USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 956 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 45 GLN : amide:sc= -8.74! C(o=-8.7!,f=-3.7!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= -0.921 (180deg=-2.95!) USER MOD Single : A 14 ASN : amide:sc= -6.57! C(o=-6.6!,f=-1.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 66:sc= -3.15! USER MOD Single : A 25 CYS SG : rot 72:sc= 0.151 USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= -0.0367 (180deg=-0.746) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 37 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.039) USER MOD Single : A 41 GLN : amide:sc= 0.375 K(o=0.37,f=-3.6!) USER MOD Single : A 42 THR OG1 : rot 98:sc= 1.34 USER MOD Single : A 46 ASN : amide:sc= -9.8! C(o=-9.8!,f=-26!) USER MOD Single : A 48 CYS SG : rot -172:sc= -6.1! USER MOD Single : A 53 SER OG : rot 89:sc= 0.54! USER MOD Single : A 60 THR OG1 : rot -100:sc= -0.0469 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 63 ASN : amide:sc= -2.96! K(o=-3!,f=-1) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -109:sc= -2.45 (180deg=-5.48!) USER MOD Single : A 101 MET CE :methyl -126:sc= -1.76 (180deg=-7.74!) USER MOD Single : A 104 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.21) USER MOD Single : A 107 CYS SG : rot -144:sc= -12.9! USER MOD Single : A 111 LYS NZ :NH3+ -175:sc= -1.28 (180deg=-1.36) USER MOD Single : A 117 HIS : no HD1:sc= -2.07 K(o=-2.1,f=0.012) USER MOD Single : A 122 MET CE :methyl -109:sc= -0.456 (180deg=-3.5!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 134 GLN : amide:sc= -4.91! C(o=-4.9!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -3.315 -23.389 -2.866 1.00 0.00 N ATOM 112 CA LYS A 11 -2.154 -22.556 -3.274 1.00 0.00 C ATOM 113 C LYS A 11 -1.643 -21.775 -2.056 1.00 0.00 C ATOM 114 O LYS A 11 -0.457 -21.637 -1.839 1.00 0.00 O ATOM 115 CB LYS A 11 -2.553 -21.607 -4.422 1.00 0.00 C ATOM 116 CG LYS A 11 -3.319 -20.374 -3.900 1.00 0.00 C ATOM 117 CD LYS A 11 -3.901 -19.593 -5.091 1.00 0.00 C ATOM 118 CE LYS A 11 -4.343 -18.191 -4.642 1.00 0.00 C ATOM 119 NZ LYS A 11 -4.919 -17.453 -5.806 1.00 0.00 N ATOM 0 HA LYS A 11 -1.352 -23.196 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.659 -21.282 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.173 -22.144 -5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.120 -20.686 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.651 -19.735 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.155 -19.511 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.750 -20.133 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.083 -18.269 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.493 -17.643 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.766 -16.432 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.453 -17.767 -6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.939 -17.645 -5.868 1.00 0.00 H new ATOM 133 N PHE A 12 -2.526 -21.275 -1.252 1.00 0.00 N ATOM 134 CA PHE A 12 -2.092 -20.500 -0.058 1.00 0.00 C ATOM 135 C PHE A 12 -1.215 -21.342 0.877 1.00 0.00 C ATOM 136 O PHE A 12 -0.194 -20.885 1.355 1.00 0.00 O ATOM 137 CB PHE A 12 -3.353 -20.031 0.684 1.00 0.00 C ATOM 138 CG PHE A 12 -2.988 -19.323 1.971 1.00 0.00 C ATOM 139 CD1 PHE A 12 -2.628 -20.077 3.095 1.00 0.00 C ATOM 140 CD2 PHE A 12 -3.025 -17.920 2.053 1.00 0.00 C ATOM 141 CE1 PHE A 12 -2.301 -19.434 4.295 1.00 0.00 C ATOM 142 CE2 PHE A 12 -2.697 -17.282 3.255 1.00 0.00 C ATOM 143 CZ PHE A 12 -2.333 -18.037 4.373 1.00 0.00 C ATOM 0 H PHE A 12 -3.535 -21.367 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.491 -19.650 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.928 -19.360 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.991 -20.887 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.603 -21.155 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.306 -17.335 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.024 -20.017 5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.725 -16.204 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.076 -17.542 5.298 1.00 0.00 H new ATOM 153 N GLU A 13 -1.605 -22.545 1.177 1.00 0.00 N ATOM 154 CA GLU A 13 -0.787 -23.358 2.118 1.00 0.00 C ATOM 155 C GLU A 13 0.533 -23.856 1.502 1.00 0.00 C ATOM 156 O GLU A 13 1.452 -24.175 2.230 1.00 0.00 O ATOM 157 CB GLU A 13 -1.620 -24.542 2.613 1.00 0.00 C ATOM 158 CG GLU A 13 -1.847 -25.550 1.480 1.00 0.00 C ATOM 159 CD GLU A 13 -2.692 -26.717 2.001 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.110 -27.649 2.528 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.903 -26.659 1.860 1.00 0.00 O ATOM 0 H GLU A 13 -2.445 -22.999 0.817 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.509 -22.711 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.112 -25.029 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.579 -24.187 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.351 -25.066 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.891 -25.917 1.107 1.00 0.00 H new ATOM 168 N ASN A 14 0.642 -23.978 0.189 1.00 0.00 N ATOM 169 CA ASN A 14 1.924 -24.520 -0.399 1.00 0.00 C ATOM 170 C ASN A 14 2.428 -23.728 -1.617 1.00 0.00 C ATOM 171 O ASN A 14 3.361 -24.157 -2.271 1.00 0.00 O ATOM 172 CB ASN A 14 1.679 -25.971 -0.820 1.00 0.00 C ATOM 173 CG ASN A 14 0.762 -26.022 -2.053 1.00 0.00 C ATOM 174 OD1 ASN A 14 0.527 -27.084 -2.598 1.00 0.00 O ATOM 175 ND2 ASN A 14 0.234 -24.922 -2.524 1.00 0.00 N ATOM 0 H ASN A 14 -0.082 -23.732 -0.486 1.00 0.00 H new ATOM 0 HA ASN A 14 2.694 -24.436 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.629 -26.457 -1.044 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.225 -26.524 0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.371 -24.957 -3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.428 -24.029 -2.071 1.00 0.00 H new ATOM 182 N GLU A 15 1.868 -22.596 -1.947 1.00 0.00 N ATOM 183 CA GLU A 15 2.394 -21.848 -3.139 1.00 0.00 C ATOM 184 C GLU A 15 3.623 -21.007 -2.743 1.00 0.00 C ATOM 185 O GLU A 15 3.560 -20.142 -1.890 1.00 0.00 O ATOM 186 CB GLU A 15 1.301 -20.954 -3.729 1.00 0.00 C ATOM 187 CG GLU A 15 1.773 -20.390 -5.077 1.00 0.00 C ATOM 188 CD GLU A 15 1.710 -21.480 -6.148 1.00 0.00 C ATOM 189 OE1 GLU A 15 0.674 -22.115 -6.256 1.00 0.00 O ATOM 190 OE2 GLU A 15 2.697 -21.662 -6.843 1.00 0.00 O ATOM 0 H GLU A 15 1.086 -22.159 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 15 2.698 -22.569 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.382 -21.525 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.072 -20.139 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.147 -19.546 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.792 -20.015 -4.987 1.00 0.00 H new ATOM 197 N GLU A 16 4.741 -21.279 -3.372 1.00 0.00 N ATOM 198 CA GLU A 16 6.021 -20.546 -3.081 1.00 0.00 C ATOM 199 C GLU A 16 5.959 -19.065 -3.509 1.00 0.00 C ATOM 200 O GLU A 16 6.797 -18.272 -3.131 1.00 0.00 O ATOM 201 CB GLU A 16 7.176 -21.240 -3.826 1.00 0.00 C ATOM 202 CG GLU A 16 7.038 -21.012 -5.341 1.00 0.00 C ATOM 203 CD GLU A 16 8.016 -21.926 -6.095 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.988 -22.349 -5.494 1.00 0.00 O ATOM 205 OE2 GLU A 16 7.778 -22.188 -7.267 1.00 0.00 O ATOM 0 H GLU A 16 4.825 -21.996 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 16 6.181 -20.570 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.132 -20.849 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.170 -22.308 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.016 -21.218 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.242 -19.969 -5.581 1.00 0.00 H new ATOM 212 N PHE A 17 5.010 -18.692 -4.316 1.00 0.00 N ATOM 213 CA PHE A 17 4.930 -17.270 -4.799 1.00 0.00 C ATOM 214 C PHE A 17 4.939 -16.271 -3.635 1.00 0.00 C ATOM 215 O PHE A 17 5.182 -15.098 -3.838 1.00 0.00 O ATOM 216 CB PHE A 17 3.651 -17.115 -5.663 1.00 0.00 C ATOM 217 CG PHE A 17 3.102 -15.695 -5.633 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.883 -14.623 -6.075 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.804 -15.459 -5.158 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.370 -13.319 -6.040 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.292 -14.161 -5.124 1.00 0.00 C ATOM 222 CZ PHE A 17 2.072 -13.090 -5.563 1.00 0.00 C ATOM 0 H PHE A 17 4.277 -19.307 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 17 5.811 -17.046 -5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.875 -17.394 -6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.887 -17.805 -5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.883 -14.800 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.198 -16.285 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.974 -12.491 -6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.291 -13.985 -4.758 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.676 -12.086 -5.535 1.00 0.00 H new ATOM 232 N PHE A 18 4.664 -16.686 -2.437 1.00 0.00 N ATOM 233 CA PHE A 18 4.658 -15.694 -1.321 1.00 0.00 C ATOM 234 C PHE A 18 6.089 -15.339 -0.890 1.00 0.00 C ATOM 235 O PHE A 18 6.488 -14.192 -0.943 1.00 0.00 O ATOM 236 CB PHE A 18 3.885 -16.268 -0.130 1.00 0.00 C ATOM 237 CG PHE A 18 2.546 -16.770 -0.613 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.647 -15.889 -1.236 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.201 -18.115 -0.445 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.411 -16.356 -1.688 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.965 -18.582 -0.896 1.00 0.00 C ATOM 242 CZ PHE A 18 0.068 -17.700 -1.521 1.00 0.00 C ATOM 0 H PHE A 18 4.446 -17.648 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 18 4.172 -14.783 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.449 -17.080 0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.748 -15.503 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.912 -14.850 -1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.892 -18.793 0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.280 -15.678 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.699 -19.620 -0.764 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.887 -18.061 -1.873 1.00 0.00 H new ATOM 252 N ARG A 19 6.860 -16.297 -0.460 1.00 0.00 N ATOM 253 CA ARG A 19 8.255 -15.991 -0.033 1.00 0.00 C ATOM 254 C ARG A 19 9.052 -15.413 -1.204 1.00 0.00 C ATOM 255 O ARG A 19 9.909 -14.572 -1.021 1.00 0.00 O ATOM 256 CB ARG A 19 8.945 -17.259 0.532 1.00 0.00 C ATOM 257 CG ARG A 19 8.353 -18.522 -0.115 1.00 0.00 C ATOM 258 CD ARG A 19 7.153 -19.012 0.703 1.00 0.00 C ATOM 259 NE ARG A 19 7.632 -19.828 1.850 1.00 0.00 N ATOM 260 CZ ARG A 19 6.816 -20.075 2.835 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.581 -19.664 2.764 1.00 0.00 N ATOM 262 NH2 ARG A 19 7.221 -20.740 3.878 1.00 0.00 N ATOM 0 H ARG A 19 6.587 -17.277 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 19 8.220 -15.245 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.017 -17.213 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.815 -17.301 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.044 -18.307 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.111 -19.303 -0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.575 -18.162 1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.489 -19.605 0.074 1.00 0.00 H new ATOM 0 HE ARG A 19 8.586 -20.189 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.260 -19.153 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.936 -19.853 3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.184 -21.072 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.575 -20.929 4.645 1.00 0.00 H new ATOM 276 N LYS A 20 8.805 -15.869 -2.405 1.00 0.00 N ATOM 277 CA LYS A 20 9.589 -15.341 -3.556 1.00 0.00 C ATOM 278 C LYS A 20 9.341 -13.834 -3.751 1.00 0.00 C ATOM 279 O LYS A 20 10.251 -13.104 -4.093 1.00 0.00 O ATOM 280 CB LYS A 20 9.220 -16.106 -4.830 1.00 0.00 C ATOM 281 CG LYS A 20 9.521 -17.601 -4.653 1.00 0.00 C ATOM 282 CD LYS A 20 11.034 -17.863 -4.604 1.00 0.00 C ATOM 283 CE LYS A 20 11.282 -19.361 -4.800 1.00 0.00 C ATOM 284 NZ LYS A 20 12.673 -19.700 -4.391 1.00 0.00 N ATOM 0 H LYS A 20 8.104 -16.574 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 20 10.649 -15.483 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.163 -15.964 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.782 -15.711 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.057 -17.961 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.079 -18.163 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.541 -17.292 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.443 -17.535 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.569 -19.937 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.124 -19.632 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.836 -20.718 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.347 -19.161 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.809 -19.458 -3.389 1.00 0.00 H new ATOM 298 N LEU A 21 8.131 -13.353 -3.548 1.00 0.00 N ATOM 299 CA LEU A 21 7.861 -11.884 -3.741 1.00 0.00 C ATOM 300 C LEU A 21 7.177 -11.297 -2.509 1.00 0.00 C ATOM 301 O LEU A 21 7.473 -10.191 -2.096 1.00 0.00 O ATOM 302 CB LEU A 21 6.962 -11.692 -4.971 1.00 0.00 C ATOM 303 CG LEU A 21 7.772 -11.908 -6.262 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.798 -12.083 -7.428 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.670 -10.690 -6.559 1.00 0.00 C ATOM 0 H LEU A 21 7.325 -13.908 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 21 8.809 -11.367 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.129 -12.394 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.535 -10.689 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 21 8.400 -12.790 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.358 -12.237 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.160 -12.947 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.181 -11.190 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.232 -10.867 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.050 -9.802 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.364 -10.539 -5.732 1.00 0.00 H new ATOM 317 N SER A 22 6.267 -12.008 -1.913 1.00 0.00 N ATOM 318 CA SER A 22 5.585 -11.451 -0.716 1.00 0.00 C ATOM 319 C SER A 22 6.536 -11.482 0.473 1.00 0.00 C ATOM 320 O SER A 22 6.330 -12.191 1.435 1.00 0.00 O ATOM 321 CB SER A 22 4.325 -12.255 -0.401 1.00 0.00 C ATOM 322 OG SER A 22 4.664 -13.411 0.351 1.00 0.00 O ATOM 0 H SER A 22 5.968 -12.941 -2.198 1.00 0.00 H new ATOM 0 HA SER A 22 5.296 -10.420 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.621 -11.640 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.828 -12.546 -1.326 1.00 0.00 H new ATOM 0 HG SER A 22 4.998 -13.142 1.232 1.00 0.00 H new ATOM 328 N ARG A 23 7.574 -10.695 0.409 1.00 0.00 N ATOM 329 CA ARG A 23 8.567 -10.628 1.520 1.00 0.00 C ATOM 330 C ARG A 23 9.065 -9.191 1.641 1.00 0.00 C ATOM 331 O ARG A 23 8.618 -8.307 0.933 1.00 0.00 O ATOM 332 CB ARG A 23 9.746 -11.584 1.239 1.00 0.00 C ATOM 333 CG ARG A 23 9.453 -12.979 1.815 1.00 0.00 C ATOM 334 CD ARG A 23 9.771 -13.038 3.318 1.00 0.00 C ATOM 335 NE ARG A 23 11.174 -12.582 3.575 1.00 0.00 