 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.272 -27.039 14.056 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.936 -25.805 12.837 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.483 -22.996 13.117 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.508 -22.106 14.298 1.00 0.00 C ATOM 1485 C TYR A 90 -16.791 -21.243 14.348 1.00 0.00 C ATOM 1486 O TYR A 90 -16.935 -20.401 15.236 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.248 -21.201 14.280 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.920 -21.981 14.345 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.443 -22.487 15.559 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.141 -22.206 13.203 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.247 -23.181 15.633 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -10.944 -22.902 13.275 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.500 -23.387 14.494 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.309 -24.081 14.568 1.00 0.00 O ATOM 0 H TYR A 90 -15.096 -22.553 12.283 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.508 -22.727 15.194 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.259 -20.597 13.373 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.295 -20.512 15.123 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.020 -22.333 16.459 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.479 -21.830 12.249 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.900 -23.560 16.583 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.359 -23.066 12.382 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.150 -24.548 13.722 1.00 0.00 H new ATOM 1504 N SER A 91 -17.718 -21.484 13.406 1.00 0.00 N ATOM 1505 CA SER A 91 -18.916 -20.646 13.195 1.00 0.00 C ATOM 1506 C SER A 91 -19.859 -20.615 14.415 1.00 0.00 C ATOM 1507 O SER A 91 -20.334 -21.659 14.882 1.00 0.00 O ATOM 1508 CB SER A 91 -19.686 -21.138 11.950 1.00 0.00 C ATOM 1509 OG SER A 91 -20.874 -20.392 11.731 1.00 0.00 O ATOM 0 H SER A 91 -17.659 -22.273 12.762 1.00 0.00 H new ATOM 0 HA SER A 91 -18.564 -19.626 13.044 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.043 -21.062 11.073 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.937 -22.192 12.072 1.00 0.00 H new ATOM 0 HG SER A 91 -21.332 -20.732 10.934 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.092 -19.397 14.932 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.106 -19.125 15.959 1.00 0.00 C ATOM 1517 C LEU A 92 -22.321 -18.390 15.348 1.00 0.00 C ATOM 1518 O LEU A 92 -23.261 -18.065 16.068 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.483 -18.299 17.114 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.291 -18.969 17.878 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -18.783 -18.057 19.009 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.670 -20.370 18.419 1.00 0.00 C ATOM 0 H LEU A 92 -19.575 -18.566 14.644 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.459 -20.074 16.362 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.139 -17.348 16.708 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.268 -18.072 17.835 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.480 -19.108 17.163 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -17.955 -18.544 19.525 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -18.442 -17.111 18.588 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -19.591 -17.869 19.716 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.817 -20.801 18.942 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.510 -20.279 19.108 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.951 -21.017 17.588 1.00 0.00 H new ATOM 1534 N THR A 93 -22.279 -18.114 14.020 1.00 0.00 N ATOM 1535 CA THR A 93 -23.440 -17.556 13.273 1.00 0.00 C ATOM 1536 C THR A 93 -24.407 -18.687 12.852 1.00 0.00 C ATOM 1537 O THR A 93 -25.564 -18.433 12.500 1.00 0.00 O ATOM 1538 CB THR A 93 -22.984 -16.726 12.013 1.00 0.00 C ATOM 1539 OG1 THR A 93 -24.110 -16.100 11.380 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.224 -17.571 10.974 1.00 0.00 C ATOM 0 H THR A 93 -21.453 -18.268 13.442 1.00 0.00 H new ATOM 0 HA THR A 93 -23.962 -16.874 13.944 1.00 0.00 H new ATOM 0 HB THR A 93 -22.296 -15.968 12.388 1.00 0.00 H new ATOM 0 HG1 THR A 93 -23.966 -15.131 11.340 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.938 -16.941 10.132 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.329 -17.993 11.432 1.00 0.00 H new ATOM 0 HG23 THR A 93 -22.866 -18.378 10.622 1.00 0.00 H new ATOM 1548 N SER A 94 -23.919 -19.936 12.915 1.00 0.00 N ATOM 1549 CA SER A 94 -24.679 -21.129 12.533 1.00 0.00 C ATOM 1550 C SER A 94 -24.279 -22.293 13.475 1.00 0.00 C ATOM 1551 O SER A 94 -25.038 -22.602 14.422 1.00 0.00 O ATOM 1552 CB SER A 94 -24.399 -21.452 11.039 1.00 0.00 C ATOM 1553 OG SER A 94 -25.203 -22.521 10.567 1.00 0.00 O ATOM 1554 OXT SER A 94 -23.173 -22.856 13.297 1.00 0.00 O ATOM 0 H SER A 94 -22.974 -20.145 13.237 1.00 0.00 H new ATOM 0 HA SER A 94 -25.752 -20.967 12.637 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.585 -20.564 10.435 1.00 0.00 H new ATOM 0 HB3 SER A 94 -23.347 -21.707 10.914 1.00 0.00 H new ATOM 0 HG SER A 94 -24.999 -22.692 9.624 1.00 0.00 H new