USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 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 67 CYS SG : rot 142:sc= 2.03 USER MOD Set 1.2: A 70 CYS SG : rot -42:sc= 1.36 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.564 K(o=3.6,f=-3) USER MOD Set 1.4: A 88 HIS : no HD1:sc= -0.313 K(o=3.6,f=-2.9) USER MOD Set 2.1: A 76 SER OG : rot -153:sc= 0.956 USER MOD Set 2.2: A 79 HIS : no HD1:sc= 0.782 K(o=1.7,f=-4.1!) USER MOD Set 3.1: A 40 CYS SG : rot 128:sc= 2.15 USER MOD Set 3.2: A 43 CYS SG : rot -43:sc= 1.22 USER MOD Set 3.3: A 56 HIS : no HE2:sc= 0.395 K(o=4.2,f=-1.8) USER MOD Set 3.4: A 60 HIS : no HD1:sc= 0.398 K(o=4.2,f=-2) USER MOD Set 4.1: A 12 CYS SG : rot 149:sc= 2.19 USER MOD Set 4.2: A 15 CYS SG : rot -41:sc= 2.18 USER MOD Set 4.3: A 17 LYS NZ :NH3+ 159:sc= 1.4 (180deg=-0.186) USER MOD Set 4.4: A 28 HIS : no HE2:sc= 0.124 K(o=5.9,f=2.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.038) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 130:sc= 0.973 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 54 ASN : amide:sc= 0.0591 K(o=0.059,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 160:sc= -0.1 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 14.120 17.207 -5.063 1.00 0.00 N ATOM 110 CA PHE A 10 14.448 15.808 -5.376 1.00 0.00 C ATOM 111 C PHE A 10 14.011 15.456 -6.813 1.00 0.00 C ATOM 112 O PHE A 10 12.980 15.941 -7.277 1.00 0.00 O ATOM 113 CB PHE A 10 13.768 14.891 -4.345 1.00 0.00 C ATOM 114 CG PHE A 10 14.148 15.160 -2.899 1.00 0.00 C ATOM 115 CD1 PHE A 10 13.434 16.111 -2.146 1.00 0.00 C ATOM 116 CD2 PHE A 10 15.222 14.469 -2.306 1.00 0.00 C ATOM 117 CE1 PHE A 10 13.785 16.369 -0.810 1.00 0.00 C ATOM 118 CE2 PHE A 10 15.574 14.725 -0.968 1.00 0.00 C ATOM 119 CZ PHE A 10 14.851 15.670 -0.218 1.00 0.00 C ATOM 0 HA PHE A 10 15.527 15.664 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.688 14.994 -4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.014 13.856 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.611 16.646 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.777 13.741 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.236 17.103 -0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.400 14.195 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 10 15.115 15.858 0.812 1.00 0.00 H new ATOM 129 N THR A 11 14.765 14.606 -7.522 1.00 0.00 N ATOM 130 CA THR A 11 14.573 14.350 -8.965 1.00 0.00 C ATOM 131 C THR A 11 14.653 12.855 -9.309 1.00 0.00 C ATOM 132 O THR A 11 15.548 12.152 -8.830 1.00 0.00 O ATOM 133 CB THR A 11 15.615 15.138 -9.781 1.00 0.00 C ATOM 134 OG1 THR A 11 15.587 16.509 -9.430 1.00 0.00 O ATOM 135 CG2 THR A 11 15.376 15.074 -11.287 1.00 0.00 C ATOM 0 H THR A 11 15.531 14.071 -7.113 1.00 0.00 H new ATOM 0 HA THR A 11 13.570 14.687 -9.225 1.00 0.00 H new ATOM 0 HB THR A 11 16.572 14.672 -9.546 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.256 16.995 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.145 15.650 -11.802 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.417 14.036 -11.618 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.395 15.490 -11.518 1.00 0.00 H new ATOM 143 N CYS A 12 13.746 12.378 -10.168 1.00 0.00 N ATOM 144 CA CYS A 12 13.720 11.012 -10.701 1.00 0.00 C ATOM 145 C CYS A 12 14.880 10.764 -11.683 1.00 0.00 C ATOM 146 O CYS A 12 15.111 11.543 -12.611 1.00 0.00 O ATOM 147 CB CYS A 12 12.345 10.780 -11.342 1.00 0.00 C ATOM 148 SG CYS A 12 12.230 9.095 -12.016 1.00 0.00 S ATOM 0 H CYS A 12 12.983 12.953 -10.524 1.00 0.00 H new ATOM 0 HA CYS A 12 13.865 10.292 -9.896 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.561 10.935 -10.601 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.181 11.508 -12.137 1.00 0.00 H new ATOM 0 HG CYS A 12 10.998 8.686 -11.954 1.00 0.00 H new ATOM 153 N GLU A 13 15.596 9.654 -11.501 1.00 0.00 N ATOM 154 CA GLU A 13 16.702 9.243 -12.377 1.00 0.00 C ATOM 155 C GLU A 13 16.241 8.509 -13.654 1.00 0.00 C ATOM 156 O GLU A 13 17.055 8.267 -14.550 1.00 0.00 O ATOM 157 CB GLU A 13 17.735 8.431 -11.576 1.00 0.00 C ATOM 158 CG GLU A 13 17.232 7.057 -11.110 1.00 0.00 C ATOM 159 CD GLU A 13 18.316 6.334 -10.286 1.00 0.00 C ATOM 160 OE1 GLU A 13 19.223 5.704 -10.884 1.00 0.00 O ATOM 161 OE2 GLU A 13 18.279 6.399 -9.034 1.00 0.00 O ATOM 0 H GLU A 13 15.425 9.005 -10.733 1.00 0.00 H new ATOM 0 HA GLU A 13 17.180 10.153 -12.741 1.00 0.00 H new ATOM 0 HB2 GLU A 13 18.625 8.291 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.038 9.010 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.331 7.178 -10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.960 6.451 -11.974 1.00 0.00 H new ATOM 168 N TYR A 14 14.948 8.167 -13.757 1.00 0.00 N ATOM 169 CA TYR A 14 14.384 7.371 -14.855 1.00 0.00 C ATOM 170 C TYR A 14 13.521 8.186 -15.837 1.00 0.00 C ATOM 171 O TYR A 14 13.500 7.860 -17.028 1.00 0.00 O ATOM 172 CB TYR A 14 13.564 6.217 -14.270 1.00 0.00 C ATOM 173 CG TYR A 14 14.324 5.244 -13.388 1.00 0.00 C ATOM 174 CD1 TYR A 14 15.100 4.223 -13.972 1.00 0.00 C ATOM 175 CD2 TYR A 14 14.213 5.327 -11.984 1.00 0.00 C ATOM 176 CE1 TYR A 14 15.758 3.283 -13.157 1.00 0.00 C ATOM 177 CE2 TYR A 14 14.864 4.381 -11.166 1.00 0.00 C ATOM 178 CZ TYR A 14 15.639 3.356 -11.752 1.00 0.00 C ATOM 179 OH TYR A 14 16.269 2.433 -10.972 1.00 0.00 O ATOM 0 H TYR A 14 14.252 8.442 -13.064 1.00 0.00 H new ATOM 0 HA TYR A 14 15.226 6.995 -15.437 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.743 6.638 -13.690 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.119 5.659 -15.094 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.190 4.162 -15.047 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.628 6.116 -11.535 1.00 0.00 H new ATOM 0 HE1 TYR A 14 16.355 2.504 -13.607 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.770 4.440 -10.092 1.00 0.00 H new ATOM 0 HH TYR A 14 16.088 2.624 -10.028 1.00 0.00 H new ATOM 189 N CYS A 15 12.827 9.234 -15.366 1.00 0.00 N ATOM 190 CA CYS A 15 11.976 10.112 -16.192 1.00 0.00 C ATOM 191 C CYS A 15 12.187 11.630 -15.970 1.00 0.00 C ATOM 192 O CYS A 15 11.468 12.450 -16.547 1.00 0.00 O ATOM 193 CB CYS A 15 10.506 9.665 -16.094 1.00 0.00 C ATOM 194 SG CYS A 15 9.791 9.951 -14.461 1.00 0.00 S ATOM 0 H CYS A 15 12.840 9.502 -14.382 1.00 0.00 H new ATOM 0 HA CYS A 15 12.302 9.984 -17.224 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.919 10.199 -16.841 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.438 8.604 -16.334 1.00 0.00 H new ATOM 0 HG CYS A 15 10.662 9.644 -13.546 1.00 0.00 H new ATOM 199 N ASN A 16 13.192 12.013 -15.169 1.00 0.00 N ATOM 200 CA ASN A 16 13.621 13.399 -14.909 1.00 0.00 C ATOM 201 C ASN A 16 12.549 14.334 -14.297 1.00 0.00 C ATOM 202 O ASN A 16 12.729 15.554 -14.277 1.00 0.00 O ATOM 203 CB ASN A 16 14.330 13.979 -16.152 1.00 0.00 C ATOM 204 CG ASN A 16 15.483 13.115 -16.637 1.00 0.00 C ATOM 205 OD1 ASN A 16 15.388 12.398 -17.622 1.00 0.00 O ATOM 206 ND2 ASN A 16 16.612 13.146 -15.960 1.00 0.00 N ATOM 0 H ASN A 16 13.756 11.333 -14.659 1.00 0.00 H new ATOM 0 HA ASN A 16 14.347 13.345 -14.097 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.604 14.092 -16.957 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.704 14.976 -15.918 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.402 12.573 -16.259 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.697 13.743 -15.137 1.00 0.00 H new ATOM 213 N LYS A 17 11.454 13.779 -13.758 1.00 0.00 N ATOM 214 CA LYS A 17 10.453 14.507 -12.961 1.00 0.00 C ATOM 215 C LYS A 17 11.049 15.047 -11.662 1.00 0.00 C ATOM 216 O LYS A 17 11.950 14.441 -11.080 1.00 0.00 O ATOM 217 CB LYS A 17 9.269 13.592 -12.635 1.00 0.00 C ATOM 218 CG LYS A 17 8.367 13.350 -13.844 1.00 0.00 C ATOM 219 CD LYS A 17 7.282 12.345 -13.436 1.00 0.00 C ATOM 220 CE LYS A 17 6.424 11.840 -14.598 1.00 0.00 C ATOM 221 NZ LYS A 17 7.243 11.225 -15.677 1.00 0.00 N ATOM 0 H LYS A 17 11.234 12.789 -13.866 1.00 0.00 H new ATOM 0 HA LYS A 17 10.113 15.353 -13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.643 12.636 -12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.682 14.035 -11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.915 14.285 -14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.948 12.964 -14.681 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.757 11.491 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.632 12.810 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.707 11.108 -14.226 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.848 12.669 -15.