N ATOM 336 CZ ARG A 23 12.201 -13.194 3.046 1.00 0.00 C ATOM 337 NH1 ARG A 23 12.041 -14.303 2.379 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.400 -12.724 3.225 1.00 0.00 N ATOM 0 H ARG A 23 7.780 -10.084 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 23 8.099 -10.934 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.917 -11.655 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.659 -11.185 1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.405 -13.230 1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.045 -13.726 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.071 -12.409 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.640 -14.056 3.684 1.00 0.00 H new ATOM 0 HE ARG A 23 11.332 -11.774 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.108 -14.700 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.848 -14.773 1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.539 -11.878 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.202 -13.201 2.813 1.00 0.00 H new ATOM 352 N GLU A 24 9.969 -8.952 2.545 1.00 0.00 N ATOM 353 CA GLU A 24 10.498 -7.567 2.714 1.00 0.00 C ATOM 354 C GLU A 24 11.178 -7.129 1.414 1.00 0.00 C ATOM 355 O GLU A 24 12.181 -7.687 1.015 1.00 0.00 O ATOM 356 CB GLU A 24 11.497 -7.533 3.877 1.00 0.00 C ATOM 357 CG GLU A 24 12.602 -8.573 3.658 1.00 0.00 C ATOM 358 CD GLU A 24 13.313 -8.856 4.983 1.00 0.00 C ATOM 359 OE1 GLU A 24 12.872 -9.749 5.687 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.283 -8.176 5.273 1.00 0.00 O ATOM 0 H GLU A 24 10.366 -9.650 3.174 1.00 0.00 H new ATOM 0 HA GLU A 24 9.680 -6.883 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.935 -6.538 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.980 -7.733 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.175 -9.493 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.317 -8.208 2.921 1.00 0.00 H new ATOM 367 N CYS A 25 10.634 -6.145 0.735 1.00 0.00 N ATOM 368 CA CYS A 25 11.250 -5.686 -0.552 1.00 0.00 C ATOM 369 C CYS A 25 11.395 -4.167 -0.565 1.00 0.00 C ATOM 370 O CYS A 25 10.650 -3.456 0.078 1.00 0.00 O ATOM 371 CB CYS A 25 10.340 -6.112 -1.689 1.00 0.00 C ATOM 372 SG CYS A 25 10.425 -7.906 -1.871 1.00 0.00 S ATOM 0 H CYS A 25 9.793 -5.641 1.016 1.00 0.00 H new ATOM 0 HA CYS A 25 12.240 -6.128 -0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.315 -5.803 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.643 -5.625 -2.616 1.00 0.00 H new ATOM 0 HG CYS A 25 9.806 -8.473 -0.878 1.00 0.00 H new ATOM 378 N GLU A 26 12.337 -3.662 -1.313 1.00 0.00 N ATOM 379 CA GLU A 26 12.510 -2.187 -1.387 1.00 0.00 C ATOM 380 C GLU A 26 11.320 -1.600 -2.152 1.00 0.00 C ATOM 381 O GLU A 26 10.811 -2.217 -3.067 1.00 0.00 O ATOM 382 CB GLU A 26 13.805 -1.864 -2.129 1.00 0.00 C ATOM 383 CG GLU A 26 15.009 -2.429 -1.360 1.00 0.00 C ATOM 384 CD GLU A 26 15.115 -1.747 0.011 1.00 0.00 C ATOM 385 OE1 GLU A 26 14.834 -0.562 0.088 1.00 0.00 O ATOM 386 OE2 GLU A 26 15.481 -2.420 0.960 1.00 0.00 O ATOM 0 H GLU A 26 12.992 -4.207 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 26 12.558 -1.761 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.773 -2.288 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.909 -0.785 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.899 -3.506 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.924 -2.267 -1.929 1.00 0.00 H new ATOM 393 N ILE A 27 10.856 -0.425 -1.789 1.00 0.00 N ATOM 394 CA ILE A 27 9.683 0.166 -2.512 1.00 0.00 C ATOM 395 C ILE A 27 9.860 1.680 -2.690 1.00 0.00 C ATOM 396 O ILE A 27 10.524 2.343 -1.907 1.00 0.00 O ATOM 397 CB ILE A 27 8.399 -0.094 -1.704 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.348 0.770 -0.422 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.345 -1.560 -1.281 1.00 0.00 C ATOM 400 CD1 ILE A 27 6.968 0.644 0.245 1.00 0.00 C ATOM 0 H ILE A 27 11.234 0.144 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 27 9.613 -0.301 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 27 7.555 0.162 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.126 0.452 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.548 1.813 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.435 -1.740 -0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.349 -2.195 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.213 -1.793 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.942 1.256 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.197 0.984 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.785 -0.398 0.508 1.00 0.00 H new ATOM 412 N LYS A 28 9.210 2.239 -3.678 1.00 0.00 N ATOM 413 CA LYS A 28 9.275 3.715 -3.879 1.00 0.00 C ATOM 414 C LYS A 28 7.923 4.175 -4.421 1.00 0.00 C ATOM 415 O LYS A 28 7.322 3.522 -5.258 1.00 0.00 O ATOM 416 CB LYS A 28 10.377 4.069 -4.888 1.00 0.00 C ATOM 417 CG LYS A 28 10.306 3.107 -6.067 1.00 0.00 C ATOM 418 CD LYS A 28 11.231 3.603 -7.179 1.00 0.00 C ATOM 419 CE LYS A 28 12.684 3.622 -6.679 1.00 0.00 C ATOM 420 NZ LYS A 28 13.614 3.585 -7.841 1.00 0.00 N ATOM 0 H LYS A 28 8.637 1.735 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 28 9.502 4.209 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.254 5.096 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.356 4.008 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.600 2.106 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.282 3.038 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.146 2.955 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.932 4.603 -7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.863 4.519 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.866 2.767 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.506 4.055 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.806 2.596 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.181 4.077 -8.648 1.00 0.00 H new ATOM 434 N TYR A 29 7.448 5.297 -3.956 1.00 0.00 N ATOM 435 CA TYR A 29 6.137 5.818 -4.442 1.00 0.00 C ATOM 436 C TYR A 29 6.248 6.183 -5.925 1.00 0.00 C ATOM 437 O TYR A 29 7.279 6.629 -6.387 1.00 0.00 O ATOM 438 CB TYR A 29 5.766 7.073 -3.641 1.00 0.00 C ATOM 439 CG TYR A 29 4.521 7.711 -4.228 1.00 0.00 C ATOM 440 CD1 TYR A 29 3.243 7.250 -3.876 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.653 8.771 -5.135 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.104 7.849 -4.438 1.00 0.00 C ATOM 443 CE2 TYR A 29 3.514 9.367 -5.689 1.00 0.00 C ATOM 444 CZ TYR A 29 2.240 8.905 -5.340 1.00 0.00 C ATOM 445 OH TYR A 29 1.112 9.483 -5.885 1.00 0.00 O ATOM 0 H TYR A 29 7.912 5.878 -3.258 1.00 0.00 H new ATOM 0 HA TYR A 29 5.371 5.054 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.593 6.811 -2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.592 7.784 -3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.136 6.436 -3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.635 9.129 -5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.120 7.492 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.619 10.185 -6.387 1.00 0.00 H new ATOM 0 HH TYR A 29 1.376 10.205 -6.493 1.00 0.00 H new ATOM 455 N THR A 30 5.192 6.009 -6.676 1.00 0.00 N ATOM 456 CA THR A 30 5.243 6.360 -8.123 1.00 0.00 C ATOM 457 C THR A 30 4.912 7.847 -8.303 1.00 0.00 C ATOM 458 O THR A 30 3.820 8.285 -8.004 1.00 0.00 O ATOM 459 CB THR A 30 4.206 5.526 -8.881 1.00 0.00 C ATOM 460 OG1 THR A 30 4.292 4.160 -8.484 1.00 0.00 O ATOM 461 CG2 THR A 30 4.453 5.651 -10.386 1.00 0.00 C ATOM 0 H THR A 30 4.299 5.640 -6.349 1.00 0.00 H new ATOM 0 HA THR A 30 6.242 6.156 -8.510 1.00 0.00 H new ATOM 0 HB THR A 30 3.207 5.895 -8.648 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.624 3.635 -8.972 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.715 5.058 -10.926 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.366 6.696 -10.683 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.453 5.288 -10.622 1.00 0.00 H new ATOM 469 N GLY A 31 5.830 8.625 -8.810 1.00 0.00 N ATOM 470 CA GLY A 31 5.534 10.070 -9.017 1.00 0.00 C ATOM 471 C GLY A 31 6.650 10.728 -9.830 1.00 0.00 C ATOM 472 O GLY A 31 7.537 10.073 -10.337 1.00 0.00 O ATOM 0 H GLY A 31 6.765 8.325 -9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.582 10.183 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.433 10.570 -8.053 1.00 0.00 H new ATOM 476 N PHE A 32 6.596 12.028 -9.968 1.00 0.00 N ATOM 477 CA PHE A 32 7.639 12.744 -10.760 1.00 0.00 C ATOM 478 C PHE A 32 8.863 13.017 -9.878 1.00 0.00 C ATOM 479 O PHE A 32 9.182 14.150 -9.579 1.00 0.00 O ATOM 480 CB PHE A 32 7.074 14.071 -11.271 1.00 0.00 C ATOM 481 CG PHE A 32 6.017 13.800 -12.324 1.00 0.00 C ATOM 482 CD1 PHE A 32 6.386 13.229 -13.547 1.00 0.00 C ATOM 483 CD2 PHE A 32 4.670 14.123 -12.080 1.00 0.00 C ATOM 484 CE1 PHE A 32 5.415 12.977 -14.525 1.00 0.00 C ATOM 485 CE2 PHE A 32 3.701 13.871 -13.060 1.00 0.00 C ATOM 486 CZ PHE A 32 4.074 13.297 -14.284 1.00 0.00 C ATOM 0 H PHE A 32 5.873 12.625 -9.566 1.00 0.00 H new ATOM 0 HA PHE A 32 7.935 12.124 -11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.643 14.637 -10.445 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.874 14.681 -11.692 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.420 12.982 -13.737 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.383 14.565 -11.137 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.702 12.535 -15.467 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.667 14.119 -12.873 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.327 13.102 -15.040 1.00 0.00 H new ATOM 496 N ARG A 33 9.536 11.982 -9.459 1.00 0.00 N ATOM 497 CA ARG A 33 10.738 12.144 -8.587 1.00 0.00 C ATOM 498 C ARG A 33 11.768 13.076 -9.239 1.00 0.00 C ATOM 499 O ARG A 33 12.748 13.441 -8.618 1.00 0.00 O ATOM 500 CB ARG A 33 11.403 10.783 -8.383 1.00 0.00 C ATOM 501 CG ARG A 33 10.422 9.812 -7.717 1.00 0.00 C ATOM 502 CD ARG A 33 11.143 8.510 -7.348 1.00 0.00 C ATOM 503 NE ARG A 33 11.768 7.911 -8.563 1.00 0.00 N ATOM 504 CZ ARG A 33 12.710 7.014 -8.449 1.00 0.00 C ATOM 505 NH1 ARG A 33 13.162 6.669 -7.271 1.00 0.00 N ATOM 506 NH2 ARG A 33 13.204 6.465 -9.520 1.00 0.00 N ATOM 0 H ARG A 33 9.302 11.015 -9.686 1.00 0.00 H new ATOM 0 HA ARG A 33 10.411 12.569 -7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.729 10.382 -9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.294 10.894 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.997 10.268 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.593 9.600 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.907 8.708 -6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.437 7.806 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 33 11.457 8.204 -9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.778 7.102 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.898 5.967 -7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.855 6.736 -10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.940 5.763 -9.440 1.00 0.00 H new ATOM 520 N ASP A 34 11.596 13.429 -10.484 1.00 0.00 N ATOM 521 CA ASP A 34 12.616 14.288 -11.147 1.00 0.00 C ATOM 522 C ASP A 34 12.489 15.736 -10.679 1.00 0.00 C ATOM 523 O ASP A 34 13.311 16.569 -11.004 1.00 0.00 O ATOM 524 CB ASP A 34 12.425 14.241 -12.667 1.00 0.00 C ATOM 525 CG ASP A 34 12.719 12.831 -13.201 1.00 0.00 C ATOM 526 OD1 ASP A 34 13.143 11.996 -12.419 1.00 0.00 O ATOM 527 OD2 ASP A 34 12.521 12.619 -14.387 1.00 0.00 O ATOM 0 H ASP A 34 10.801 13.163 -11.065 1.00 0.00 H new ATOM 0 HA ASP A 34 13.604 13.911 -10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.404 14.527 -12.921 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.087 14.963 -13.145 1.00 0.00 H new ATOM 532 N ARG A 35 11.490 16.062 -9.902 1.00 0.00 N ATOM 533 CA ARG A 35 11.383 17.473 -9.421 1.00 0.00 C ATOM 534 C ARG A 35 12.338 17.637 -8.235 1.00 0.00 C ATOM 535 O ARG A 35 12.622 16.681 -7.546 1.00 0.00 O ATOM 536 CB ARG A 35 9.942 17.804 -8.981 1.00 0.00 C ATOM 537 CG ARG A 35 9.091 18.256 -10.182 1.00 0.00 C ATOM 538 CD ARG A 35 8.684 17.047 -11.038 1.00 0.00 C ATOM 539 NE ARG A 35 8.807 17.395 -12.485 1.00 0.00 N ATOM 540 CZ ARG A 35 8.286 18.495 -12.967 1.00 0.00 C ATOM 541 NH1 ARG A 35 7.576 19.287 -12.217 1.00 0.00 N ATOM 542 NH2 ARG A 35 8.456 18.787 -14.221 1.00 0.00 N ATOM 0 H ARG A 35 10.757 15.428 -9.584 1.00 0.00 H new ATOM 0 HA ARG A 35 11.645 18.155 -10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.488 16.928 -8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.959 18.590 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.200 18.776 -9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.655 18.965 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.319 16.192 -10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.659 16.755 -10.809 1.00 0.00 H new ATOM 0 HE ARG A 35 9.307 16.763 -13.110 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.418 19.055 -11.236 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.178 20.140 -12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.992 18.161 -14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.053 19.642 -14.605 1.00 0.00 H new ATOM 556 N PRO A 36 12.832 18.831 -7.998 1.00 0.00 N ATOM 557 CA PRO A 36 13.760 19.089 -6.863 1.00 0.00 C ATOM 558 C PRO A 36 13.356 18.341 -5.579 1.00 0.00 C ATOM 559 O PRO A 36 12.352 17.654 -5.519 1.00 0.00 O ATOM 560 CB PRO A 36 13.666 20.607 -6.672 1.00 0.00 C ATOM 561 CG PRO A 36 13.358 21.157 -8.034 1.00 0.00 C ATOM 562 CD PRO A 36 12.575 20.064 -8.782 1.00 0.00 C ATOM 0 HA PRO A 36 14.770 18.736 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.885 20.866 -5.957 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.600 21.014 -6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.770 22.072 -7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.275 21.410 -8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.511 20.295 -8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.920 19.961 -9.811 1.00 0.00 H new ATOM 570 N HIS A 37 14.136 18.473 -4.551 1.00 0.00 N ATOM 571 CA HIS A 37 13.822 17.780 -3.277 1.00 0.00 C ATOM 572 C HIS A 37 12.418 18.160 -2.826 1.00 0.00 C ATOM 573 O HIS A 37 11.817 17.482 -2.026 1.00 0.00 O ATOM 574 CB HIS A 37 14.829 18.224 -2.215 1.00 0.00 C ATOM 575 CG HIS A 37 14.635 19.691 -1.911 1.00 0.00 C ATOM 576 ND1 HIS A 37 14.124 20.143 -0.701 1.00 0.00 N ATOM 577 CD2 HIS A 37 14.906 20.818 -2.645 1.00 0.00 C ATOM 578 CE1 HIS A 37 14.108 21.488 -0.746 1.00 0.00 C ATOM 579 NE2 HIS A 37 14.574 21.950 -1.909 1.00 0.00 N ATOM 0 H HIS A 37 14.986 19.036 -4.537 1.00 0.00 H new ATOM 0 HA HIS A 37 13.878 16.701 -3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.699 17.634 -1.308 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.845 18.047 -2.567 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.316 20.825 -3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.761 22.117 0.060 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.667 22.924 -2.196 1.00 0.00 H new ATOM 587 N GLU A 38 11.901 19.243 -3.337 1.00 0.00 N ATOM 588 CA GLU A 38 10.532 19.687 -2.943 1.00 0.00 C ATOM 589 C GLU A 38 9.511 18.620 -3.308 1.00 0.00 C ATOM 590 O GLU A 38 8.373 18.667 -2.889 1.00 0.00 O ATOM 591 CB GLU A 38 10.202 20.994 -3.661 1.00 0.00 C ATOM 592 CG GLU A 38 9.935 20.731 -5.141 1.00 0.00 C ATOM 593 CD GLU A 38 9.870 22.064 -5.871 1.00 0.00 C ATOM 594 OE1 GLU A 38 9.992 23.083 -5.210 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.702 22.047 -7.075 1.00 0.00 O ATOM 0 H GLU A 38 12.370 19.844 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 38 10.499 19.845 -1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.328 21.458 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.029 21.696 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.724 20.108 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.999 20.187 -5.265 1.00 0.00 H new ATOM 602 N GLU A 39 9.898 17.676 -4.111 1.00 0.00 N ATOM 603 CA GLU A 39 8.930 16.635 -4.521 1.00 0.00 C ATOM 604 C GLU A 39 8.621 15.720 -3.340 1.00 0.00 C ATOM 605 O GLU A 39 7.558 15.142 -3.261 1.00 0.00 O ATOM 606 CB GLU A 39 9.516 15.822 -5.690 1.00 0.00 C ATOM 607 CG GLU A 39 10.487 14.724 -5.187 1.00 0.00 C ATOM 608 CD GLU A 39 9.730 13.408 -4.957 1.00 0.00 C ATOM 609 OE1 GLU A 39 8.556 13.469 -4.632 1.00 0.00 O ATOM 610 OE2 GLU A 39 10.340 12.364 -5.120 1.00 0.00 O ATOM 0 H GLU A 39 10.837 17.581 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 39 8.003 17.107 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.706 15.362 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.042 16.490 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.283 14.571 -5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.961 15.045 -4.260 1.00 0.00 H new ATOM 617 N ARG A 40 9.545 15.567 -2.428 1.00 0.00 N ATOM 618 CA ARG A 40 9.284 14.663 -1.276 1.00 0.00 C ATOM 619 C ARG A 40 8.122 15.211 -0.445 1.00 0.00 C ATOM 620 O ARG A 40 7.159 14.514 -0.184 1.00 0.00 O ATOM 621 CB ARG A 40 10.561 14.550 -0.421 1.00 0.00 C ATOM 622 CG ARG A 40 10.816 15.861 0.351 1.00 0.00 C ATOM 623 CD ARG A 40 12.298 15.971 0.785 1.00 0.00 C ATOM 624 NE ARG A 40 12.386 16.605 2.152 1.00 0.00 N ATOM 625 CZ ARG A 40 11.747 17.722 2.437 1.00 0.00 C ATOM 626 NH1 ARG A 40 11.119 18.378 1.505 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.775 18.209 3.657 1.00 0.00 N ATOM 0 H ARG A 40 10.457 16.024 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 40 9.012 13.671 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.463 13.722 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.415 14.327 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.553 16.713 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.172 15.901 1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.755 14.982 0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.855 16.567 0.062 1.00 0.00 H new ATOM 0 HE ARG A 40 12.953 16.158 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.119 18.028 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.627 19.242 1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.293 17.722 4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.279 19.074 3.872 1.00 0.00 H new ATOM 641 N GLN A 41 8.167 16.455 -0.056 1.00 0.00 N ATOM 642 CA GLN A 41 7.031 17.001 0.727 1.00 0.00 C ATOM 643 C GLN A 41 5.808 17.127 -0.178 1.00 0.00 C ATOM 644 O GLN A 41 4.709 16.814 0.219 1.00 0.00 O ATOM 645 CB GLN A 41 7.395 18.370 1.302 1.00 0.00 C ATOM 646 CG GLN A 41 7.708 19.347 0.164 1.00 0.00 C ATOM 647 CD GLN A 41 8.306 20.635 0.739 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.098 20.598 1.662 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.957 21.784 0.222 1.00 0.00 N ATOM 0 H GLN A 41 8.929 17.106 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 41 6.806 16.325 1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.571 18.752 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.257 18.279 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.407 18.892 -0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.799 19.574 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.293 21.814 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.349 22.650 0.592 1.00 0.00 H new ATOM 658 N THR A 42 5.983 17.584 -1.394 1.00 0.00 N ATOM 659 CA THR A 42 4.806 17.727 -2.295 1.00 0.00 C ATOM 660 C THR A 42 4.191 16.367 -2.530 1.00 0.00 C ATOM 661 O THR A 42 2.995 16.233 -2.648 1.00 0.00 O ATOM 662 CB THR A 42 5.230 18.331 -3.638 1.00 0.00 C ATOM 663 OG1 THR A 42 6.009 19.492 -3.405 1.00 0.00 O ATOM 664 CG2 THR A 42 3.981 18.725 -4.437 1.00 0.00 C ATOM 0 H THR A 42 6.880 17.860 -1.795 1.00 0.00 H new ATOM 0 HA THR A 42 4.079 18.390 -1.825 1.00 0.00 H new ATOM 0 HB THR A 42 5.812 17.598 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.960 19.266 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.281 19.155 -5.393 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.368 17.841 -4.613 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.405 19.459 -3.874 1.00 0.00 H new ATOM 672 N ARG A 43 4.987 15.352 -2.619 1.00 0.00 N ATOM 673 CA ARG A 43 4.407 14.021 -2.872 1.00 0.00 C ATOM 674 C ARG A 43 3.402 13.652 -1.784 1.00 0.00 C ATOM 675 O ARG A 43 2.364 13.106 -2.059 1.00 0.00 O ATOM 676 CB ARG A 43 5.511 12.973 -2.878 1.00 0.00 C ATOM 677 CG ARG A 43 4.899 11.572 -3.185 1.00 0.00 C ATOM 678 CD ARG A 43 4.761 10.741 -1.893 1.00 0.00 C ATOM 679 NE ARG A 43 3.669 9.727 -2.046 1.00 0.00 N ATOM 680 CZ ARG A 43 3.522 8.776 -1.151 1.00 0.00 C ATOM 681 NH1 ARG A 43 4.334 8.720 -0.129 1.00 0.00 N ATOM 682 NH2 ARG A 43 2.574 7.879 -1.285 1.00 0.00 N ATOM 0 H ARG A 43 6.002 15.385 -2.529 1.00 0.00 H new ATOM 0 HA ARG A 43 3.902 14.051 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.262 13.225 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.016 12.957 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.922 11.691 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.531 11.042 -3.898 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.704 10.241 -1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.543 11.398 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 43 3.038 9.775 -2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.077 9.412 -0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.225 7.984 0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.946 7.917 -2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.465 7.144 -0.587 1.00 0.00 H new ATOM 696 N PHE A 44 3.705 13.907 -0.547 1.00 0.00 N ATOM 697 CA PHE A 44 2.755 13.515 0.529 1.00 0.00 C ATOM 698 C PHE A 44 1.437 14.273 0.459 1.00 0.00 C ATOM 699 O PHE A 44 0.387 13.669 0.478 1.00 0.00 O ATOM 700 CB PHE A 44 3.430 13.733 1.876 1.00 0.00 C ATOM 701 CG PHE A 44 4.539 12.724 1.979 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.231 11.364 2.088 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.866 13.137 1.927 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.257 10.421 2.156 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.892 12.197 1.992 1.00 0.00 C ATOM 706 CZ PHE A 44 6.588 10.836 2.108 1.00 0.00 C ATOM 0 H PHE A 44 4.561 14.365 -0.234 1.00 0.00 H new ATOM 0 HA PHE A 44 2.504 12.463 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.823 14.747 1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.716 13.606 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.200 11.044 2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.101 14.187 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.021 9.371 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.922 12.519 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.383 10.107 2.160 1.00 0.00 H new ATOM 716 N GLN A 45 1.454 15.574 0.382 1.00 0.00 N ATOM 717 CA GLN A 45 0.151 16.296 0.325 1.00 0.00 C ATOM 718 C GLN A 45 -0.549 15.993 -0.991 1.00 0.00 C ATOM 719 O GLN A 45 -1.677 15.573 -1.003 1.00 0.00 O ATOM 720 CB GLN A 45 0.360 17.817 0.458 1.00 0.00 C ATOM 721 CG GLN A 45 1.699 18.231 -0.187 1.00 0.00 C ATOM 722 CD GLN A 45 2.782 18.355 0.891 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.516 19.323 0.921 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.913 17.411 1.790 1.00 0.00 N ATOM 0 H GLN A 45 2.290 16.158 0.356 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.466 15.955 1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.462 18.347 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.352 18.102 1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.998 17.493 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.583 19.181 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.299 16.597 1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.629 17.490 2.512 1.00 0.00 H new ATOM 733 N ASN A 46 0.099 16.214 -2.095 1.00 0.00 N ATOM 734 CA ASN A 46 -0.572 15.950 -3.390 1.00 0.00 C ATOM 735 C ASN A 46 -0.954 14.465 -3.524 1.00 0.00 C ATOM 736 O ASN A 46 -1.968 14.125 -4.122 1.00 0.00 O ATOM 737 CB ASN A 46 0.339 16.384 -4.544 1.00 0.00 C ATOM 738 CG ASN A 46 1.540 15.446 -4.636 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.730 14.615 -3.778 1.00 0.00 O ATOM 740 ND2 ASN A 46 2.383 15.554 -5.629 1.00 0.00 N ATOM 0 H ASN A 46 1.056 16.563 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.493 16.531 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.216 16.372 -5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.677 17.408 -4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.196 14.939 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.228 16.253 -6.356 1.00 0.00 H new ATOM 747 N ALA A 47 -0.175 13.565 -2.975 1.00 0.00 N ATOM 748 CA ALA A 47 -0.531 12.120 -3.116 1.00 0.00 C ATOM 749 C ALA A 47 -1.628 11.794 -2.118 1.00 0.00 C ATOM 750 O ALA A 47 -2.514 11.008 -2.378 1.00 0.00 O ATOM 751 CB ALA A 47 0.692 11.222 -2.845 1.00 0.00 C ATOM 0 H ALA A 47 0.675 13.762 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.871 11.934 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.406 10.176 -2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.482 11.459 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.054 11.396 -1.831 1.00 0.00 H new ATOM 757 N CYS A 48 -1.572 12.395 -0.974 1.00 0.00 N ATOM 758 CA CYS A 48 -2.605 12.142 0.057 1.00 0.00 C ATOM 759 C CYS A 48 -3.993 12.623 -0.391 1.00 0.00 C ATOM 760 O CYS A 48 -4.978 11.958 -0.143 1.00 0.00 O ATOM 761 CB CYS A 48 -2.179 12.835 1.339 1.00 0.00 C ATOM 762 SG CYS A 48 -0.863 11.855 2.095 1.00 0.00 S ATOM 0 H CYS A 48 -0.847 13.059 -0.704 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.690 11.068 0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.828 13.845 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.024 12.928 2.021 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.585 12.335 3.271 1.00 0.00 H new ATOM 768 N ARG A 49 -4.108 13.756 -1.049 1.00 0.00 N ATOM 769 CA ARG A 49 -5.476 14.185 -1.467 1.00 0.00 C ATOM 770 C ARG A 49 -6.024 13.101 -2.391 1.00 0.00 C ATOM 771 O ARG A 49 -7.148 12.657 -2.242 1.00 0.00 O ATOM 772 CB ARG A 49 -5.431 15.545 -2.178 1.00 0.00 C ATOM 773 CG ARG A 49 -4.217 15.601 -3.089 1.00 0.00 C ATOM 774 CD ARG A 49 -4.275 16.864 -3.948 1.00 0.00 C ATOM 775 NE ARG A 49 -5.511 16.815 -4.768 1.00 0.00 N ATOM 776 CZ ARG A 49 -5.922 17.874 -5.395 1.00 0.00 C ATOM 777 NH1 ARG A 49 -5.279 19.007 -5.260 1.00 0.00 N ATOM 778 NH2 ARG A 49 -6.991 17.804 -6.145 1.00 0.00 N ATOM 0 H ARG A 49 -3.342 14.379 -1.305 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.122 14.308 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.342 15.694 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.385 16.350 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.304 15.596 -2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.188 14.717 -3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.273 17.753 -3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.396 16.927 -4.590 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.039 15.945 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.454 19.057 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.603 19.839 -5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.495 16.922 -6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.321 18.632 -6.641 1.00 0.00 H new ATOM 792 N ASP A 50 -5.208 12.595 -3.282 1.00 0.00 N ATOM 793 CA ASP A 50 -5.652 11.462 -4.137 1.00 0.00 C ATOM 794 C ASP A 50 -5.130 10.213 -3.439 1.00 0.00 C ATOM 795 O ASP A 50 -4.025 9.762 -3.667 1.00 0.00 O ATOM 796 CB ASP A 50 -5.069 11.575 -5.549 1.00 0.00 C ATOM 797 CG ASP A 50 -3.583 11.889 -5.465 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.111 12.065 -4.360 1.00 0.00 O ATOM 799 OD2 ASP A 50 -2.946 11.950 -6.503 1.00 0.00 O ATOM 0 H ASP A 50 -4.256 12.920 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.735 11.446 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.224 10.643 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.585 12.358 -6.105 1.00 0.00 H new ATOM 804 N GLY A 51 -5.911 9.691 -2.549 1.00 0.00 N ATOM 805 CA GLY A 51 -5.489 8.503 -1.754 1.00 0.00 C ATOM 806 C GLY A 51 -5.279 7.290 -2.665 1.00 0.00 C ATOM 807 O GLY A 51 -5.064 6.188 -2.198 1.00 0.00 O ATOM 0 H GLY A 51 -6.844 10.040 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.566 8.726 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.245 8.274 -1.003 1.00 0.00 H new ATOM 811 N ARG A 52 -5.310 7.477 -3.958 1.00 0.00 N ATOM 812 CA ARG A 52 -5.070 6.323 -4.876 1.00 0.00 C ATOM 813 C ARG A 52 -3.583 6.291 -5.203 1.00 0.00 C ATOM 814 O ARG A 52 -3.141 6.753 -6.240 1.00 0.00 O ATOM 815 CB ARG A 52 -5.854 6.530 -6.164 1.00 0.00 C ATOM 816 CG ARG A 52 -7.348 6.627 -5.865 1.00 0.00 C ATOM 817 CD ARG A 52 -8.102 6.728 -7.186 1.00 0.00 C ATOM 818 NE ARG A 52 -8.020 5.431 -7.905 1.00 0.00 N ATOM 819 CZ ARG A 52 -8.849 5.173 -8.873 1.00 0.00 C ATOM 820 NH1 ARG A 52 -9.762 6.044 -9.212 1.00 0.00 N ATOM 821 NH2 ARG A 52 -8.758 4.042 -9.507 1.00 0.00 N ATOM 0 H ARG A 52 -5.489 8.371 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.386 5.391 -4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.516 7.439 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.666 5.703 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.680 5.752 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.554 7.499 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.144 6.989 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.678 7.523 -7.799 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.314 4.744 -7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.828 6.933 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.409 5.835 -9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.041 3.366 -9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.404 3.830 -10.268 1.00 0.00 H new ATOM 835 N SER A 53 -2.809 5.763 -4.306 1.00 0.00 N ATOM 836 CA SER A 53 -1.334 5.706 -4.511 1.00 0.00 C ATOM 837 C SER A 53 -0.946 4.568 -5.444 1.00 0.00 C ATOM 838 O SER A 53 -1.481 3.482 -5.364 1.00 0.00 O ATOM 839 CB SER A 53 -0.640 5.476 -3.165 1.00 0.00 C ATOM 840 OG SER A 53 0.765 5.356 -3.366 1.00 0.00 O ATOM 0 H SER A 53 -3.135 5.362 -3.427 1.00 0.00 H new ATOM 0 HA SER A 53 -1.024 6.652 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.851 6.305 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.029 4.573 -2.694 1.00 0.00 H new ATOM 0 HG SER A 53 1.179 6.243 -3.321 1.00 0.00 H new ATOM 846 N GLU A 54 0.039 4.792 -6.280 1.00 0.00 N ATOM 847 CA GLU A 54 0.550 3.709 -7.171 1.00 0.00 C ATOM 848 C GLU A 54 2.021 3.527 -6.807 