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.645 10.597 -16.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.640 11.973 -16.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.017 10.675 -15.254 1.00 0.00 H new ATOM 235 N VAL A 18 10.503 16.166 -11.199 1.00 0.00 N ATOM 236 CA VAL A 18 10.990 16.932 -10.039 1.00 0.00 C ATOM 237 C VAL A 18 9.918 17.009 -8.946 1.00 0.00 C ATOM 238 O VAL A 18 8.741 17.250 -9.232 1.00 0.00 O ATOM 239 CB VAL A 18 11.468 18.331 -10.479 1.00 0.00 C ATOM 240 CG1 VAL A 18 12.057 19.115 -9.307 1.00 0.00 C ATOM 241 CG2 VAL A 18 12.565 18.248 -11.553 1.00 0.00 C ATOM 0 H VAL A 18 9.680 16.586 -11.631 1.00 0.00 H new ATOM 0 HA VAL A 18 11.847 16.412 -9.611 1.00 0.00 H new ATOM 0 HB VAL A 18 10.585 18.832 -10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.384 20.096 -9.653 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.299 19.237 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.909 18.572 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.874 19.254 -11.836 1.00 0.00 H new ATOM 0 HG22 VAL A 18 13.422 17.703 -11.157 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.178 17.728 -12.429 1.00 0.00 H new ATOM 251 N PHE A 19 10.329 16.810 -7.691 1.00 0.00 N ATOM 252 CA PHE A 19 9.482 16.695 -6.500 1.00 0.00 C ATOM 253 C PHE A 19 10.046 17.535 -5.339 1.00 0.00 C ATOM 254 O PHE A 19 11.264 17.660 -5.181 1.00 0.00 O ATOM 255 CB PHE A 19 9.367 15.209 -6.102 1.00 0.00 C ATOM 256 CG PHE A 19 8.842 14.293 -7.198 1.00 0.00 C ATOM 257 CD1 PHE A 19 9.739 13.687 -8.100 1.00 0.00 C ATOM 258 CD2 PHE A 19 7.459 14.075 -7.345 1.00 0.00 C ATOM 259 CE1 PHE A 19 9.254 12.897 -9.159 1.00 0.00 C ATOM 260 CE2 PHE A 19 6.975 13.288 -8.409 1.00 0.00 C ATOM 261 CZ PHE A 19 7.870 12.710 -9.328 1.00 0.00 C ATOM 0 H PHE A 19 11.320 16.719 -7.465 1.00 0.00 H new ATOM 0 HA PHE A 19 8.489 17.083 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 19 10.349 14.854 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.710 15.129 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.803 13.829 -7.978 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.767 14.512 -6.640 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.947 12.432 -9.845 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.913 13.128 -8.520 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.497 12.127 -10.157 1.00 0.00 H new ATOM 271 N LYS A 20 9.170 18.095 -4.492 1.00 0.00 N ATOM 272 CA LYS A 20 9.568 18.904 -3.320 1.00 0.00 C ATOM 273 C LYS A 20 10.144 18.084 -2.165 1.00 0.00 C ATOM 274 O LYS A 20 11.070 18.541 -1.496 1.00 0.00 O ATOM 275 CB LYS A 20 8.414 19.794 -2.832 1.00 0.00 C ATOM 276 CG LYS A 20 7.059 19.095 -2.647 1.00 0.00 C ATOM 277 CD LYS A 20 6.023 20.122 -2.182 1.00 0.00 C ATOM 278 CE LYS A 20 4.665 19.446 -1.951 1.00 0.00 C ATOM 279 NZ LYS A 20 3.638 20.423 -1.504 1.00 0.00 N ATOM 0 H LYS A 20 8.160 18.002 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 20 10.380 19.540 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.703 20.241 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.286 20.611 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.741 18.638 -3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.147 18.292 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.361 20.597 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.922 20.910 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.335 18.966 -2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.771 18.661 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.733 19.932 -1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.942 20.863 -0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.520 21.159 -2.230 1.00 0.00 H new ATOM 293 N PHE A 21 9.601 16.891 -1.923 1.00 0.00 N ATOM 294 CA PHE A 21 9.886 16.070 -0.740 1.00 0.00 C ATOM 295 C PHE A 21 10.433 14.686 -1.125 1.00 0.00 C ATOM 296 O PHE A 21 10.042 14.116 -2.150 1.00 0.00 O ATOM 297 CB PHE A 21 8.612 15.931 0.116 1.00 0.00 C ATOM 298 CG PHE A 21 7.863 17.194 0.534 1.00 0.00 C ATOM 299 CD1 PHE A 21 8.508 18.437 0.718 1.00 0.00 C ATOM 300 CD2 PHE A 21 6.477 17.108 0.779 1.00 0.00 C ATOM 301 CE1 PHE A 21 7.784 19.560 1.158 1.00 0.00 C ATOM 302 CE2 PHE A 21 5.753 18.227 1.227 1.00 0.00 C ATOM 303 CZ PHE A 21 6.409 19.454 1.423 1.00 0.00 C ATOM 0 H PHE A 21 8.933 16.455 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 21 10.659 16.571 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.913 15.300 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.882 15.392 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.566 18.526 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.965 16.170 0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.287 20.506 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.694 18.143 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.858 20.313 1.776 1.00 0.00 H new ATOM 313 N LYS A 22 11.291 14.105 -0.272 1.00 0.00 N ATOM 314 CA LYS A 22 11.903 12.783 -0.500 1.00 0.00 C ATOM 315 C LYS A 22 10.855 11.673 -0.601 1.00 0.00 C ATOM 316 O LYS A 22 10.940 10.834 -1.493 1.00 0.00 O ATOM 317 CB LYS A 22 12.931 12.492 0.610 1.00 0.00 C ATOM 318 CG LYS A 22 13.744 11.216 0.324 1.00 0.00 C ATOM 319 CD LYS A 22 14.759 10.881 1.428 1.00 0.00 C ATOM 320 CE LYS A 22 15.907 11.895 1.501 1.00 0.00 C ATOM 321 NZ LYS A 22 16.911 11.503 2.528 1.00 0.00 N ATOM 0 H LYS A 22 11.583 14.541 0.603 1.00 0.00 H new ATOM 0 HA LYS A 22 12.417 12.804 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.609 13.340 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.414 12.386 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.059 10.377 0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.273 11.335 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.247 10.848 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.168 9.886 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.391 11.971 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.509 12.882 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.675 12.208 2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.453 11.455 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.307 10.572 2.288 1.00 0.00 H new ATOM 335 N HIS A 23 9.836 11.692 0.262 1.00 0.00 N ATOM 336 CA HIS A 23 8.772 10.679 0.259 1.00 0.00 C ATOM 337 C HIS A 23 7.896 10.734 -1.006 1.00 0.00 C ATOM 338 O HIS A 23 7.447 9.689 -1.481 1.00 0.00 O ATOM 339 CB HIS A 23 7.954 10.770 1.555 1.00 0.00 C ATOM 340 CG HIS A 23 7.269 12.092 1.806 1.00 0.00 C ATOM 341 ND1 HIS A 23 7.672 13.060 2.700 1.00 0.00 N ATOM 342 CD2 HIS A 23 6.082 12.513 1.266 1.00 0.00 C ATOM 343 CE1 HIS A 23 6.754 14.041 2.700 1.00 0.00 C ATOM 344 NE2 HIS A 23 5.762 13.752 1.839 1.00 0.00 N ATOM 0 H HIS A 23 9.723 12.407 0.981 1.00 0.00 H new ATOM 0 HA HIS A 23 9.244 9.697 0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.197 9.986 1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.615 10.559 2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.496 11.984 0.529 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.805 14.934 3.305 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.939 14.322 1.642 1.00 0.00 H new ATOM 352 N SER A 24 7.717 11.915 -1.611 1.00 0.00 N ATOM 353 CA SER A 24 7.025 12.070 -2.902 1.00 0.00 C ATOM 354 C SER A 24 7.807 11.412 -4.043 1.00 0.00 C ATOM 355 O SER A 24 7.219 10.686 -4.848 1.00 0.00 O ATOM 356 CB SER A 24 6.782 13.549 -3.224 1.00 0.00 C ATOM 357 OG SER A 24 6.028 14.162 -2.190 1.00 0.00 O ATOM 0 H SER A 24 8.049 12.796 -1.219 1.00 0.00 H new ATOM 0 HA SER A 24 6.063 11.567 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.736 14.064 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.252 13.639 -4.172 1.00 0.00 H new ATOM 0 HG SER A 24 5.882 15.106 -2.408 1.00 0.00 H new ATOM 363 N LEU A 25 9.137 11.580 -4.077 1.00 0.00 N ATOM 364 CA LEU A 25 9.996 10.865 -5.025 1.00 0.00 C ATOM 365 C LEU A 25 10.019 9.352 -4.746 1.00 0.00 C ATOM 366 O LEU A 25 9.843 8.570 -5.676 1.00 0.00 O ATOM 367 CB LEU A 25 11.410 11.478 -5.032 1.00 0.00 C ATOM 368 CG LEU A 25 12.396 10.723 -5.950 1.00 0.00 C ATOM 369 CD1 LEU A 25 11.965 10.714 -7.418 1.00 0.00 C ATOM 370 CD2 LEU A 25 13.783 11.351 -5.886 1.00 0.00 C ATOM 0 H LEU A 25 9.641 12.210 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 25 9.576 10.983 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.347 12.517 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.802 11.483 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 25 12.407 9.698 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.700 10.168 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.993 10.229 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.894 11.739 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.461 10.803 -6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.727 12.390 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.154 11.309 -4.862 1.00 0.00 H new ATOM 382 N GLN A 26 10.171 8.915 -3.494 1.00 0.00 N ATOM 383 CA GLN A 26 10.177 7.486 -3.137 1.00 0.00 C ATOM 384 C GLN A 26 8.883 6.769 -3.561 1.00 0.00 C ATOM 385 O GLN A 26 8.936 5.654 -4.083 1.00 0.00 O ATOM 386 CB GLN A 26 10.390 7.323 -1.622 1.00 0.00 C ATOM 387 CG GLN A 26 11.835 7.595 -1.168 1.00 0.00 C ATOM 388 CD GLN A 26 12.815 6.524 -1.643 1.00 0.00 C ATOM 389 OE1 GLN A 26 13.562 6.703 -2.596 1.00 0.00 O ATOM 390 NE2 GLN A 26 12.851 5.368 -1.011 1.00 0.00 N ATOM 0 H GLN A 26 10.294 9.538 -2.696 1.00 0.00 H new ATOM 0 HA GLN A 26 11.000 7.022 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.719 8.001 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.112 6.310 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.153 8.566 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.865 7.652 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.235 5.203 -0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.495 4.639 -1.318 1.00 0.00 H new ATOM 399 N ALA A 27 7.727 7.419 -3.399 1.00 0.00 N ATOM 400 CA ALA A 27 6.440 6.878 -3.836 1.00 0.00 C ATOM 401 C ALA A 27 6.252 6.910 -5.365 1.00 0.00 C ATOM 402 O ALA A 27 5.587 6.028 -5.913 1.00 0.00 O ATOM 403 CB ALA A 27 5.332 7.642 -3.117 1.00 0.00 C ATOM 0 H ALA A 27 7.659 8.337 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 27 6.402 5.821 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.362 7.255 -3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.444 7.517 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.398 8.701 -3.369 1.00 0.00 H new ATOM 409 N HIS A 28 6.866 7.873 -6.062 1.00 0.00 N ATOM 410 CA HIS A 28 6.930 7.898 -7.525 1.00 0.00 C ATOM 411 C HIS A 28 7.825 6.776 -8.082 1.00 0.00 C ATOM 412 O HIS A 28 7.430 6.082 -9.019 1.00 0.00 O ATOM 413 CB HIS A 28 7.413 9.281 -7.997 1.00 0.00 C ATOM 414 CG HIS A 28 7.747 9.290 -9.464 1.00 0.00 C ATOM 415 ND1 HIS A 28 6.843 9.226 -10.496 1.00 0.00 N ATOM 416 CD2 HIS A 28 8.998 9.191 -10.011 1.00 0.00 C ATOM 417 CE1 HIS A 28 7.523 9.083 -11.641 1.00 0.00 C ATOM 418 NE2 HIS A 28 8.858 9.053 -11.407 1.00 0.00 N ATOM 0 H HIS A 28 7.336 8.663 -5.621 1.00 0.00 H new ATOM 0 HA HIS A 28 5.928 7.718 -7.914 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.640 10.023 -7.796 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.292 9.573 -7.423 1.00 0.00 H new ATOM 0 HD1 HIS A 28 5.828 9.278 -10.406 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.931 9.215 -9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.069 9.003 -12.618 1.00 0.00 H new ATOM 426 N LEU A 29 9.010 6.555 -7.494 1.00 0.00 N ATOM 427 CA LEU A 29 10.002 5.580 -7.967 1.00 0.00 C ATOM 428 C LEU A 29 9.471 4.138 -8.021 1.00 0.00 C ATOM 429 O LEU A 29 10.002 3.340 -8.794 1.00 0.00 O ATOM 430 CB LEU A 29 11.283 5.660 -7.110 1.00 0.00 C ATOM 431 CG LEU A 29 12.166 6.898 -7.367 1.00 0.00 C ATOM 432 CD1 LEU A 29 13.284 6.956 -6.327 1.00 0.00 C ATOM 433 CD2 LEU A 29 12.819 6.881 -8.751 1.00 0.00 C ATOM 0 H LEU A 29 9.311 7.059 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 29 10.235 5.852 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.999 5.648 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.878 4.765 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 29 11.510 7.766 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.907 7.832 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.850 7.022 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.894 6.056 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.428 7.776 -8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.449 5.997 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.045 6.858 -9.518 1.00 0.00 H new ATOM 445 N ARG A 30 8.384 3.815 -7.302 1.00 0.00 N ATOM 446 CA ARG A 30 7.653 2.536 -7.406 1.00 0.00 C ATOM 447 C ARG A 30 7.352 2.102 -8.848 1.00 0.00 C ATOM 448 O ARG A 30 7.433 0.908 -9.140 1.00 0.00 O ATOM 449 CB ARG A 30 6.332 2.664 -6.628 1.00 0.00 C ATOM 450 CG ARG A 30 6.533 2.617 -5.103 1.00 0.00 C ATOM 451 CD ARG A 30 5.304 3.071 -4.298 1.00 0.00 C ATOM 452 NE ARG A 30 4.035 2.482 -4.771 1.00 0.00 N ATOM 453 CZ ARG A 30 3.119 3.063 -5.528 1.00 0.00 C ATOM 454 NH1 ARG A 30 3.268 4.259 -6.029 1.00 0.00 N ATOM 455 NH2 ARG A 30 2.013 2.437 -5.810 1.00 0.00 N ATOM 0 H ARG A 30 7.977 4.449 -6.615 1.00 0.00 H new ATOM 0 HA ARG A 30 8.300 1.765 -6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.846 3.602 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.660 1.859 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.790 1.599 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.382 3.248 -4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.449 2.807 -3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.230 4.157 -4.346 1.00 0.00 H new ATOM 0 HE ARG A 30 3.844 1.522 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.120 4.788 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.532 4.665 -6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.852 1.497 -5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.307 2.886 -6.394 1.00 0.00 H new ATOM 469 N ILE A 31 7.065 3.033 -9.765 1.00 0.00 N ATOM 470 CA ILE A 31 6.730 2.704 -11.166 1.00 0.00 C ATOM 471 C ILE A 31 7.936 2.223 -11.993 1.00 0.00 C ATOM 472 O ILE A 31 7.763 1.504 -12.977 1.00 0.00 O ATOM 473 CB ILE A 31 5.986 3.858 -11.866 1.00 0.00 C ATOM 474 CG1 ILE A 31 6.902 5.020 -12.307 1.00 0.00 C ATOM 475 CG2 ILE A 31 4.789 4.328 -11.016 1.00 0.00 C ATOM 476 CD1 ILE A 31 6.157 6.112 -13.082 1.00 0.00 C ATOM 0 H ILE A 31 7.057 4.033 -9.564 1.00 0.00 H new ATOM 0 HA ILE A 31 6.050 1.854 -11.110 1.00 0.00 H new ATOM 0 HB ILE A 31 5.597 3.457 -12.802 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.368 5.462 -11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.706 4.625 -12.929 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.277 5.143 -11.528 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.097 3.498 -10.872 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.145 4.675 -10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.856 6.900 -13.363 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.713 5.682 -13.980 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.371 6.532 -12.454 1.00 0.00 H new ATOM 570 N PRO A 37 10.371 -10.265 -7.976 1.00 0.00 N ATOM 571 CA PRO A 37 10.255 -11.309 -9.000 1.00 0.00 C ATOM 572 C PRO A 37 8.836 -11.837 -9.240 1.00 0.00 C ATOM 573 O PRO A 37 8.469 -12.115 -10.385 1.00 0.00 O ATOM 574 CB PRO A 37 11.171 -12.441 -8.520 1.00 0.00 C ATOM 575 CG PRO A 37 11.213 -12.267 -7.002 1.00 0.00 C ATOM 576 CD PRO A 37 11.173 -10.748 -6.861 1.00 0.00 C ATOM 0 HA PRO A 37 10.537 -10.890 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.777 -13.418 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.166 -12.362 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.365 -12.746 -6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.116 -12.695 -6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.733 -10.456 -5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.178 -10.326 -6.891 1.00 0.00 H new ATOM 584 N TYR A 38 8.037 -12.002 -8.185 1.00 0.00 N ATOM 585 CA TYR A 38 6.752 -12.707 -8.252 1.00 0.00 C ATOM 586 C TYR A 38 5.600 -11.731 -8.518 1.00 0.00 C ATOM 587 O TYR A 38 4.981 -11.197 -7.594 1.00 0.00 O ATOM 588 CB TYR A 38 6.567 -13.561 -6.989 1.00 0.00 C ATOM 589 CG TYR A 38 7.749 -14.451 -6.641 1.00 0.00 C ATOM 590 CD1 TYR A 38 8.316 -15.308 -7.606 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.284 -14.413 -5.339 1.00 0.00 C ATOM 592 CE1 TYR A 38 9.434 -16.101 -7.276 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.389 -15.219 -5.001 1.00 0.00 C ATOM 594 CZ TYR A 38 9.979 -16.051 -5.976 1.00 0.00 C ATOM 595 OH TYR A 38 11.048 -16.835 -5.663 1.00 0.00 O ATOM 0 H TYR A 38 8.262 -11.649 -7.255 1.00 0.00 H new ATOM 0 HA TYR A 38 6.747 -13.392 -9.100 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.368 -12.899 -6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.684 -14.187 -7.117 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.894 -15.357 -8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.845 -13.763 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.874 -16.748 -8.020 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.784 -15.200 -3.996 1.00 0.00 H new ATOM 0 HH TYR A 38 11.304 -16.682 -4.729 1.00 0.00 H new ATOM 605 N LYS A 39 5.332 -11.473 -9.802 1.00 0.00 N ATOM 606 CA LYS A 39 4.302 -10.533 -10.273 1.00 0.00 C ATOM 607 C LYS A 39 2.960 -11.225 -10.530 1.00 0.00 C ATOM 608 O LYS A 39 2.912 -12.358 -11.018 1.00 0.00 O ATOM 609 CB LYS A 39 4.821 -9.745 -11.487 1.00 0.00 C ATOM 610 CG LYS A 39 5.916 -8.774 -11.026 1.00 0.00 C ATOM 611 CD LYS A 39 6.494 -7.900 -12.141 1.00 0.00 C ATOM 612 CE LYS A 39 7.553 -6.988 -11.504 1.00 0.00 C ATOM 613 NZ LYS A 39 8.122 -6.011 -12.464 1.00 0.00 N ATOM 0 H LYS A 39 5.837 -11.923 -10.565 1.00 0.00 H new ATOM 0 HA LYS A 39 4.101 -9.813 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.217 -10.429 -12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.004 -9.196 -11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.508 -8.128 -10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.725 -9.346 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.938 -8.517 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.709 -7.307 -12.611 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.107 -6.451 -10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.357 -7.601 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.830 -5.422 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.573 -6.520 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.362 -5.405 -12.834 1.00 0.00 H new ATOM 627 N CYS A 40 1.876 -10.527 -10.198 1.00 0.00 N ATOM 628 CA CYS A 40 0.502 -11.005 -10.321 1.00 0.00 C ATOM 629 C CYS A 40 0.089 -11.182 -11.802 1.00 0.00 C ATOM 630 O CYS A 40 0.382 -10.314 -12.633 1.00 0.00 O ATOM 631 CB CYS A 40 -0.383 -10.015 -9.557 1.00 0.00 C ATOM 632 SG CYS A 40 -2.147 -10.448 -9.615 1.00 0.00 S ATOM 0 H CYS A 40 1.933 -9.580 -9.823 1.00 0.00 H new ATOM 0 HA CYS A 40 0.390 -11.999 -9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.059 -9.974 -8.517 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.246 -9.017 -9.973 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.629 -10.467 -8.408 1.00 0.00 H new ATOM 637 N PRO A 41 -0.604 -12.283 -12.160 1.00 0.00 N ATOM 638 CA PRO A 41 -1.168 -12.478 -13.494 1.00 0.00 C ATOM 639 C PRO A 41 -2.402 -11.595 -13.764 1.00 0.00 C ATOM 640 O PRO A 41 -2.853 -11.530 -14.909 1.00 0.00 O ATOM 641 CB PRO A 41 -1.501 -13.972 -13.562 1.00 0.00 C ATOM 642 CG PRO A 41 -1.829 -14.331 -12.114 1.00 0.00 C ATOM 643 CD PRO A 41 -0.887 -13.434 -11.315 1.00 0.00 C ATOM 0 HA PRO A 41 -0.462 -12.178 -14.268 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.345 -14.165 -14.224 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.660 -14.554 -13.939 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.874 -14.132 -11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.651 -15.387 -11.910 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.348 -13.124 -10.377 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.031 -13.964 -11.059 1.00 0.00 H new ATOM 651 N GLN A 42 -2.957 -10.924 -12.742 1.00 0.00 N ATOM 652 CA GLN A 42 -4.192 -10.133 -12.842 1.00 0.00 C ATOM 653 C GLN A 42 -4.003 -8.616 -12.633 1.00 0.00 C ATOM 654 O GLN A 42 -4.795 -7.852 -13.195 1.00 0.00 O ATOM 655 CB GLN A 42 -5.240 -10.688 -11.859 1.00 0.00 C ATOM 656 CG GLN A 42 -5.649 -12.151 -12.105 1.00 0.00 C ATOM 657 CD GLN A 42 -6.392 -12.401 -13.422 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.864 -11.504 -14.110 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.545 -13.647 -13.820 1.00 0.00 N ATOM 0 H GLN A 42 -2.552 -10.917 -11.806 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.537 -10.237 -13.871 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.848 -10.601 -10.846 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.132 -10.063 -11.910 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.753 -12.771 -12.087 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.281 -12.480 -11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.161 -14.411 -13.264 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.048 -13.848 -14.684 1.00 0.00 H new ATOM 668 N CYS A 43 -2.999 -8.154 -11.869 1.00 0.00 N ATOM 669 CA CYS A 43 -2.772 -6.723 -11.617 1.00 0.00 C ATOM 670 C CYS A 43 -1.276 -6.341 -11.505 1.00 0.00 C ATOM 671 O CYS A 43 -0.379 -7.155 -11.740 1.00 0.00 O ATOM 672 CB CYS A 43 -3.600 -6.314 -10.387 1.00 0.00 C ATOM 673 SG CYS A 43 -2.939 -7.047 -8.874 1.00 0.00 S ATOM 0 H CYS A 43 -2.322 -8.763 -11.409 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.110 -6.154 -12.483 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.605 -5.228 -10.295 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.635 -6.627 -10.523 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.635 -8.292 -9.092 1.00 0.00 H new ATOM 678 N SER A 44 -1.006 -5.077 -11.164 1.00 0.00 N ATOM 679 CA SER A 44 0.343 -4.502 -11.016 1.00 0.00 C ATOM 680 C SER A 44 1.100 -4.968 -9.756 1.00 0.00 C ATOM 681 O SER A 44 2.240 -4.551 -9.534 1.00 0.00 O ATOM 682 CB SER A 44 0.259 -2.967 -11.025 1.00 0.00 C ATOM 683 OG SER A 44 -0.459 -2.489 -12.156 1.00 0.00 O ATOM 0 H SER A 44 -1.744 -4.399 -10.976 1.00 0.00 H new ATOM 0 HA SER A 44 0.917 -4.869 -11.867 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.228 -2.623 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.265 -2.547 -11.028 1.00 0.00 H new ATOM 0 HG SER A 44 -0.495 -1.510 -12.130 1.00 0.00 H new ATOM 689 N TYR A 45 0.489 -5.812 -8.917 1.00 0.00 N ATOM 690 CA TYR A 45 1.083 -6.369 -7.702 1.00 0.00 C ATOM 691 C TYR A 45 2.361 -7.180 -7.974 1.00 0.00 C ATOM 692 O TYR A 45 2.445 -7.943 -8.942 1.00 0.00 O ATOM 693 CB TYR A 45 0.033 -7.242 -7.001 1.00 0.00 C ATOM 694 CG TYR A 45 0.529 -7.945 -5.746 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.170 -9.200 -5.828 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.376 -7.322 -4.491 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.652 -9.829 -4.663 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.843 -7.955 -3.323 1.00 0.00 C ATOM 699 CZ TYR A 45 1.483 -9.211 -3.406 1.00 0.00 C ATOM 700 OH TYR A 45 1.937 -9.825 -2.280 1.00 0.00 O ATOM 0 H TYR A 45 -0.466 -6.136 -9.073 1.00 0.00 H new ATOM 0 HA TYR A 45 1.384 -5.539 -7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.822 -6.619 -6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.324 -7.993 -7.705 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.291 -9.680 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.101 -6.355 -4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.151 -10.784 -4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.711 -7.479 -2.362 1.00 0.00 H new ATOM 0 HH TYR A 45 1.742 -9.264 -1.500 1.00 0.00 H new ATOM 710 N ALA A 46 3.333 -7.051 -7.069 1.00 0.00 N ATOM 711 CA ALA A 46 4.551 -7.860 -7.028 1.00 0.00 C ATOM 712 C ALA A 46 4.977 -8.203 -5.588 1.00 0.00 C ATOM 713 O ALA A 46 4.798 -7.392 -4.675 1.00 0.00 O ATOM 714 CB ALA A 46 5.664 -7.109 -7.766 1.00 0.00 C ATOM 0 H ALA A 46 3.292 -6.359 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 46 4.353 -8.812 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.579 -7.701 -7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.366 -6.941 -8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.840 -6.150 -7.279 1.00 0.00 H new ATOM 720 N SER A 47 5.609 -9.364 -5.393 1.00 0.00 N ATOM 721 CA SER A 47 6.221 -9.780 -4.121 1.00 0.00 C ATOM 722 C SER A 47 7.614 -10.407 -4.298 1.00 0.00 C ATOM 723 O SER A 47 7.984 -10.882 -5.374 1.00 0.00 O ATOM 724 CB SER A 47 5.292 -10.733 -3.355 1.00 0.00 C ATOM 725 OG SER A 47 5.242 -12.001 -3.979 1.00 0.00 O ATOM 0 H SER A 47 5.714 -10.060 -6.131 1.00 0.00 H new ATOM 0 HA SER A 47 6.361 -8.871 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.643 -10.842 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.289 -10.308 -3.306 1.00 0.00 H new ATOM 0 HG SER A 47 5.405 -12.700 -3.312 1.00 0.00 H new ATOM 731 N ALA A 48 8.394 -10.408 -3.211 1.00 0.00 N ATOM 732 CA ALA A 48 9.670 -11.125 -3.100 1.00 0.00 C ATOM 733 C ALA A 48 9.519 -12.528 -2.458 1.00 0.00 C ATOM 734 O ALA A 48 10.506 -13.250 -2.298 1.00 0.00 O ATOM 735 CB ALA A 48 10.647 -10.230 -2.330 1.00 0.00 C ATOM 0 H ALA A 48 8.149 -9.897 