1.00 0.00 C ATOM 849 O GLU A 54 2.760 4.486 -6.730 1.00 0.00 O ATOM 850 CB GLU A 54 0.416 4.099 -8.642 1.00 0.00 C ATOM 851 CG GLU A 54 -1.057 4.287 -8.994 1.00 0.00 C ATOM 852 CD GLU A 54 -1.166 4.621 -10.480 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.206 4.380 -11.192 1.00 0.00 O ATOM 854 OE2 GLU A 54 -2.209 5.111 -10.885 1.00 0.00 O ATOM 0 H GLU A 54 0.514 5.689 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.020 2.790 -7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.966 5.020 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.855 3.327 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.618 3.380 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.490 5.087 -8.394 1.00 0.00 H new ATOM 861 N ILE A 55 2.450 2.328 -6.544 1.00 0.00 N ATOM 862 CA ILE A 55 3.871 2.114 -6.130 1.00 0.00 C ATOM 863 C ILE A 55 4.372 0.799 -6.700 1.00 0.00 C ATOM 864 O ILE A 55 3.598 -0.006 -7.176 1.00 0.00 O ATOM 865 CB ILE A 55 3.906 2.109 -4.595 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.194 1.454 -4.061 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.690 1.344 -4.072 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.436 1.833 -2.589 1.00 0.00 C ATOM 0 H ILE A 55 1.882 1.483 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 55 4.521 2.904 -6.508 1.00 0.00 H new ATOM 0 HB ILE A 55 3.886 3.142 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.121 0.370 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.044 1.769 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.707 1.335 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.778 1.831 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.717 0.320 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.351 1.358 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.533 2.915 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.595 1.495 -1.983 1.00 0.00 H new ATOM 880 N ALA A 56 5.664 0.583 -6.693 1.00 0.00 N ATOM 881 CA ALA A 56 6.201 -0.687 -7.279 1.00 0.00 C ATOM 882 C ALA A 56 7.388 -1.223 -6.471 1.00 0.00 C ATOM 883 O ALA A 56 8.010 -0.513 -5.693 1.00 0.00 O ATOM 884 CB ALA A 56 6.659 -0.394 -8.708 1.00 0.00 C ATOM 0 H ALA A 56 6.363 1.221 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 56 5.416 -1.443 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.055 -1.305 -9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.813 -0.038 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.436 0.370 -8.692 1.00 0.00 H new ATOM 890 N PHE A 57 7.719 -2.481 -6.679 1.00 0.00 N ATOM 891 CA PHE A 57 8.888 -3.088 -5.968 1.00 0.00 C ATOM 892 C PHE A 57 10.126 -2.882 -6.844 1.00 0.00 C ATOM 893 O PHE A 57 10.126 -3.216 -8.011 1.00 0.00 O ATOM 894 CB PHE A 57 8.695 -4.597 -5.794 1.00 0.00 C ATOM 895 CG PHE A 57 7.537 -4.913 -4.869 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.684 -4.755 -3.484 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.336 -5.411 -5.392 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.630 -5.090 -2.623 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.285 -5.752 -4.528 1.00 0.00 C ATOM 900 CZ PHE A 57 5.433 -5.591 -3.147 1.00 0.00 C ATOM 0 H PHE A 57 7.227 -3.111 -7.312 1.00 0.00 H new ATOM 0 HA PHE A 57 8.991 -2.621 -4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.519 -5.056 -6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.609 -5.037 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.611 -4.375 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.220 -5.532 -6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.741 -4.962 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.360 -6.139 -4.930 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.622 -5.854 -2.484 1.00 0.00 H new ATOM 910 N VAL A 58 11.184 -2.340 -6.311 1.00 0.00 N ATOM 911 CA VAL A 58 12.400 -2.142 -7.151 1.00 0.00 C ATOM 912 C VAL A 58 12.901 -3.494 -7.677 1.00 0.00 C ATOM 913 O VAL A 58 13.318 -3.619 -8.814 1.00 0.00 O ATOM 914 CB VAL A 58 13.493 -1.462 -6.327 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.749 -1.320 -7.183 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.005 -0.076 -5.890 1.00 0.00 C ATOM 0 H VAL A 58 11.261 -2.028 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 58 12.147 -1.507 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 58 13.721 -2.060 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.533 -0.835 -6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.088 -2.307 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.524 -0.716 -8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.781 0.414 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.783 0.526 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.104 -0.181 -5.286 1.00 0.00 H new ATOM 926 N ALA A 59 12.866 -4.509 -6.855 1.00 0.00 N ATOM 927 CA ALA A 59 13.351 -5.855 -7.298 1.00 0.00 C ATOM 928 C ALA A 59 12.553 -6.362 -8.517 1.00 0.00 C ATOM 929 O ALA A 59 13.120 -6.925 -9.431 1.00 0.00 O ATOM 930 CB ALA A 59 13.195 -6.857 -6.141 1.00 0.00 C ATOM 0 H ALA A 59 12.523 -4.467 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 59 14.399 -5.765 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.547 -7.838 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.782 -6.521 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.145 -6.923 -5.856 1.00 0.00 H new ATOM 936 N THR A 60 11.251 -6.184 -8.540 1.00 0.00 N ATOM 937 CA THR A 60 10.430 -6.681 -9.703 1.00 0.00 C ATOM 938 C THR A 60 9.705 -5.519 -10.380 1.00 0.00 C ATOM 939 O THR A 60 9.328 -4.551 -9.755 1.00 0.00 O ATOM 940 CB THR A 60 9.399 -7.697 -9.199 1.00 0.00 C ATOM 941 OG1 THR A 60 10.052 -8.672 -8.400 1.00 0.00 O ATOM 942 CG2 THR A 60 8.714 -8.391 -10.381 1.00 0.00 C ATOM 0 H THR A 60 10.718 -5.717 -7.806 1.00 0.00 H new ATOM 0 HA THR A 60 11.094 -7.152 -10.427 1.00 0.00 H new ATOM 0 HB THR A 60 8.646 -7.174 -8.609 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.203 -9.482 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.984 -9.110 -10.008 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.208 -7.647 -10.996 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.461 -8.911 -10.981 1.00 0.00 H new ATOM 950 N GLY A 61 9.491 -5.627 -11.661 1.00 0.00 N ATOM 951 CA GLY A 61 8.778 -4.550 -12.398 1.00 0.00 C ATOM 952 C GLY A 61 7.287 -4.639 -12.081 1.00 0.00 C ATOM 953 O GLY A 61 6.480 -3.923 -12.638 1.00 0.00 O ATOM 0 H GLY A 61 9.782 -6.421 -12.232 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.167 -3.574 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.942 -4.654 -13.470 1.00 0.00 H new ATOM 957 N THR A 62 6.926 -5.508 -11.178 1.00 0.00 N ATOM 958 CA THR A 62 5.495 -5.648 -10.796 1.00 0.00 C ATOM 959 C THR A 62 5.055 -4.382 -10.067 1.00 0.00 C ATOM 960 O THR A 62 5.757 -3.890 -9.202 1.00 0.00 O ATOM 961 CB THR A 62 5.353 -6.826 -9.830 1.00 0.00 C ATOM 962 OG1 THR A 62 5.695 -8.041 -10.486 1.00 0.00 O ATOM 963 CG2 THR A 62 3.917 -6.896 -9.296 1.00 0.00 C ATOM 0 H THR A 62 7.566 -6.131 -10.686 1.00 0.00 H new ATOM 0 HA THR A 62 4.888 -5.809 -11.687 1.00 0.00 H new ATOM 0 HB THR A 62 6.033 -6.680 -8.991 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.603 -8.789 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.825 -7.737 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.679 -5.971 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.226 -7.029 -10.128 1.00 0.00 H new ATOM 971 N ASN A 63 3.894 -3.858 -10.387 1.00 0.00 N ATOM 972 CA ASN A 63 3.391 -2.625 -9.694 1.00 0.00 C ATOM 973 C ASN A 63 2.028 -2.916 -9.056 1.00 0.00 C ATOM 974 O ASN A 63 1.219 -3.638 -9.605 1.00 0.00 O ATOM 975 CB ASN A 63 3.238 -1.489 -10.712 1.00 0.00 C ATOM 976 CG ASN A 63 2.240 -1.895 -11.795 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.618 -2.141 -12.924 1.00 0.00 O ATOM 978 ND2 ASN A 63 0.972 -1.980 -11.501 1.00 0.00 N ATOM 0 H ASN A 63 3.270 -4.233 -11.102 1.00 0.00 H new ATOM 0 HA ASN A 63 4.102 -2.331 -8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.896 -0.583 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.204 -1.259 -11.162 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.299 -2.253 -12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.653 -1.774 -10.554 1.00 0.00 H new ATOM 985 N LEU A 64 1.765 -2.347 -7.904 1.00 0.00 N ATOM 986 CA LEU A 64 0.446 -2.567 -7.222 1.00 0.00 C ATOM 987 C LEU A 64 -0.209 -1.219 -6.930 1.00 0.00 C ATOM 988 O LEU A 64 0.432 -0.277 -6.504 1.00 0.00 O ATOM 989 CB LEU A 64 0.650 -3.327 -5.901 1.00 0.00 C ATOM 990 CG LEU A 64 1.301 -4.690 -6.178 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.553 -5.410 -4.852 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.376 -5.555 -7.059 1.00 0.00 C ATOM 0 H LEU A 64 2.410 -1.736 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.195 -3.156 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.279 -2.743 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.308 -3.467 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 64 2.244 -4.532 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.015 -6.378 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.217 -4.808 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.606 -5.557 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.850 -6.518 -7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.573 -5.712 -6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.197 -5.047 -8.007 1.00 0.00 H new ATOM 1004 N SER A 65 -1.494 -1.141 -7.145 1.00 0.00 N ATOM 1005 CA SER A 65 -2.252 0.116 -6.881 1.00 0.00 C ATOM 1006 C SER A 65 -3.098 -0.097 -5.639 1.00 0.00 C ATOM 1007 O SER A 65 -3.622 -1.168 -5.422 1.00 0.00 O ATOM 1008 CB SER A 65 -3.173 0.417 -8.061 1.00 0.00 C ATOM 1009 OG SER A 65 -4.070 -0.670 -8.243 1.00 0.00 O ATOM 0 H SER A 65 -2.062 -1.911 -7.500 1.00 0.00 H new ATOM 0 HA SER A 65 -1.562 0.948 -6.742 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.729 1.336 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.585 0.574 -8.965 1.00 0.00 H new ATOM 0 HG SER A 65 -4.665 -0.480 -8.999 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.235 0.906 -4.819 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.049 0.754 -3.581 1.00 0.00 C ATOM 1017 C LEU A 66 -4.802 2.053 -3.294 1.00 0.00 C ATOM 1018 O LEU A 66 -4.467 3.112 -3.794 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.139 0.383 -2.399 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.799 1.144 -2.477 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.088 1.039 -1.122 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.886 0.560 -3.594 1.00 0.00 C ATOM 0 H LEU A 66 -2.818 1.827 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.776 -0.046 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.641 0.618 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.953 -0.691 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.001 2.188 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.139 1.574 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.716 1.478 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.903 -0.009 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.051 1.116 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.679 -0.489 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.390 0.644 -4.557 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.839 1.963 -2.503 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.657 3.171 -2.186 1.00 0.00 C ATOM 1036 C GLN A 67 -7.051 3.138 -0.707 1.00 0.00 C ATOM 1037 O GLN A 67 -7.900 2.373 -0.295 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.929 3.150 -3.045 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.563 2.923 -4.513 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.806 3.103 -5.387 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.704 3.852 -5.048 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.896 2.444 -6.508 1.00 0.00 N ATOM 0 H GLN A 67 -6.156 1.100 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.082 4.073 -2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.597 2.360 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.467 4.092 -2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.787 3.626 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.155 1.921 -4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.144 1.816 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.718 2.556 -7.101 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.437 3.968 0.093 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.766 3.994 1.550 1.00 0.00 C ATOM 1053 C PHE A 68 -7.897 5.001 1.813 1.00 0.00 C ATOM 1054 O PHE A 68 -9.030 4.638 2.074 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.512 4.407 2.344 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.661 5.327 1.502 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.876 4.798 0.477 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.652 6.704 1.754 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -3.081 5.649 -0.299 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.854 7.554 0.982 1.00 0.00 C ATOM 1061 CZ PHE A 68 -3.068 7.022 -0.044 1.00 0.00 C ATOM 0 H PHE A 68 -5.720 4.631 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.092 3.003 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.802 4.907 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.940 3.523 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.882 3.736 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.263 7.111 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.476 5.243 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.845 8.616 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.449 7.675 -0.641 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.577 6.268 1.759 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.596 7.334 2.021 1.00 0.00 C ATOM 1073 C PHE A 69 -8.298 8.587 1.173 1.00 0.00 C ATOM 1074 O PHE A 69 -7.534 9.439 1.588 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.542 7.714 3.505 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.592 8.764 3.798 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.951 8.441 3.687 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.210 10.063 4.191 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.929 9.404 3.970 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.186 11.023 4.470 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.548 10.694 4.360 1.00 0.00 C ATOM 0 H PHE A 69 -6.643 6.616 1.542 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.583 6.955 1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.712 6.832 4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.552 8.094 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.245 7.447 3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.163 10.316 4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.976 9.152 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.894 12.018 4.770 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.302 11.437 4.576 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.899 8.714 0.010 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.696 9.891 -0.883 1.00 0.00 C ATOM 1093 C PRO A 70 -9.701 11.002 -0.580 1.00 0.00 C ATOM 1094 O PRO A 70 -10.844 10.735 -0.269 