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 48 10.061 -11.324 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.606 -10.738 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.786 -9.294 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.245 -10.020 -1.339 1.00 0.00 H new ATOM 741 N ILE A 49 8.291 -12.908 -2.076 1.00 0.00 N ATOM 742 CA ILE A 49 7.927 -14.157 -1.386 1.00 0.00 C ATOM 743 C ILE A 49 6.738 -14.808 -2.108 1.00 0.00 C ATOM 744 O ILE A 49 5.679 -14.190 -2.245 1.00 0.00 O ATOM 745 CB ILE A 49 7.605 -13.860 0.102 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.845 -13.265 0.812 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.098 -15.124 0.824 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.663 -12.985 2.309 1.00 0.00 C ATOM 0 H ILE A 49 7.477 -12.318 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 49 8.762 -14.857 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 49 6.804 -13.121 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.682 -13.952 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.118 -12.335 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.880 -14.886 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.191 -15.482 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.863 -15.899 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.585 -12.570 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.851 -12.272 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.423 -13.914 2.826 1.00 0.00 H new ATOM 760 N LYS A 50 6.888 -16.068 -2.533 1.00 0.00 N ATOM 761 CA LYS A 50 5.872 -16.804 -3.317 1.00 0.00 C ATOM 762 C LYS A 50 4.554 -16.994 -2.555 1.00 0.00 C ATOM 763 O LYS A 50 3.477 -16.871 -3.138 1.00 0.00 O ATOM 764 CB LYS A 50 6.432 -18.170 -3.755 1.00 0.00 C ATOM 765 CG LYS A 50 7.599 -18.052 -4.744 1.00 0.00 C ATOM 766 CD LYS A 50 8.086 -19.401 -5.294 1.00 0.00 C ATOM 767 CE LYS A 50 7.058 -20.058 -6.225 1.00 0.00 C ATOM 768 NZ LYS A 50 7.576 -21.327 -6.800 1.00 0.00 N ATOM 0 H LYS A 50 7.726 -16.617 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 50 5.646 -16.197 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.764 -18.719 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.633 -18.754 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.294 -17.420 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.431 -17.550 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.021 -19.254 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.301 -20.073 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.140 -20.256 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.803 -19.370 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.856 -21.745 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.439 -21.133 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.796 -21.992 -6.031 1.00 0.00 H new ATOM 782 N ALA A 51 4.633 -17.221 -1.241 1.00 0.00 N ATOM 783 CA ALA A 51 3.467 -17.341 -0.362 1.00 0.00 C ATOM 784 C ALA A 51 2.631 -16.044 -0.293 1.00 0.00 C ATOM 785 O ALA A 51 1.405 -16.110 -0.189 1.00 0.00 O ATOM 786 CB ALA A 51 3.953 -17.770 1.028 1.00 0.00 C ATOM 0 H ALA A 51 5.521 -17.328 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 51 2.796 -18.095 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.099 -17.865 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.465 -18.729 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.641 -17.021 1.420 1.00 0.00 H new ATOM 792 N ASN A 52 3.258 -14.869 -0.421 1.00 0.00 N ATOM 793 CA ASN A 52 2.545 -13.588 -0.406 1.00 0.00 C ATOM 794 C ASN A 52 1.740 -13.387 -1.701 1.00 0.00 C ATOM 795 O ASN A 52 0.582 -12.972 -1.634 1.00 0.00 O ATOM 796 CB ASN A 52 3.535 -12.438 -0.138 1.00 0.00 C ATOM 797 CG ASN A 52 4.131 -12.424 1.264 1.00 0.00 C ATOM 798 OD1 ASN A 52 3.916 -13.296 2.096 1.00 0.00 O ATOM 799 ND2 ASN A 52 4.910 -11.414 1.579 1.00 0.00 N ATOM 0 H ASN A 52 4.267 -14.780 -0.537 1.00 0.00 H new ATOM 0 HA ASN A 52 1.819 -13.592 0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.347 -12.500 -0.863 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.025 -11.490 -0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.328 -11.363 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.097 -10.681 0.895 1.00 0.00 H new ATOM 806 N LEU A 53 2.284 -13.779 -2.864 1.00 0.00 N ATOM 807 CA LEU A 53 1.533 -13.816 -4.125 1.00 0.00 C ATOM 808 C LEU A 53 0.393 -14.849 -4.076 1.00 0.00 C ATOM 809 O LEU A 53 -0.721 -14.556 -4.510 1.00 0.00 O ATOM 810 CB LEU A 53 2.503 -14.072 -5.294 1.00 0.00 C ATOM 811 CG LEU A 53 1.808 -14.218 -6.663 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.012 -12.972 -7.057 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.845 -14.472 -7.752 1.00 0.00 C ATOM 0 H LEU A 53 3.255 -14.078 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 53 1.056 -12.849 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.218 -13.251 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.073 -14.978 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 53 1.118 -15.057 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.544 -13.131 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.241 -12.781 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.683 -12.115 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.344 -14.574 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.543 -13.635 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.391 -15.389 -7.528 1.00 0.00 H new ATOM 825 N ASN A 54 0.638 -16.032 -3.501 1.00 0.00 N ATOM 826 CA ASN A 54 -0.385 -17.067 -3.324 1.00 0.00 C ATOM 827 C ASN A 54 -1.599 -16.544 -2.530 1.00 0.00 C ATOM 828 O ASN A 54 -2.739 -16.737 -2.956 1.00 0.00 O ATOM 829 CB ASN A 54 0.275 -18.301 -2.682 1.00 0.00 C ATOM 830 CG ASN A 54 -0.703 -19.446 -2.475 1.00 0.00 C ATOM 831 OD1 ASN A 54 -1.163 -20.080 -3.415 1.00 0.00 O ATOM 832 ND2 ASN A 54 -1.079 -19.728 -1.249 1.00 0.00 N ATOM 0 H ASN A 54 1.556 -16.299 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.790 -17.358 -4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.096 -18.639 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.707 -18.019 -1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.754 -20.475 -1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.697 -19.201 -0.464 1.00 0.00 H new ATOM 839 N VAL A 55 -1.374 -15.817 -1.430 1.00 0.00 N ATOM 840 CA VAL A 55 -2.444 -15.168 -0.643 1.00 0.00 C ATOM 841 C VAL A 55 -3.068 -13.984 -1.393 1.00 0.00 C ATOM 842 O VAL A 55 -4.287 -13.834 -1.375 1.00 0.00 O ATOM 843 CB VAL A 55 -1.916 -14.740 0.737 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.933 -13.938 1.561 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.521 -15.963 1.574 1.00 0.00 C ATOM 0 H VAL A 55 -0.440 -15.658 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.237 -15.901 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.056 -14.104 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.493 -13.670 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.205 -13.031 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.825 -14.543 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.151 -15.635 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.391 -16.604 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.740 -16.521 1.057 1.00 0.00 H new ATOM 855 N HIS A 56 -2.282 -13.170 -2.104 1.00 0.00 N ATOM 856 CA HIS A 56 -2.793 -12.042 -2.898 1.00 0.00 C ATOM 857 C HIS A 56 -3.817 -12.470 -3.965 1.00 0.00 C ATOM 858 O HIS A 56 -4.814 -11.778 -4.176 1.00 0.00 O ATOM 859 CB HIS A 56 -1.609 -11.298 -3.536 1.00 0.00 C ATOM 860 CG HIS A 56 -2.045 -10.276 -4.551 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.581 -9.041 -4.283 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.116 -10.466 -5.904 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.973 -8.491 -5.440 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.720 -9.329 -6.476 1.00 0.00 N ATOM 0 H HIS A 56 -1.268 -13.273 -2.147 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.330 -11.376 -2.223 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.031 -10.804 -2.754 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.947 -12.020 -4.014 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.666 -8.615 -3.360 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.769 -11.337 -6.441 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.427 -7.516 -5.535 1.00 0.00 H new ATOM 872 N LEU A 57 -3.633 -13.627 -4.607 1.00 0.00 N ATOM 873 CA LEU A 57 -4.574 -14.149 -5.610 1.00 0.00 C ATOM 874 C LEU A 57 -5.985 -14.398 -5.049 1.00 0.00 C ATOM 875 O LEU A 57 -6.964 -14.229 -5.774 1.00 0.00 O ATOM 876 CB LEU A 57 -3.993 -15.436 -6.198 1.00 0.00 C ATOM 877 CG LEU A 57 -2.786 -15.196 -7.119 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.994 -16.493 -7.228 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.213 -14.758 -8.518 1.00 0.00 C ATOM 0 H LEU A 57 -2.827 -14.231 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.694 -13.391 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.694 -16.096 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.771 -15.954 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.182 -14.397 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.133 -16.340 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.652 -16.795 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.630 -17.274 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.329 -14.600 -9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.835 -15.532 -8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.780 -13.830 -8.451 1.00 0.00 H new ATOM 891 N ARG A 58 -6.113 -14.710 -3.750 1.00 0.00 N ATOM 892 CA ARG A 58 -7.422 -14.813 -3.060 1.00 0.00 C ATOM 893 C ARG A 58 -8.207 -13.489 -3.036 1.00 0.00 C ATOM 894 O ARG A 58 -9.431 -13.527 -2.904 1.00 0.00 O ATOM 895 CB ARG A 58 -7.271 -15.357 -1.623 1.00 0.00 C ATOM 896 CG ARG A 58 -7.018 -16.867 -1.499 1.00 0.00 C ATOM 897 CD ARG A 58 -5.633 -17.353 -1.938 1.00 0.00 C ATOM 898 NE ARG A 58 -5.524 -18.816 -1.756 1.00 0.00 N ATOM 899 CZ ARG A 58 -4.754 -19.650 -2.433 1.00 0.00 C ATOM 900 NH1 ARG A 58 -3.905 -19.233 -3.322 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.812 -20.933 -2.218 1.00 0.00 N ATOM 0 H ARG A 58 -5.316 -14.899 -3.142 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.000 -15.523 -3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.448 -14.830 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.176 -15.113 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.170 -17.157 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.769 -17.391 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.464 -17.096 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.861 -16.848 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.108 -19.227 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.818 -18.235 -3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.325 -19.903 -3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.457 -21.305 -1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.213 -21.566 -2.747 1.00 0.00 H new ATOM 915 N LYS A 59 -7.549 -12.331 -3.202 1.00 0.00 N ATOM 916 CA LYS A 59 -8.197 -11.002 -3.288 1.00 0.00 C ATOM 917 C LYS A 59 -8.841 -10.732 -4.656 1.00 0.00 C ATOM 918 O LYS A 59 -9.745 -9.898 -4.753 1.00 0.00 O ATOM 919 CB LYS A 59 -7.200 -9.887 -2.913 1.00 0.00 C ATOM 920 CG LYS A 59 -6.566 -10.098 -1.529 1.00 0.00 C ATOM 921 CD LYS A 59 -5.709 -8.898 -1.107 1.00 0.00 C ATOM 922 CE LYS A 59 -5.122 -9.143 0.289 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.344 -7.973 0.775 1.00 0.00 N ATOM 0 H LYS A 59 -6.533 -12.285 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.013 -11.004 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.413 -9.841 -3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.713 -8.926 -2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.351 -10.262 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.950 -10.997 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.906 -8.742 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.314 -7.991 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.929 -9.359 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.478 -10.022 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.964 -8.178 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.559 -7.782 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.964 -7.140 0.824 1.00 0.00 H new ATOM 937 N HIS A 60 -8.436 -11.469 -5.692 1.00 0.00 N ATOM 938 CA HIS A 60 -9.085 -11.494 -7.009 1.00 0.00 C ATOM 939 C HIS A 60 -10.298 -12.445 -7.003 1.00 0.00 C ATOM 940 O HIS A 60 -10.258 -13.570 -7.503 1.00 0.00 O ATOM 941 CB HIS A 60 -8.053 -11.832 -8.098 1.00 0.00 C ATOM 942 CG HIS A 60 -7.013 -10.753 -8.285 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.248 -9.494 -8.784 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.679 -10.829 -7.988 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.096 -8.814 -8.783 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.087 -9.588 -8.317 1.00 0.00 N ATOM 0 H HIS A 60 -7.624 -12.084 -5.639 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.479 -10.504 -7.242 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.555 -12.767 -7.841 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.571 -11.996 -9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.168 -11.686 -7.575 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.986 -7.790 -9.109 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.105 -9.329 -8.223 1.00 0.00 H new ATOM 1012 N PHE A 65 -16.003 -4.668 -9.319 1.00 0.00 N ATOM 1013 CA PHE A 65 -16.576 -3.477 -9.949 1.00 0.00 C ATOM 1014 C PHE A 65 -16.693 -2.340 -8.918 1.00 0.00 C ATOM 1015 O PHE A 65 -16.818 -2.607 -7.720 1.00 0.00 O ATOM 1016 CB PHE A 65 -17.940 -3.844 -10.556 1.00 0.00 C ATOM 1017 CG PHE A 65 -17.921 -5.061 -11.462 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -17.507 -4.943 -12.802 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -18.277 -6.325 -10.952 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -17.448 -6.083 -13.626 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -18.225 -7.463 -11.777 1.00 0.00 C ATOM 1022 CZ PHE A 65 -17.810 -7.342 -13.115 1.00 0.00 C ATOM 0 HA PHE A 65 -15.927 -3.121 -10.749 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -18.648 -4.021 -9.746 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -18.312 -2.991 -11.123 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -17.234 -3.976 -13.199 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -18.591 -6.421 -9.923 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -17.124 -5.990 -14.652 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -18.504 -8.429 -11.383 1.00 0.00 H new ATOM 0 HZ PHE A 65 -17.769 -8.215 -13.749 1.00 0.00 H new ATOM 1032 N ALA A 66 -16.658 -1.080 -9.363 1.00 0.00 N ATOM 1033 CA ALA A 66 -16.646 0.099 -8.490 1.00 0.00 C ATOM 1034 C ALA A 66 -17.624 1.198 -8.951 1.00 0.00 C ATOM 1035 O ALA A 66 -17.802 1.427 -10.151 1.00 0.00 O ATOM 1036 CB ALA A 66 -15.211 0.631 -8.400 1.00 0.00 C ATOM 0 H ALA A 66 -16.637 -0.846 -10.356 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.993 -0.204 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.188 1.508 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.562 -0.141 -7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.861 0.905 -9.395 1.00 0.00 H new ATOM 1042 N CYS A 67 -18.232 1.890 -7.983 1.00 0.00 N ATOM 1043 CA CYS A 67 -19.176 2.984 -8.191 1.00 0.00 C ATOM 1044 C CYS A 67 -18.507 4.210 -8.849 1.00 0.00 C ATOM 1045 O CYS A 67 -17.336 4.520 -8.609 1.00 0.00 O ATOM 1046 CB CYS A 67 -19.812 3.290 -6.830 1.00 0.00 C ATOM 1047 SG CYS A 67 -21.169 4.496 -6.963 1.00 0.00 S ATOM 0 H CYS A 67 -18.071 1.693 -6.995 1.00 0.00 H new ATOM 0 HA CYS A 67 -19.955 2.698 -8.898 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -20.190 2.367 -6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -19.050 3.676 -6.153 1.00 0.00 H new ATOM 0 HG CYS A 67 -22.123 4.168 -6.143 1.00 0.00 H new ATOM 1052 N ASP A 68 -19.271 4.913 -9.686 1.00 0.00 N ATOM 1053 CA ASP A 68 -18.861 6.163 -10.345 1.00 0.00 C ATOM 1054 C ASP A 68 -19.233 7.417 -9.525 1.00 0.00 C ATOM 1055 O ASP A 68 -18.816 8.530 -9.860 1.00 0.00 O ATOM 1056 CB ASP A 68 -19.465 6.190 -11.759 1.00 0.00 C ATOM 1057 CG ASP A 68 -18.866 7.300 -12.643 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -17.631 7.295 -12.871 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -19.630 8.151 -13.159 1.00 0.00 O ATOM 0 H ASP A 68 -20.218 4.625 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 68 -17.774 6.186 -10.416 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.303 5.224 -12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.543 6.332 -11.686 1.00 0.00 H new ATOM 1064 N TYR A 69 -20.003 7.244 -8.443 1.00 0.00 N ATOM 1065 CA TYR A 69 -20.614 8.323 -7.655 1.00 0.00 C ATOM 