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.958 9.294 -2.259 1.00 0.00 C ATOM 1096 CG PRO A 70 -10.057 8.303 -2.027 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.845 7.755 -0.601 1.00 0.00 C ATOM 0 HA PRO A 70 -7.715 10.353 -0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.257 10.060 -2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.066 8.813 -2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.035 8.776 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.019 7.500 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.782 7.710 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.436 6.745 -0.618 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.296 12.240 -0.679 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.256 13.346 -0.402 1.00 0.00 C ATOM 1107 C ALA A 71 -11.427 13.177 -1.371 1.00 0.00 C ATOM 1108 O ALA A 71 -12.581 13.153 -0.989 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.557 14.694 -0.642 1.00 0.00 C ATOM 0 H ALA A 71 -8.353 12.531 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.608 13.320 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.255 15.507 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.697 14.781 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.223 14.751 -1.678 1.00 0.00 H new ATOM 1115 N SER A 72 -11.099 13.017 -2.624 1.00 0.00 N ATOM 1116 CA SER A 72 -12.116 12.793 -3.692 1.00 0.00 C ATOM 1117 C SER A 72 -11.353 12.640 -5.024 1.00 0.00 C ATOM 1118 O SER A 72 -10.781 13.590 -5.525 1.00 0.00 O ATOM 1119 CB SER A 72 -13.096 13.980 -3.762 1.00 0.00 C ATOM 1120 OG SER A 72 -14.361 13.510 -4.203 1.00 0.00 O ATOM 0 H SER A 72 -10.137 13.033 -2.962 1.00 0.00 H new ATOM 0 HA SER A 72 -12.704 11.899 -3.482 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.189 14.449 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.718 14.741 -4.445 1.00 0.00 H new ATOM 0 HG SER A 72 -14.991 14.259 -4.248 1.00 0.00 H new ATOM 1261 N PRO A 81 -5.780 17.661 1.748 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.169 16.296 1.814 1.00 0.00 C ATOM 1263 C PRO A 81 -5.894 15.349 2.776 1.00 0.00 C ATOM 1264 O PRO A 81 -6.892 15.697 3.374 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.755 16.590 2.325 1.00 0.00 C ATOM 1266 CG PRO A 81 -3.934 17.751 3.239 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.025 18.616 2.598 1.00 0.00 C ATOM 0 HA PRO A 81 -5.213 15.786 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.334 15.732 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.077 16.828 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.229 17.423 4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.005 18.310 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.666 19.075 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.598 19.426 2.007 1.00 0.00 H new ATOM 1275 N SER A 82 -5.373 14.161 2.940 1.00 0.00 N ATOM 1276 CA SER A 82 -5.993 13.184 3.881 1.00 0.00 C ATOM 1277 C SER A 82 -5.434 13.452 5.271 1.00 0.00 C ATOM 1278 O SER A 82 -4.253 13.312 5.515 1.00 0.00 O ATOM 1279 CB SER A 82 -5.634 11.765 3.445 1.00 0.00 C ATOM 1280 OG SER A 82 -5.798 10.865 4.537 1.00 0.00 O ATOM 0 H SER A 82 -4.539 13.824 2.459 1.00 0.00 H new ATOM 0 HA SER A 82 -7.078 13.288 3.884 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.268 11.460 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.604 11.734 3.089 1.00 0.00 H new ATOM 0 HG SER A 82 -5.568 9.957 4.250 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.269 13.847 6.184 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.779 14.130 7.552 1.00 0.00 C ATOM 1288 C ARG A 83 -5.153 12.871 8.136 1.00 0.00 C ATOM 1289 O ARG A 83 -4.237 12.927 8.932 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.942 14.584 8.437 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.396 15.060 9.785 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.554 15.431 10.720 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.416 16.491 10.095 1.00 0.00 N ATOM 1294 CZ ARG A 83 -7.935 17.655 9.753 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -6.715 17.979 10.068 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -8.691 18.521 9.140 1.00 0.00 N ATOM 0 H ARG A 83 -7.269 13.986 6.041 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.032 14.923 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.492 15.389 7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.643 13.763 8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.789 14.276 10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.745 15.922 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.153 14.546 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.161 15.788 11.672 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.404 16.296 9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.130 17.322 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.343 18.890 9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.661 18.290 8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.313 19.430 8.874 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.645 11.732 7.756 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.082 10.476 8.307 1.00 0.00 C ATOM 1312 C GLU A 84 -3.584 10.377 7.978 1.00 0.00 C ATOM 1313 O GLU A 84 -2.828 9.791 8.718 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.821 9.278 7.708 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.292 9.307 8.123 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.998 8.061 7.575 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.349 7.290 6.884 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -9.171 7.893 7.862 1.00 0.00 O ATOM 0 H GLU A 84 -6.409 11.616 7.091 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.206 10.476 9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.741 9.298 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.358 8.350 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.375 9.338 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.772 10.208 7.741 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.141 10.914 6.871 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.685 10.793 6.529 1.00 0.00 C ATOM 1327 C TYR A 85 -0.811 11.581 7.527 1.00 0.00 C ATOM 1328 O TYR A 85 0.293 11.193 7.834 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.479 11.246 5.057 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.727 12.572 4.926 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.623 12.653 5.288 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.373 13.705 4.397 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.322 13.858 5.134 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.669 14.912 4.247 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.680 14.983 4.619 1.00 0.00 C ATOM 1336 OH TYR A 85 1.381 16.165 4.488 1.00 0.00 O ATOM 0 H TYR A 85 -3.711 11.424 6.196 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.366 9.754 6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.931 10.472 4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.452 11.340 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.127 11.785 5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.411 13.647 4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.363 13.915 5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.167 15.783 3.846 1.00 0.00 H new ATOM 0 HH TYR A 85 0.793 16.854 4.113 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.294 12.668 8.051 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.480 13.455 9.030 1.00 0.00 C ATOM 1348 C VAL A 86 -0.780 12.963 10.436 1.00 0.00 C ATOM 1349 O VAL A 86 -0.308 13.502 11.420 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.829 14.939 8.906 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.113 15.781 9.788 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.688 15.359 7.435 1.00 0.00 C ATOM 0 H VAL A 86 -2.217 13.051 7.848 1.00 0.00 H new ATOM 0 HA VAL A 86 0.582 13.323 8.822 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.853 15.104 9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.145 16.836 9.692 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.007 15.475 10.829 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.144 15.629 9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.934 16.416 7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.338 15.192 7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.367 14.767 6.821 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.554 11.924 10.540 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.882 11.377 11.888 1.00 0.00 C ATOM 1364 C ASP A 87 -0.855 10.311 12.223 1.00 0.00 C ATOM 1365 O ASP A 87 -0.773 9.849 13.342 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.313 10.787 11.904 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.382 9.372 11.292 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.377 8.892 10.798 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.452 8.792 11.342 1.00 0.00 O ATOM 0 H ASP A 87 -1.975 11.428 9.754 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.851 12.171 12.634 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.675 10.752 12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.981 11.449 11.353 1.00 0.00 H new ATOM 1374 N LEU A 88 -0.043 9.940 11.261 1.00 0.00 N ATOM 1375 CA LEU A 88 1.015 8.928 11.525 1.00 0.00 C ATOM 1376 C LEU A 88 2.357 9.517 11.079 1.00 0.00 C ATOM 1377 O LEU A 88 3.392 8.897 11.203 1.00 0.00 O ATOM 1378 CB LEU A 88 0.643 7.612 10.819 1.00 0.00 C ATOM 1379 CG LEU A 88 1.235 7.522 9.412 1.00 0.00 C ATOM 1380 CD1 LEU A 88 0.746 6.225 8.749 1.00 0.00 C ATOM 1381 CD2 LEU A 88 0.820 8.751 8.572 1.00 0.00 C ATOM 0 H LEU A 88 -0.072 10.298 10.306 1.00 0.00 H new ATOM 0 HA LEU A 88 1.103 8.688 12.585 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.997 6.770 11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.442 7.528 10.761 1.00 0.00 H new ATOM 0 HG LEU A 88 2.323 7.511 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.162 6.151 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.071 5.369 9.341 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.342 6.234 8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.250 8.671 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.267 8.790 8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.184 9.659 9.052 1.00 0.00 H new ATOM 1393 N GLU A 89 2.341 10.741 10.599 1.00 0.00 N ATOM 1394 CA GLU A 89 3.612 11.406 10.189 1.00 0.00 C ATOM 1395 C GLU A 89 4.330 11.847 11.455 1.00 0.00 C ATOM 1396 O GLU A 89 5.534 11.750 11.577 1.00 0.00 O ATOM 1397 CB GLU A 89 3.304 12.626 9.315 1.00 0.00 C ATOM 1398 CG GLU A 89 4.611 13.312 8.898 1.00 0.00 C ATOM 1399 CD GLU A 89 4.282 14.503 8.007 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.267 14.449 7.348 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.044 15.453 8.007 1.00 0.00 O ATOM 0 H GLU A 89 1.500 11.304 10.475 1.00 0.00 H new ATOM 0 HA GLU A 89 4.234 10.720 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.746 12.319 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.674 13.327 9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.161 13.641 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.252 12.609 8.366 1.00 0.00 H new ATOM 1408 N ARG A 90 3.587 12.314 12.409 1.00 0.00 N ATOM 1409 CA ARG A 90 4.198 12.736 13.692 1.00 0.00 C ATOM 1410 C ARG A 90 4.690 11.501 14.443 1.00 0.00 C ATOM 1411 O ARG A 90 5.486 11.595 15.357 1.00 0.00 O ATOM 1412 CB ARG A 90 3.169 13.509 14.533 1.00 0.00 C ATOM 1413 CG ARG A 90 2.759 14.775 13.772 1.00 0.00 C ATOM 1414 CD ARG A 90 1.809 15.619 14.627 1.00 0.00 C ATOM 1415 NE ARG A 90 0.570 14.839 14.897 1.00 0.00 N ATOM 1416 CZ ARG A 90 -0.285 15.262 15.785 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -0.061 16.382 16.417 1.00 0.00 N ATOM 1418 NH2 ARG A 90 -1.353 14.560 16.049 1.00 0.00 N ATOM 0 H ARG A 90 2.574 12.423 12.356 1.00 0.00 H new ATOM 0 HA ARG A 90 5.045 13.395 13.499 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.296 12.886 14.727 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.594 13.772 15.501 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.644 15.357 13.516 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.273 14.504 12.835 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.292 15.894 15.565 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.564 16.547 14.111 1.00 0.00 H new ATOM 0 HE ARG A 90 0.390 13.974 14.387 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.780 16.922 16.215 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.727 16.717 17.113 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.519 13.680 15.560 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.022 14.891 16.744 1.00 0.00 H new ATOM 1432 N GLU A 91 4.210 10.345 14.077 1.00 0.00 N ATOM 1433 CA GLU A 91 4.628 9.110 14.796 1.00 0.00 C ATOM 1434 C GLU A 91 6.052 8.689 14.389 1.00 0.00 C ATOM 1435 O GLU A 91 7.025 9.270 14.835 1.00 0.00 O ATOM 1436 CB GLU A 91 3.635 7.991 14.469 1.00 0.00 C ATOM 1437 CG GLU A 91 3.900 6.797 15.390 1.00 0.00 C ATOM 1438 CD GLU A 91 3.020 5.616 14.980 1.00 0.00 C ATOM 1439 OE1 GLU A 91 2.843 5.419 13.791 1.00 0.00 O ATOM 1440 OE2 GLU A 91 2.535 4.934 15.865 1.00 0.00 O ATOM 0 H GLU A 91 3.549 10.203 13.314 1.00 0.00 H new ATOM 0 HA GLU A 91 4.633 9.305 15.868 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.613 8.346 14.599 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.738 7.691 13.426 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.951 6.513 15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.695 7.072 16.424 1.00 0.00 H new ATOM 1447 N ALA A 92 6.184 7.686 13.560 1.00 0.00 N ATOM 1448 CA ALA A 92 7.538 7.224 13.133 1.00 0.00 C ATOM 1449 C ALA A 92 8.326 8.391 12.559 1.00 0.00 C ATOM 1450 O ALA A 92 9.527 8.319 12.395 1.00 0.00 O ATOM 1451 CB ALA A 92 7.395 6.169 12.026 1.00 0.00 C ATOM 0 H ALA A 92 5.406 7.164 13.158 1.00 0.00 H new ATOM 0 HA ALA A 92 8.052 6.808 14.000 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.384 5.832 11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.825 5.320 12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.875 6.605 11.173 1.00 0.00 H new ATOM 1457 N GLY A 93 7.656 9.439 12.179 1.00 0.00 N ATOM 1458 CA GLY A 93 8.376 10.566 11.527 1.00 0.00 C ATOM 1459 C GLY A 93 8.408 10.208 10.052 1.00 0.00 C ATOM 1460 O GLY A 93 9.126 10.778 9.259 1.00 0.00 O ATOM 0 H GLY A 93 6.650 9.565 12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.861 11.512 11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.383 10.676 11.929 1.00 0.00 H new ATOM 1464 N LYS A 94 7.611 9.231 9.708 1.00 0.00 N ATOM 1465 CA LYS A 94 7.531 8.753 8.307 1.00 0.00 C ATOM 1466 C LYS A 94 6.057 8.689 7.936 1.00 0.00 C ATOM 1467 O LYS A 94 5.202 8.792 8.789 1.00 0.00 O ATOM 1468 CB LYS A 94 8.093 7.335 8.231 1.00 0.00 C ATOM 1469 CG LYS A 94 9.489 7.300 8.839 1.00 0.00 C ATOM 1470 CD LYS A 94 10.130 5.950 8.533 1.00 0.00 C ATOM 1471 CE LYS A 94 11.498 5.870 9.209 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.048 4.493 9.052 1.00 0.00 N ATOM 0 H LYS A 94 7.000 8.737 10.359 1.00 0.00 H new ATOM 0 HA LYS A 94 8.088 9.414 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.437 6.645 