1066 C TYR A 69 -20.152 8.349 -6.181 1.00 0.00 C ATOM 1067 O TYR A 69 -20.262 9.391 -5.527 1.00 0.00 O ATOM 1068 CB TYR A 69 -22.141 8.185 -7.740 1.00 0.00 C ATOM 1069 CG TYR A 69 -22.708 8.146 -9.147 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -23.067 9.341 -9.799 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -22.859 6.911 -9.809 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -23.566 9.302 -11.116 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -23.347 6.870 -11.129 1.00 0.00 C ATOM 1074 CZ TYR A 69 -23.699 8.068 -11.788 1.00 0.00 C ATOM 1075 OH TYR A 69 -24.171 8.035 -13.065 1.00 0.00 O ATOM 0 H TYR A 69 -20.226 6.317 -8.079 1.00 0.00 H new ATOM 0 HA TYR A 69 -20.286 9.271 -8.081 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -22.437 7.274 -7.221 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -22.596 9.019 -7.205 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -22.960 10.287 -9.290 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -22.600 5.993 -9.302 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -23.847 10.219 -11.613 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -23.452 5.923 -11.637 1.00 0.00 H new ATOM 0 HH TYR A 69 -24.199 7.107 -13.380 1.00 0.00 H new ATOM 1085 N CYS A 70 -19.628 7.230 -5.659 1.00 0.00 N ATOM 1086 CA CYS A 70 -19.017 7.103 -4.328 1.00 0.00 C ATOM 1087 C CYS A 70 -17.860 6.069 -4.314 1.00 0.00 C ATOM 1088 O CYS A 70 -17.409 5.603 -5.363 1.00 0.00 O ATOM 1089 CB CYS A 70 -20.109 6.804 -3.285 1.00 0.00 C ATOM 1090 SG CYS A 70 -20.750 5.118 -3.450 1.00 0.00 S ATOM 0 H CYS A 70 -19.618 6.351 -6.176 1.00 0.00 H new ATOM 0 HA CYS A 70 -18.552 8.052 -4.060 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -19.703 6.942 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -20.926 7.517 -3.399 1.00 0.00 H new ATOM 0 HG CYS A 70 -20.902 4.833 -4.709 1.00 0.00 H new ATOM 1095 N SER A 71 -17.365 5.720 -3.122 1.00 0.00 N ATOM 1096 CA SER A 71 -16.245 4.785 -2.904 1.00 0.00 C ATOM 1097 C SER A 71 -16.641 3.293 -2.900 1.00 0.00 C ATOM 1098 O SER A 71 -15.785 2.431 -2.675 1.00 0.00 O ATOM 1099 CB SER A 71 -15.517 5.136 -1.597 1.00 0.00 C ATOM 1100 OG SER A 71 -15.097 6.494 -1.594 1.00 0.00 O ATOM 0 H SER A 71 -17.743 6.091 -2.250 1.00 0.00 H new ATOM 0 HA SER A 71 -15.585 4.912 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.178 4.955 -0.749 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.652 4.484 -1.472 1.00 0.00 H new ATOM 0 HG SER A 71 -14.638 6.693 -0.751 1.00 0.00 H new ATOM 1106 N PHE A 72 -17.920 2.961 -3.113 1.00 0.00 N ATOM 1107 CA PHE A 72 -18.454 1.591 -3.047 1.00 0.00 C ATOM 1108 C PHE A 72 -17.856 0.632 -4.099 1.00 0.00 C ATOM 1109 O PHE A 72 -17.605 1.016 -5.246 1.00 0.00 O ATOM 1110 CB PHE A 72 -19.981 1.667 -3.176 1.00 0.00 C ATOM 1111 CG PHE A 72 -20.717 0.339 -3.204 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -20.986 -0.353 -2.009 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -21.162 -0.191 -4.431 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -21.698 -1.567 -2.042 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -21.880 -1.398 -4.463 1.00 0.00 C ATOM 1116 CZ PHE A 72 -22.148 -2.088 -3.269 1.00 0.00 C ATOM 0 H PHE A 72 -18.632 3.654 -3.342 1.00 0.00 H new ATOM 0 HA PHE A 72 -18.163 1.165 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -20.367 2.255 -2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.221 2.212 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.646 0.048 -1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -20.950 0.333 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -21.899 -2.099 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -22.226 -1.796 -5.406 1.00 0.00 H new ATOM 0 HZ PHE A 72 -22.699 -3.017 -3.293 1.00 0.00 H new ATOM 1126 N THR A 73 -17.693 -0.640 -3.719 1.00 0.00 N ATOM 1127 CA THR A 73 -17.282 -1.759 -4.588 1.00 0.00 C ATOM 1128 C THR A 73 -18.216 -2.966 -4.450 1.00 0.00 C ATOM 1129 O THR A 73 -18.822 -3.187 -3.397 1.00 0.00 O ATOM 1130 CB THR A 73 -15.839 -2.226 -4.313 1.00 0.00 C ATOM 1131 OG1 THR A 73 -15.648 -2.507 -2.939 1.00 0.00 O ATOM 1132 CG2 THR A 73 -14.789 -1.198 -4.725 1.00 0.00 C ATOM 0 H THR A 73 -17.850 -0.935 -2.755 1.00 0.00 H new ATOM 0 HA THR A 73 -17.339 -1.366 -5.603 1.00 0.00 H new ATOM 0 HB THR A 73 -15.708 -3.124 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.726 -2.803 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.794 -1.586 -4.506 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.874 -0.999 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.948 -0.273 -4.170 1.00 0.00 H new ATOM 1140 N CYS A 74 -18.322 -3.771 -5.513 1.00 0.00 N ATOM 1141 CA CYS A 74 -19.130 -4.993 -5.555 1.00 0.00 C ATOM 1142 C CYS A 74 -18.474 -6.089 -6.417 1.00 0.00 C ATOM 1143 O CYS A 74 -17.682 -5.800 -7.316 1.00 0.00 O ATOM 1144 CB CYS A 74 -20.529 -4.625 -6.075 1.00 0.00 C ATOM 1145 SG CYS A 74 -21.714 -5.954 -5.721 1.00 0.00 S ATOM 0 H CYS A 74 -17.835 -3.585 -6.390 1.00 0.00 H new ATOM 0 HA CYS A 74 -19.207 -5.411 -4.551 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -20.864 -3.698 -5.609 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -20.487 -4.444 -7.149 1.00 0.00 H new ATOM 0 HG CYS A 74 -22.924 -5.480 -5.767 1.00 0.00 H new ATOM 1151 N LEU A 75 -18.834 -7.353 -6.176 1.00 0.00 N ATOM 1152 CA LEU A 75 -18.410 -8.521 -6.969 1.00 0.00 C ATOM 1153 C LEU A 75 -19.336 -8.787 -8.182 1.00 0.00 C ATOM 1154 O LEU A 75 -19.095 -9.715 -8.955 1.00 0.00 O ATOM 1155 CB LEU A 75 -18.299 -9.749 -6.039 1.00 0.00 C ATOM 1156 CG LEU A 75 -16.984 -9.851 -5.237 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -16.732 -8.686 -4.275 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -17.005 -11.136 -4.406 1.00 0.00 C ATOM 0 H LEU A 75 -19.447 -7.604 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 75 -17.431 -8.311 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -19.133 -9.730 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.410 -10.651 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.186 -9.836 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.787 -8.842 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.687 -7.753 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.542 -8.633 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.079 -11.216 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -17.852 -11.112 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.099 -11.996 -5.069 1.00 0.00 H new ATOM 1170 N SER A 76 -20.389 -7.979 -8.363 1.00 0.00 N ATOM 1171 CA SER A 76 -21.381 -8.090 -9.441 1.00 0.00 C ATOM 1172 C SER A 76 -21.739 -6.716 -10.018 1.00 0.00 C ATOM 1173 O SER A 76 -22.137 -5.806 -9.285 1.00 0.00 O ATOM 1174 CB SER A 76 -22.635 -8.781 -8.896 1.00 0.00 C ATOM 1175 OG SER A 76 -23.727 -8.698 -9.806 1.00 0.00 O ATOM 0 H SER A 76 -20.581 -7.198 -7.736 1.00 0.00 H new ATOM 0 HA SER A 76 -20.953 -8.681 -10.250 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.412 -9.828 -8.691 1.00 0.00 H new ATOM 0 HB3 SER A 76 -22.918 -8.324 -7.948 1.00 0.00 H new ATOM 0 HG SER A 76 -24.571 -8.742 -9.309 1.00 0.00 H new ATOM 1181 N LYS A 77 -21.661 -6.577 -11.348 1.00 0.00 N ATOM 1182 CA LYS A 77 -22.085 -5.363 -12.069 1.00 0.00 C ATOM 1183 C LYS A 77 -23.605 -5.143 -12.028 1.00 0.00 C ATOM 1184 O LYS A 77 -24.057 -4.000 -12.044 1.00 0.00 O ATOM 1185 CB LYS A 77 -21.524 -5.365 -13.504 1.00 0.00 C ATOM 1186 CG LYS A 77 -22.038 -6.518 -14.390 1.00 0.00 C ATOM 1187 CD LYS A 77 -21.555 -6.419 -15.845 1.00 0.00 C ATOM 1188 CE LYS A 77 -20.031 -6.555 -15.970 1.00 0.00 C ATOM 1189 NZ LYS A 77 -19.597 -6.520 -17.391 1.00 0.00 N ATOM 0 H LYS A 77 -21.300 -7.308 -11.961 1.00 0.00 H new ATOM 0 HA LYS A 77 -21.660 -4.506 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -21.776 -4.418 -13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.436 -5.418 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.709 -7.468 -13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -23.128 -6.523 -14.374 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.036 -7.197 -16.438 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.866 -5.462 -16.263 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.546 -5.748 -15.420 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.709 -7.491 -15.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.562 -6.614 -17.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.041 -7.305 -17.