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.130 7.004 7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.098 8.107 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.434 7.455 9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.489 5.143 8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.237 5.822 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.178 6.598 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.409 6.119 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.979 4.437 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.402 3.809 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.147 4.272 8.041 1.00 0.00 H new ATOM 1486 N VAL A 95 5.752 8.492 6.685 1.00 0.00 N ATOM 1487 CA VAL A 95 4.321 8.389 6.266 1.00 0.00 C ATOM 1488 C VAL A 95 4.130 7.056 5.567 1.00 0.00 C ATOM 1489 O VAL A 95 4.848 6.719 4.645 1.00 0.00 O ATOM 1490 CB VAL A 95 3.995 9.555 5.324 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.725 9.258 4.507 1.00 0.00 C ATOM 1492 CG2 VAL A 95 3.774 10.810 6.172 1.00 0.00 C ATOM 0 H VAL A 95 6.431 8.397 5.930 1.00 0.00 H new ATOM 0 HA VAL A 95 3.652 8.443 7.125 1.00 0.00 H new ATOM 0 HB VAL A 95 4.821 9.700 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.513 10.098 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.877 8.358 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.884 9.107 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.541 11.653 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.946 10.643 6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.678 11.030 6.739 1.00 0.00 H new ATOM 1502 N TYR A 96 3.166 6.284 6.000 1.00 0.00 N ATOM 1503 CA TYR A 96 2.935 4.959 5.347 1.00 0.00 C ATOM 1504 C TYR A 96 1.454 4.632 5.281 1.00 0.00 C ATOM 1505 O TYR A 96 0.638 5.233 5.948 1.00 0.00 O ATOM 1506 CB TYR A 96 3.687 3.872 6.105 1.00 0.00 C ATOM 1507 CG TYR A 96 3.122 3.637 7.476 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.542 4.446 8.528 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.235 2.575 7.708 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.073 4.211 9.819 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.770 2.330 9.000 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.186 3.152 10.059 1.00 0.00 C ATOM 1513 OH TYR A 96 1.733 2.911 11.337 1.00 0.00 O ATOM 0 H TYR A 96 2.535 6.510 6.769 1.00 0.00 H new ATOM 0 HA TYR A 96 3.311 5.008 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.650 2.943 5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.737 4.152 6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.232 5.256 8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.913 1.949 6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.392 4.844 10.634 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.092 1.510 9.185 1.00 0.00 H new ATOM 0 HH TYR A 96 1.125 2.142 11.329 1.00 0.00 H new ATOM 1523 N LEU A 97 1.106 3.688 4.449 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.323 3.301 4.290 1.00 0.00 C ATOM 1525 C LEU A 97 -0.448 1.774 4.279 1.00 0.00 C ATOM 1526 O LEU A 97 0.448 1.054 3.847 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.881 3.896 2.984 1.00 0.00 C ATOM 1528 CG LEU A 97 0.142 3.775 1.827 1.00 0.00 C ATOM 1529 CD1 LEU A 97 -0.542 4.135 0.500 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.351 4.724 2.046 1.00 0.00 C ATOM 0 H LEU A 97 1.759 3.163 3.867 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.900 3.693 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.803 3.381 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.135 4.945 3.139 1.00 0.00 H new ATOM 0 HG LEU A 97 0.506 2.748 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.177 4.050 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.374 3.453 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.916 5.158 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.052 4.617 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.000 5.755 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.851 4.467 2.980 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.566 1.278 4.755 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.794 -0.195 4.799 1.00 0.00 C ATOM 1544 C LYS A 98 -3.234 -0.488 4.382 1.00 0.00 C ATOM 1545 O LYS A 98 -4.151 0.202 4.775 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.545 -0.705 6.231 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.674 -0.262 7.167 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.260 -0.501 8.626 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.123 -2.004 8.893 1.00 0.00 C ATOM 1550 NZ LYS A 98 -0.834 -2.503 8.342 1.00 0.00 N ATOM 0 H LYS A 98 -2.336 1.840 5.118 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.111 -0.701 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.474 -1.793 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.592 -0.324 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.896 0.793 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.585 -0.817 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.314 0.001 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.002 -0.070 9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.169 -2.197 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.955 -2.540 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.019 -3.095 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.238 -1.696 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.343 -3.067 9.064 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.449 -1.508 3.591 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.845 -1.824 3.165 1.00 0.00 C ATOM 1566 C ALA A 99 -4.941 -3.311 2.786 1.00 0.00 C ATOM 1567 O ALA A 99 -4.031 -3.841 2.181 1.00 0.00 O ATOM 1568 CB ALA A 99 -5.203 -0.973 1.942 1.00 0.00 C ATOM 0 H ALA A 99 -2.727 -2.129 3.225 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.533 -1.608 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.221 -1.200 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.130 0.084 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.513 -1.197 1.128 1.00 0.00 H new ATOM 1574 N PRO A 100 -6.034 -3.979 3.095 1.00 0.00 N ATOM 1575 CA PRO A 100 -6.224 -5.410 2.723 1.00 0.00 C ATOM 1576 C PRO A 100 -6.784 -5.525 1.303 1.00 0.00 C ATOM 1577 O PRO A 100 -7.942 -5.244 1.070 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.257 -5.881 3.739 1.00 0.00 C ATOM 1579 CG PRO A 100 -8.147 -4.694 3.902 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.213 -3.476 3.837 1.00 0.00 C ATOM 0 HA PRO A 100 -5.301 -5.990 2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.808 -6.750 3.379 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.792 -6.167 4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.899 -4.655 3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.681 -4.730 4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.683 -2.638 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.941 -3.126 4.833 1.00 0.00 H new ATOM 1588 N MET A 101 -5.979 -5.904 0.350 1.00 0.00 N ATOM 1589 CA MET A 101 -6.481 -6.000 -1.065 1.00 0.00 C ATOM 1590 C MET A 101 -6.648 -7.457 -1.505 1.00 0.00 C ATOM 1591 O MET A 101 -5.748 -8.256 -1.375 1.00 0.00 O ATOM 1592 CB MET A 101 -5.481 -5.303 -1.983 1.00 0.00 C ATOM 1593 CG MET A 101 -6.005 -5.329 -3.421 1.00 0.00 C ATOM 1594 SD MET A 101 -4.902 -4.368 -4.490 1.00 0.00 S ATOM 1595 CE MET A 101 -5.333 -2.711 -3.882 1.00 0.00 C ATOM 0 H MET A 101 -4.998 -6.152 0.481 1.00 0.00 H new ATOM 0 HA MET A 101 -7.459 -5.521 -1.122 1.00 0.00 H new ATOM 0 HB2 MET A 101 -5.329 -4.274 -1.658 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.513 -5.801 -1.928 1.00 0.00 H new ATOM 0 HG2 MET A 101 -6.067 -6.357 -3.777 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.013 -4.917 -3.458 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.628 -2.081 -4.721 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.160 -2.786 -3.176 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.470 -2.270 -3.384 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.789 -7.807 -2.057 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.981 -9.209 -2.535 1.00 0.00 C ATOM 1607 C ILE A 102 -7.524 -9.342 -3.983 1.00 0.00 C ATOM 1608 O ILE A 102 -7.958 -8.628 -4.862 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.450 -9.674 -2.389 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.434 -8.534 -2.678 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.688 -10.197 -0.976 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.870 -9.097 -2.660 1.00 0.00 C ATOM 0 H ILE A 102 -8.586 -7.186 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.370 -9.856 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.621 -10.467 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -10.328 -7.747 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.217 -8.085 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.723 -10.523 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.023 -11.039 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.488 -9.404 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.578 -8.294 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.967 -9.870 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -12.081 -9.526 -1.680 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.668 -10.302 -4.217 1.00 0.00 N ATOM 1625 CA LEU A 103 -6.155 -10.589 -5.583 1.00 0.00 C ATOM 1626 C LEU A 103 -6.979 -11.757 -6.114 1.00 0.00 C ATOM 1627 O LEU A 103 -7.877 -12.222 -5.444 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.674 -10.993 -5.498 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.794 -9.740 -5.426 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -4.197 -8.899 -4.214 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -2.328 -10.152 -5.284 1.00 0.00 C ATOM 0 H LEU A 103 -6.294 -10.916 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.236 -9.719 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.508 -11.615 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.401 -11.590 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.925 -9.156 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.570 -8.009 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.242 -8.603 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.067 -9.486 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.703 -9.261 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.201 -10.737 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.034 -10.753 -6.145 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.703 -12.238 -7.297 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.504 -13.386 -7.815 1.00 0.00 C ATOM 1645 C ASN A 104 -7.215 -14.611 -6.940 1.00 0.00 C ATOM 1646 O ASN A 104 -6.668 -15.601 -7.389 1.00 0.00 O ATOM 1647 CB ASN A 104 -7.117 -13.685 -9.269 1.00 0.00 C ATOM 1648 CG ASN A 104 -8.027 -14.786 -9.807 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -7.584 -15.885 -10.072 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -9.294 -14.536 -9.973 1.00 0.00 N ATOM 0 H ASN A 104 -5.971 -11.893 -7.918 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.566 -13.142 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.214 -12.786 -9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.074 -13.997 -9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.915 -15.264 -10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.665 -13.612 -9.750 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.581 -14.529 -5.686 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.344 -15.649 -4.737 1.00 0.00 C ATOM 1659 C GLY A 105 -7.956 -15.297 -3.376 1.00 0.00 C ATOM 1660 O GLY A 105 -9.066 -15.681 -3.062 1.00 0.00 O ATOM 0 H GLY A 105 -8.042 -13.717 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.788 -16.567 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.275 -15.832 -4.632 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.228 -14.574 -2.559 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.750 -14.191 -1.210 1.00 0.00 C ATOM 1666 C VAL A 106 -7.101 -12.862 -0.779 1.00 0.00 C ATOM 1667 O VAL A 106 -6.337 -12.268 -1.518 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.465 -15.313 -0.165 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.738 -15.605 0.662 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.027 -16.611 -0.873 1.00 0.00 C ATOM 0 H VAL A 106 -6.291 -14.232 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.831 -14.063 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.666 -14.969 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.528 -16.390 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.048 -14.700 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.537 -15.931 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.832 -17.383 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.819 -16.945 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.120 -16.424 -1.448 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.420 -12.386 0.398 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.851 -11.084 0.863 1.00 0.00 C ATOM 1682 C CYS A 107 -5.374 -11.203 1.239 1.00 0.00 C ATOM 1683 O CYS A 107 -4.927 -12.165 1.834 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.649 -10.574 2.067 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.003 -11.941 3.175 1.00 0.00 S ATOM 0 H CYS A 107 -8.050 -12.843 1.057 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.925 -10.378 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.083 -9.804 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.579 -10.114 1.732 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.181 -11.780 3.700 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.629 -10.187 0.907 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.177 -10.131 1.233 1.00 0.00 C ATOM 1693 C VAL A 108 -2.966 -8.774 1.905 1.00 0.00 C ATOM 1694 O VAL A 108 -3.695 -7.843 1.636 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.353 -10.235 -0.062 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.503 -8.962 -0.893 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.880 -10.450 0.274 1.00 0.00 C ATOM 0 H VAL A 108 -4.977 -9.368 0.408 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.862 -10.948 1.882 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.723 -11.082 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.914 -9.052 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.552 -8.817 -1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.150 -8.107 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.303 -10.523 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.515 -9.610 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.768 -11.371 0.846 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.030 -8.643 2.810 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.867 -7.325 3.513 1.00 0.00 C ATOM 1709 C ILE A 109 -0.686 -6.538 2.922 1.00 0.00 C ATOM 1710 O ILE A 109 0.445 -6.958 2.976 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.642 -7.622 5.006 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -2.069 -6.427 5.865 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.169 -7.945 5.304 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.858 -6.792 7.342 1.00 0.00 C ATOM 0 H ILE A 109 -1.379 -9.376 3.093 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.757 -6.709 3.383 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.251 -8.492 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.484 -5.545 5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.115 -6.182 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.049 -8.149 6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.135 -8.820 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.453 -7.095 5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.157 -5.953 7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.462 -7.665 7.591 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.806 -7.018 7.514 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.957 -5.384 2.369 1.00 0.00 N ATOM 1727 CA TRP A 110 0.125 -4.533 1.778 1.00 0.00 C ATOM 1728 C TRP A 110 0.352 -3.341 2.712 1.00 0.00 C ATOM 1729 O TRP A 110 -0.566 -2.608 2.997 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.360 -4.044 0.404 1.00 0.00 C ATOM 1731 CG TRP A 110 0.777 -3.494 -0.395 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.442 -4.163 -1.371 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.381 -2.173 -0.322 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.426 -3.337 -1.886 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.426 -2.101 -1.275 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.131 -1.039 0.474 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.194 -0.950 -1.430 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.905 0.122 0.314 1.00 0.00 C ATOM 1739 CH2 TRP A 110 2.932 0.164 -0.633 1.00 0.00 C ATOM 0 H TRP A 110 -1.894 -4.988 2.300 1.00 0.00 H new ATOM 0 HA TRP A 110 1.057 -5.087 1.662 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.825 -4.868 -0.137 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.123 -3.277 0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.237 -5.173 -1.693 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.072 -3.609 -2.627 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.341 -1.062 1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 3.987 -0.920 -2.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.705 0.988 0.927 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.523 1.060 -0.748 1.00 0.00 H new ATOM 1750 N LYS A 111 1.553 -3.131 3.200 1.00 0.00 N ATOM 1751 CA LYS A 111 1.797 -1.973 4.130 1.00 0.00 C ATOM 1752 C LYS A 111 3.170 -1.378 3.859 1.00 0.00 C ATOM 1753 O LYS A 111 4.097 -1.523 4.631 1.00 0.00 O ATOM 1754 CB LYS A 111 1.695 -2.439 5.589 1.00 0.00 C ATOM 1755 CG LYS A 111 2.315 -3.826 5.743 1.00 0.00 C ATOM 1756 CD LYS A 111 2.168 -4.273 7.195 1.00 0.00 C ATOM 1757 CE LYS A 111 2.948 -5.566 7.418 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.393 -6.658 6.564 1.00 0.00 N ATOM 0 H LYS A 111 2.371 -3.705 2.998 1.00 0.00 H new ATOM 0 HA LYS A 111 1.040 -1.208 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.205 -1.730 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.650 -2.463 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.822 -4.535 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.367 -3.802 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.536 -3.495 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.116 -4.426 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.001 -5.409 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.896 -5.854 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.876 -7.552 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.375 -6.759 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.542 -6.424 5.562 1.00 0.00 H new ATOM 1772 N GLY A 112 3.291 -0.697 2.760 1.00 0.00 N ATOM 1773 CA GLY A 112 4.589 -0.069 2.404 1.00 0.00 C ATOM 1774 C GLY A 112 4.790 1.197 3.214 1.00 0.00 C ATOM 1775 O GLY A 112 3.842 1.861 3.565 1.00 0.00 O ATOM 0 H GLY A 112 2.540 -0.547 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.405 -0.766 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.611 0.163 1.339 1.00 0.00 H new ATOM 1779 N TRP A 113 6.018 1.564 3.475 1.00 0.00 N ATOM 1780 CA TRP A 113 6.279 2.827 4.221 1.00 0.00 C ATOM 1781 C TRP A 113 7.431 3.567 3.565 1.00 0.00 C ATOM 1782 O TRP A 113 8.243 2.981 2.884 1.00 0.00 O ATOM 1783 CB TRP A 113 6.620 2.546 5.695 1.00 0.00 C ATOM 1784 CG TRP A 113 7.753 1.577 5.823 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.609 0.244 6.008 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.188 1.838 5.801 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.866 -0.332 6.105 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.870 0.611 5.982 1.00 0.00 C ATOM 1789 CE3 TRP A 113 9.953 3.009 5.645 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.265 0.548 6.006 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.356 2.951 5.665 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.011 1.720 5.849 1.00 0.00 C ATOM 0 H TRP A 113 6.851 1.042 3.203 1.00 0.00 H new ATOM 0 HA TRP A 113 5.376 3.436 4.193 1.00 0.00 H new ATOM 0 HB2 TRP A 113 6.881 3.480 6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.741 2.149 6.203 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.669 -0.284 6.070 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.030 -1.328 6.249 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.458 3.959 5.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.764 -0.400 6.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 11.934 3.855 5.539 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.090 1.680 5.869 1.00 0.00 H new ATOM 1803 N ILE A 114 7.503 4.851 3.781 1.00 0.00 N ATOM 1804 CA ILE A 114 8.598 5.671 3.196 1.00 0.00 C ATOM 1805 C ILE A 114 8.880 6.790 4.178 1.00 0.00 C ATOM 1806 O ILE A 114 7.989 7.255 4.860 1.00 0.00 O ATOM 1807 CB ILE A 114 8.173 6.295 1.838 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.718 6.857 1.898 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.299 5.256 0.730 1.00 0.00 C ATOM 1810 CD1 ILE A 114 5.675 5.797 1.493 1.00 0.00 C ATOM 0 H ILE A 114 6.837 5.375 4.349 1.00 0.00 H new ATOM 0 HA ILE A 114 9.473 5.045 3.018 1.00 0.00 H new ATOM 0 HB ILE A 114 8.839 7.131 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.506 7.208 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.634 7.720 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.000 5.699 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.333 4.919 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.654 4.406 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.676 6.230 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.871 5.465 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.740 4.945 2.170 1.00 0.00 H new ATOM 1822 N ASP A 115 10.097 7.236 4.271 1.00 0.00 N ATOM 1823 CA ASP A 115 10.380 8.328 5.223 1.00 0.00 C ATOM 1824 C ASP A 115 9.829 9.615 4.624 1.00 0.00 C ATOM 1825 O ASP A 115 9.451 9.660 3.471 1.00 0.00 O ATOM 1826 CB ASP A 115 11.884 8.430 5.465 1.00 0.00 C ATOM 1827 CG ASP A 115 12.136 9.042 6.847 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.276 9.772 7.314 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.175 8.762 7.418 1.00 0.00 O ATOM 0 H ASP A 115 10.895 6.895 3.736 1.00 0.00 H new ATOM 0 HA ASP A 115 9.907 8.139 6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.341 7.443 5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.347 9.044 4.693 1.00 0.00 H new ATOM 1834 N LEU A 116 9.733 10.647 5.398 1.00 0.00 N ATOM 1835 CA LEU A 116 9.144 11.899 4.859 1.00 0.00 C ATOM 1836 C LEU A 116 10.097 12.516 3.818 1.00 0.00 C ATOM 1837 O LEU A 116 9.717 13.407 3.089 1.00 0.00 O ATOM 1838 CB LEU A 116 8.851 12.875 6.030 1.00 0.00 C ATOM 1839 CG LEU A 116 7.577 13.732 5.763 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.787 14.663 4.559 1.00 0.00 C ATOM 1841 CD2 LEU A 116 6.344 12.826 5.533 1.00 0.00 C ATOM 0 H LEU A 116 10.032 10.683 6.372 1.00 0.00 H new ATOM 0 HA LEU A 116 8.201 11.687 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.721 12.308 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.707 13.533 6.178 1.00 0.00 H new ATOM 0 HG LEU A 116 7.395 14.346 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.885 15.251 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.624 15.332 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.001 14.067 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.466 13.446 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.521 12.182 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.175 12.211 6.417 1.00 0.00 H new ATOM 1853 N HIS A 117 11.332 12.047 3.726 1.00 0.00 N ATOM 1854 CA HIS A 117 12.285 12.615 2.712 1.00 0.00 C ATOM 1855 C HIS A 117 12.764 11.528 1.727 1.00 0.00 C ATOM 1856 O HIS A 117 13.131 11.832 0.610 1.00 0.00 O ATOM 1857 CB HIS A 117 13.511 13.192 3.430 1.00 0.00 C ATOM 1858 CG HIS A 117 14.272 12.077 4.089 1.00 0.00 C ATOM 1859 ND1 HIS A 117 15.594 11.797 3.779 1.00 0.00 N ATOM 1860 CD2 HIS A 117 13.909 11.166 5.044 1.00 0.00 C ATOM 1861 CE1 HIS A 117 15.974 10.750 4.536 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.980 10.324 5.325 1.00 0.00 N ATOM 0 H HIS A 117 11.714 11.301 4.307 1.00 0.00 H new ATOM 0 HA HIS A 117 11.761 13.393 2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.151 13.714 2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.199 13.924 4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 117 12.936 11.109 5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 117 16.959 10.308 4.510 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.003 9.550 5.989 1.00 0.00 H new ATOM 1870 N ARG A 118 12.789 10.265 2.122 1.00 0.00 N ATOM 1871 CA ARG A 118 13.281 9.197 1.181 1.00 0.00 C ATOM 1872 C ARG A 118 12.105 8.508 0.473 1.00 0.00 C ATOM 1873 O ARG A 118 11.250 7.905 1.093 1.00 0.00 O ATOM 1874 CB ARG A 118 14.134 8.161 1.965 1.00 0.00 C ATOM 1875 CG ARG A 118 13.267 7.017 2.533 1.00 0.00 C ATOM 1876 CD ARG A 118 14.087 6.160 3.500 1.00 0.00 C ATOM 1877 NE ARG A 118 15.094 5.359 2.750 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.103 4.819 3.384 1.00 0.00 C ATOM 1879 NH1 ARG A 118 16.253 5.002 4.668 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.968 4.096 2.732 1.00 0.00 N ATOM 0 H ARG A 118 12.494 9.935 3.041 1.00 0.00 H new ATOM 0 HA ARG A 118 13.903 9.662 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 118 14.897 7.746 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 118 14.655 8.662 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.400 7.430 3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.890 6.399 1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 118 14.588 6.798 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.427 5.497 4.059 1.00 0.00 H new ATOM 0 HE ARG A 118 14.997 5.232 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.581 5.569 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 118 17.042 4.577 5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.858 3.951 1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.755 3.674 3.225 1.00 0.00 H new ATOM 1894 N LEU A 119 12.072 8.589 -0.830 1.00 0.00 N ATOM 1895 CA LEU A 119 10.978 7.935 -1.615 1.00 0.00 C ATOM 1896 C LEU A 119 11.390 6.500 -1.969 1.00 0.00 C ATOM 1897 O LEU A 119 10.911 5.943 -2.932 1.00 0.00 O ATOM 1898 CB LEU A 119 10.725 8.694 -2.922 1.00 0.00 C ATOM 1899 CG LEU A 119 10.089 10.066 -2.644 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.682 9.901 -2.035 1.00 0.00 C ATOM 1901 CD2 LEU A 119 10.989 10.873 -1.693 1.00 0.00 C ATOM 0 H LEU A 119 12.763 9.085 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 119 10.073 7.938 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.665 8.826 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 119 10.069 8.108 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 119 9.991 10.604 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.250 10.884 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.047 9.353 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.754 9.350 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.534 11.844 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 119 11.104 10.332 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 119 11.968 11.015 -2.152 1.00 0.00 H new ATOM 1913 N ASP A 120 12.297 5.911 -1.219 1.00 0.00 N ATOM 1914 CA ASP A 120 12.764 4.506 -1.522 1.00 0.00 C ATOM 1915 C ASP A 120 12.657 3.639 -0.257 1.00 0.00 C ATOM 1916 O ASP A 120 13.571 2.925 0.102 1.00 0.00 O ATOM 1917 CB ASP A 120 14.219 4.543 -2.017 1.00 0.00 C ATOM 1918 CG ASP A 120 15.137 5.074 -0.911 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.634 5.361 0.163 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.327 5.191 -1.160 1.00 0.00 O ATOM 0 H ASP A 120 12.738 6.341 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 120 12.134 4.074 -2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.536 3.543 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.295 5.178 -2.900 1.00 0.00 H new ATOM 1925 N GLY A 121 11.544 3.709 0.420 1.00 0.00 N ATOM 1926 CA GLY A 121 11.352 2.913 1.668 1.00 0.00 C ATOM 1927 C GLY A 121 11.329 1.427 1.362 1.00 0.00 C ATOM 1928 O GLY A 121 11.836 0.963 0.361 1.00 0.00 O ATOM 0 H GLY A 121 10.748 4.291 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.156 3.132 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.419 3.204 2.150 1.00 0.00 H new ATOM 1932 N MET A 122 10.709 0.683 2.236 1.00 0.00 N ATOM 1933 CA MET A 122 10.591 -0.788 2.051 1.00 0.00 C ATOM 1934 C MET A 122 9.136 -1.168 2.331 1.00 0.00 C ATOM 1935 O MET A 122 8.407 -0.434 2.967 1.00 0.00 O ATOM 1936 CB MET A 122 11.501 -1.514 3.049 1.00 0.00 C ATOM 1937 CG MET A 122 12.964 -1.105 2.831 1.00 0.00 C ATOM 1938 SD MET A 122 14.034 -2.100 3.907 1.00 0.00 S ATOM 1939 CE MET A 122 13.854 -3.688 3.053 1.00 0.00 C ATOM 0 H MET A 122 10.272 1.041 3.085 1.00 0.00 H new ATOM 0 HA MET A 122 10.885 -1.070 1.040 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.198 -1.275 4.068 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.396 -2.592 2.929 1.00 0.00 H new ATOM 0 HG2 MET A 122 13.242 -1.251 1.787 1.00 0.00 H new ATOM 0 HG3 MET A 122 13.094 -0.045 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 122 13.258 -4.365 3.665 1.00 0.00 H new ATOM 0 HE2 MET A 122 13.357 -3.532 2.096 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.839 -4.124 2.884 1.00 0.00 H new ATOM 1949 N GLY A 123 8.696 -2.300 1.868 1.00 0.00 N ATOM 1950 CA GLY A 123 7.283 -2.688 2.123 1.00 0.00 C ATOM 1951 C GLY A 123 7.159 -4.194 2.069 1.00 0.00 C ATOM 1952 O GLY A 123 7.269 -4.817 1.027 1.00 0.00 O ATOM 0 H GLY A 123 9.246 -2.969 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 123 6.964 -2.320 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.629 -2.231 1.380 1.00 0.00 H new ATOM 1956 N CYS A 124 6.946 -4.787 3.205 1.00 0.00 N ATOM 1957 CA CYS A 124 6.809 -6.257 3.267 1.00 0.00 C ATOM 1958 C CYS A 124 5.386 -6.659 2.927 1.00 0.00 C ATOM 1959 O CYS A 124 4.427 -6.112 3.440 1.00 0.00 O ATOM 1960 CB CYS A 124 7.157 -6.750 4.664 1.00 0.00 C ATOM 1961 SG CYS A 124 7.236 -8.559 4.660 1.00 0.00 S ATOM 0 H CYS A 124 6.861 -4.308 4.101 1.00 0.00 H new ATOM 0 HA CYS A 124 7.491 -6.706 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 124 8.113 -6.334 4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.408 -6.409 5.379 1.00 0.00 H new ATOM 0 HG CYS A 124 7.535 -8.983 5.852 1.00 0.00 H new ATOM 1967 N LEU A 125 5.250 -7.628 2.076 1.00 0.00 N ATOM 1968 CA LEU A 125 3.892 -8.121 1.678 1.00 0.00 C ATOM 1969 C LEU A 125 3.769 -9.589 2.095 1.00 0.00 C ATOM 1970 O LEU A 125 4.677 -10.376 1.921 1.00 0.00 O ATOM 1971 CB LEU A 125 3.742 -7.936 0.167 1.00 0.00 C ATOM 1972 CG LEU A 125 2.463 -8.579 -0.369 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.244 -7.862 0.210 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.457 -8.435 -1.896 1.00 0.00 C ATOM 0 H LEU A 125 6.028 -8.112 1.628 1.00 0.00 H new ATOM 0 HA LEU A 125 3.095 -7.564 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.738 -6.872 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.605 -8.371 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 125 2.425 -9.631 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.334 -8.323 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.259 -7.939 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.268 -6.811 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.552 -8.888 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.484 -7.378 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.331 -8.937 -2.312 1.00 0.00 H new ATOM 1986 N GLU A 126 2.663 -9.943 2.703 1.00 0.00 N ATOM 1987 CA GLU A 126 2.484 -11.354 3.199 1.00 0.00 C ATOM 1988 C GLU A 126 1.021 -11.818 3.131 1.00 0.00 C ATOM 1989 O GLU A 126 0.128 -11.161 3.628 1.00 0.00 O ATOM 1990 CB GLU A 126 2.906 -11.437 4.674 1.00 0.00 C ATOM 1991 CG GLU A 126 4.386 -11.096 4.837 1.00 0.00 C ATOM 1992 CD GLU A 126 5.246 -12.104 4.076 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.790 -13.221 3.876 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.351 -11.751 3.718 1.00 0.00 O ATOM 0 H GLU A 126 1.874 -9.321 2.880 1.00 0.00 H new ATOM 0 HA GLU A 126 3.095 -11.989 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.303 -10.751 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.716 -12.440 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.578 -10.089 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.654 -11.102 5.893 1.00 0.00 H new ATOM 2001 N PHE A 127 0.788 -12.987 2.586 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.593 -13.552 2.554 1.00 0.00 C ATOM 2003 C PHE A 127 -0.892 -14.142 3.942 1.00 0.00 C ATOM 2004 O PHE A 127 -0.581 -15.283 4.212 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.642 -14.656 1.464 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.504 -14.214 0.294 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.877 -14.463 0.319 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -0.935 -13.553 -0.806 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -3.687 -14.057 -0.752 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -1.742 -13.145 -1.872 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.120 -13.396 -1.847 1.00 0.00 C ATOM 0 H PHE A 127 1.502 -13.577 2.159 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.336 -12.790 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.367 -14.876 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.041 -15.577 1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -3.317 -14.970 1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.127 -13.359 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -4.749 -14.255 -0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.302 -12.635 -2.717 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.743 -13.080 -2.671 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.485 -13.380 4.828 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.781 -13.935 6.190 1.00 0.00 C ATOM 2023 C ASP A 128 -2.989 -13.239 6.793 1.00 0.00 C ATOM 2024 O ASP A 128 -3.166 -13.210 7.995 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.565 -13.740 7.109 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.643 -14.708 8.291 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.600 -15.464 8.355 1.00 0.00 O ATOM 2028 OD2 ASP A 128 0.253 -14.675 9.116 1.00 0.00 O ATOM 0 H ASP A 128 -1.774 -12.414 4.674 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.996 -14.999 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.355 -13.909 6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.533 -12.712 7.471 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.808 -12.666 5.982 1.00 0.00 N ATOM 2034 CA GLU A 129 -4.988 -11.962 6.525 1.00 0.00 C ATOM 2035 C GLU A 129 -5.965 -12.953 7.175 1.00 0.00 C ATOM 2036 O GLU A 129 -6.423 -13.922 6.570 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.666 -11.182 5.403 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.797 -9.997 4.977 1.00 0.00 C ATOM 2039 CD GLU A 129 -4.785 -8.944 6.090 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -3.994 -9.087 7.006 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -5.563 -8.010 6.008 1.00 0.00 O ATOM 0 H GLU A 129 -3.716 -12.652 4.966 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.667 -11.266 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.842 -11.838 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.640 -10.825 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.781 -10.334 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.183 -9.562 4.055 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.308 -12.708 8.409 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.261 -13.611 9.090 1.00 0.00 C ATOM 2050 C GLU A 130 -8.584 -13.575 8.343 1.00 0.00 C ATOM 2051 O GLU A 130 -9.315 -14.536 8.322 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.446 -13.197 10.544 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.088 -11.818 10.621 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.030 -11.331 12.067 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.681 -11.940 12.901 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.329 -10.367 12.322 1.00 0.00 O ATOM 0 H GLU A 130 -5.969 -11.925 8.968 1.00 0.00 H new ATOM 0 HA GLU A 130 -6.871 -14.629 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.070 -13.926 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.482 -13.186 11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.565 -11.121 9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.122 -11.863 10.279 1.00 0.00 H new ATOM 2063 N ARG A 131 -8.893 -12.487 7.701 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.168 -12.461 6.936 1.00 0.00 C ATOM 2065 C ARG A 131 -9.994 -13.368 5.710 1.00 0.00 C ATOM 2066 O ARG A 131 -10.950 -13.747 5.064 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.550 -11.027 6.529 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.307 -10.238 6.148 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.698 -8.825 5.714 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.592 -8.902 4.527 1.00 0.00 N ATOM 2071 CZ ARG A 131 -11.284 -7.858 4.160 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -11.180 -6.738 4.824 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -12.091 -7.944 3.139 1.00 0.00 N ATOM 0 H ARG A 131 -8.335 -11.634 7.671 1.00 0.00 H new ATOM 0 HA ARG A 131 -10.986 -12.827 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.244 -11.053 5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.065 -10.533 7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.622 -10.191 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.779 -10.743 5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -10.203 -8.309 6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -8.806 -8.246 5.474 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.664 -9.772 3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -10.558 -6.679 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -11.721 -5.923 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -12.179 -8.824 2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -12.634 -7.131 2.848 1.00 0.00 H new ATOM 2087 N ALA A 132 -8.772 -13.762 5.424 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.528 -14.692 4.281 1.00 0.00 C ATOM 2089 C ALA A 132 -9.178 -16.014 4.605 1.00 0.00 C ATOM 2090 O ALA A 132 -9.870 -16.599 3.793 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.026 -14.914 4.084 1.00 0.00 C ATOM 0 H ALA A 132 -7.936 -13.477 5.935 1.00 0.00 H new ATOM 0 HA ALA A 132 -8.943 -14.264 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -6.865 -15.594 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.542 -13.960 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.600 -15.346 4.990 1.00 0.00 H new ATOM 2097 N GLN A 133 -8.968 -16.506 5.780 1.00 0.00 N ATOM 2098 CA GLN A 133 -9.598 -17.808 6.111 1.00 0.00 C ATOM 2099 C GLN A 133 -11.131 -17.663 6.085 1.00 0.00 C ATOM 2100 O GLN A 133 -11.833 -18.519 5.577 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.100 -18.290 7.491 1.00 0.00 C ATOM 2102 CG GLN A 133 -9.944 -17.700 8.626 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.215 -17.884 9.952 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.112 -17.407 10.122 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -9.784 -18.562 10.907 1.00 0.00 N ATOM 0 H GLN A 133 -8.402 -16.080 6.514 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.316 -18.556 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.139 -19.378 7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.057 -18.003 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.128 -16.641 8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -10.917 -18.191 8.663 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.711 -18.963 10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.303 -18.692 11.797 1.00 0.00 H new ATOM 2114 N GLN A 134 -11.666 -16.595 6.631 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.155 -16.448 6.632 1.00 0.00 C ATOM 2116 C GLN A 134 -13.678 -15.970 5.262 1.00 0.00 C ATOM 2117 O GLN A 134 -14.688 -16.452 4.789 1.00 0.00 O ATOM 2118 CB GLN A 134 -13.583 -15.500 7.778 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.669 -14.041 7.310 1.00 0.00 C ATOM 2120 CD GLN A 134 -15.002 -13.818 6.595 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -16.011 -14.362 7.001 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -15.054 -13.052 5.539 1.00 0.00 N ATOM 0 H GLN A 134 -11.147 -15.833 7.068 1.00 0.00 H new ATOM 0 HA GLN A 134 -13.605 -17.425 6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -14.551 -15.814 8.167 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -12.870 -15.577 8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.583 -13.368 8.163 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -12.841 -13.813 6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.208 -12.595 5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.941 -12.910 5.055 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.030 -15.032 4.613 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.566 -14.579 3.296 1.00 0.00 C ATOM 2133 C GLU A 135 -13.439 -15.715 2.284 1.00 0.00 C ATOM 2134 O GLU A 135 -14.253 -15.854 1.395 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.825 -13.321 2.796 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.542 -13.684 2.043 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.699 -12.414 1.849 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -11.011 -11.416 2.479 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.769 -12.450 1.061 1.00 0.00 O ATOM 0 H GLU A 135 -12.176 -14.572 4.929 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.617 -14.314 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.482 -12.747 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.581 -12.681 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.976 -14.430 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.785 -14.126 1.077 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.429 -16.532 2.410 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.273 -17.655 1.445 1.00 0.00 C ATOM 2148 C ASP A 136 -13.504 -18.543 1.543 1.00 0.00 C ATOM 2149 O ASP A 136 -14.080 -18.946 0.551 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.001 -18.448 1.773 1.00 0.00 C ATOM 2151 CG ASP A 136 -10.818 -19.572 0.748 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.745 -19.818 -0.004 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.755 -20.175 0.741 1.00 0.00 O ATOM 0 H ASP A 136 -11.712 -16.471 3.133 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.180 -17.275 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.135 -17.787 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.069 -18.866 2.777 1.00 0.00 H new ATOM 2158 N ALA A 137 -13.940 -18.830 2.734 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.164 -19.660 2.866 1.00 0.00 C ATOM 2160 C ALA A 137 -16.353 -18.873 2.281 1.00 0.00 C ATOM 2161 O ALA A 137 -17.188 -19.414 1.583 1.00 0.00 O ATOM 2162 CB ALA A 137 -15.408 -19.994 4.344 1.00 0.00 C ATOM 0 H ALA A 137 -13.510 -18.531 3.609 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.047 -20.597 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.307 -20.603 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -14.554 -20.545 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -15.536 -19.071 4.909 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.422 -17.589 2.558 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.541 -16.746 2.023 1.00 0.00 C ATOM 2170 C LEU A 138 -17.190 -16.246 0.624 1.00 0.00 C ATOM 2171 O LEU A 138 -17.906 -15.449 0.049 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.764 -15.531 2.930 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.106 -15.990 4.350 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.323 -14.753 5.237 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.376 -16.866 4.335 1.00 0.00 C ATOM 0 H LEU A 138 -15.747 -17.087 3.135 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.445 -17.354 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -16.868 -14.910 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.572 -14.915 2.534 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.285 -16.585 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.567 -15.071 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.413 -14.153 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.143 -14.157 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.609 -17.186 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.211 -16.290 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.207 -17.742 3.708 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.089 -16.668 0.073 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.725 -16.173 -1.280 1.00 0.00 C ATOM 2189 C ALA A 139 -16.818 -16.590 -2.270 1.00 0.00 C ATOM 2190 O ALA A 139 -16.940 -16.045 -3.347 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.383 -16.771 -1.713 1.00 0.00 C ATOM 0 H ALA A 139 -15.433 -17.326 0.494 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.636 -15.087 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.124 -16.403 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.609 -16.478 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.460 -17.858 -1.738 1.00 0.00 H new