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.883 -5.616 -17.819 1.00 0.00 H new ATOM 1203 N GLY A 78 -24.393 -6.216 -11.902 1.00 0.00 N ATOM 1204 CA GLY A 78 -25.849 -6.148 -11.729 1.00 0.00 C ATOM 1205 C GLY A 78 -26.242 -5.582 -10.363 1.00 0.00 C ATOM 1206 O GLY A 78 -27.074 -4.678 -10.278 1.00 0.00 O ATOM 0 H GLY A 78 -24.033 -7.170 -11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.278 -5.527 -12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.274 -7.145 -11.843 1.00 0.00 H new ATOM 1210 N HIS A 79 -25.581 -6.031 -9.292 1.00 0.00 N ATOM 1211 CA HIS A 79 -25.792 -5.485 -7.946 1.00 0.00 C ATOM 1212 C HIS A 79 -25.249 -4.049 -7.817 1.00 0.00 C ATOM 1213 O HIS A 79 -25.868 -3.217 -7.151 1.00 0.00 O ATOM 1214 CB HIS A 79 -25.174 -6.428 -6.908 1.00 0.00 C ATOM 1215 CG HIS A 79 -25.889 -7.756 -6.807 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -25.741 -8.836 -7.650 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -26.822 -8.107 -5.867 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -26.561 -9.814 -7.231 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -27.244 -9.416 -6.142 1.00 0.00 N ATOM 0 H HIS A 79 -24.888 -6.779 -9.332 1.00 0.00 H new ATOM 0 HA HIS A 79 -26.864 -5.419 -7.760 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -24.129 -6.604 -7.164 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -25.186 -5.942 -5.933 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -27.171 -7.485 -5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -26.658 -10.782 -7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -27.932 -9.959 -5.620 1.00 0.00 H new ATOM 1227 N LEU A 80 -24.159 -3.716 -8.520 1.00 0.00 N ATOM 1228 CA LEU A 80 -23.661 -2.340 -8.631 1.00 0.00 C ATOM 1229 C LEU A 80 -24.650 -1.419 -9.370 1.00 0.00 C ATOM 1230 O LEU A 80 -24.848 -0.279 -8.947 1.00 0.00 O ATOM 1231 CB LEU A 80 -22.280 -2.356 -9.309 1.00 0.00 C ATOM 1232 CG LEU A 80 -21.638 -0.965 -9.458 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -21.377 -0.295 -8.109 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -20.304 -1.096 -10.184 1.00 0.00 C ATOM 0 H LEU A 80 -23.596 -4.397 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 80 -23.562 -1.924 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -21.611 -2.993 -8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -22.377 -2.807 -10.296 1.00 0.00 H new ATOM 0 HG LEU A 80 -22.340 -0.349 -10.020 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -20.924 0.683 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -22.319 -0.175 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -20.702 -0.915 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -19.849 -0.111 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -19.640 -1.743 -9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.468 -1.528 -11.171 1.00 0.00 H new ATOM 1246 N LYS A 81 -25.329 -1.902 -10.420 1.00 0.00 N ATOM 1247 CA LYS A 81 -26.398 -1.147 -11.097 1.00 0.00 C ATOM 1248 C LYS A 81 -27.551 -0.828 -10.137 1.00 0.00 C ATOM 1249 O LYS A 81 -28.023 0.307 -10.125 1.00 0.00 O ATOM 1250 CB LYS A 81 -26.867 -1.905 -12.350 1.00 0.00 C ATOM 1251 CG LYS A 81 -27.868 -1.083 -13.177 1.00 0.00 C ATOM 1252 CD LYS A 81 -28.294 -1.836 -14.446 1.00 0.00 C ATOM 1253 CE LYS A 81 -29.318 -1.001 -15.224 1.00 0.00 C ATOM 1254 NZ LYS A 81 -29.774 -1.699 -16.455 1.00 0.00 N ATOM 0 H LYS A 81 -25.155 -2.822 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 81 -25.999 -0.186 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -26.004 -2.154 -12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -27.329 -2.847 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -28.747 -0.860 -12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -27.419 -0.128 -13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -27.424 -2.036 -15.071 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -28.724 -2.801 -14.180 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -30.176 -0.790 -14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -28.877 -0.041 -15.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -30.465 -1.105 -16.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -28.958 -1.878 -17.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -30.218 -2.604 -16.197 1.00 0.00 H new ATOM 1268 N VAL A 82 -27.946 -1.769 -9.273 1.00 0.00 N ATOM 1269 CA VAL A 82 -28.949 -1.505 -8.219 1.00 0.00 C ATOM 1270 C VAL A 82 -28.413 -0.510 -7.181 1.00 0.00 C ATOM 1271 O VAL A 82 -29.125 0.430 -6.845 1.00 0.00 O ATOM 1272 CB VAL A 82 -29.475 -2.795 -7.559 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -30.578 -2.497 -6.533 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -30.094 -3.737 -8.601 1.00 0.00 C ATOM 0 H VAL A 82 -27.589 -2.725 -9.278 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.808 -1.046 -8.709 1.00 0.00 H new ATOM 0 HB VAL A 82 -28.614 -3.255 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -30.924 -3.431 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -30.182 -1.848 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -31.412 -2.000 -7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -30.456 -4.638 -8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -30.925 -3.236 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -29.340 -4.007 -9.341 1.00 0.00 H new ATOM 1284 N HIS A 83 -27.157 -0.611 -6.732 1.00 0.00 N ATOM 1285 CA HIS A 83 -26.552 0.419 -5.871 1.00 0.00 C ATOM 1286 C HIS A 83 -26.657 1.820 -6.504 1.00 0.00 C ATOM 1287 O HIS A 83 -27.082 2.770 -5.844 1.00 0.00 O ATOM 1288 CB HIS A 83 -25.092 0.051 -5.550 1.00 0.00 C ATOM 1289 CG HIS A 83 -24.310 1.177 -4.915 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -24.211 1.449 -3.572 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -23.590 2.140 -5.573 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -23.458 2.547 -3.415 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -23.055 3.028 -4.617 1.00 0.00 N ATOM 0 H HIS A 83 -26.538 -1.393 -6.948 1.00 0.00 H new ATOM 0 HA HIS A 83 -27.110 0.454 -4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.082 -0.810 -4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -24.592 -0.254 -6.470 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -24.638 0.907 -2.821 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -23.455 2.207 -6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -23.207 2.988 -2.462 1.00 0.00 H new ATOM 1301 N ILE A 84 -26.344 1.957 -7.795 1.00 0.00 N ATOM 1302 CA ILE A 84 -26.447 3.232 -8.518 1.00 0.00 C ATOM 1303 C ILE A 84 -27.904 3.714 -8.597 1.00 0.00 C ATOM 1304 O ILE A 84 -28.186 4.857 -8.237 1.00 0.00 O ATOM 1305 CB ILE A 84 -25.729 3.129 -9.885 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -24.205 2.990 -9.647 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -26.022 4.361 -10.759 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -23.386 2.641 -10.894 1.00 0.00 C ATOM 0 H ILE A 84 -26.011 1.185 -8.372 1.00 0.00 H new ATOM 0 HA ILE A 84 -25.927 4.012 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 84 -26.101 2.252 -10.414 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.830 3.926 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.038 2.220 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -25.505 4.261 -11.713 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -27.095 4.436 -10.934 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -25.674 5.260 -10.250 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.332 2.565 -10.627 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -23.727 1.688 -11.299 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -23.515 3.421 -11.644 1.00 0.00 H new ATOM 1320 N GLU A 85 -28.849 2.851 -8.978 1.00 0.00 N ATOM 1321 CA GLU A 85 -30.271 3.207 -9.062 1.00 0.00 C ATOM 1322 C GLU A 85 -30.880 3.630 -7.714 1.00 0.00 C ATOM 1323 O GLU A 85 -31.576 4.644 -7.647 1.00 0.00 O ATOM 1324 CB GLU A 85 -31.093 2.012 -9.569 1.00 0.00 C ATOM 1325 CG GLU A 85 -30.974 1.725 -11.071 1.00 0.00 C ATOM 1326 CD GLU A 85 -31.785 0.477 -11.486 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -32.522 -0.102 -10.646 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -31.701 0.076 -12.671 1.00 0.00 O ATOM 0 H GLU A 85 -28.652 1.885 -9.238 1.00 0.00 H new ATOM 0 HA GLU A 85 -30.314 4.053 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -30.786 1.122 -9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -32.142 2.187 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -31.325 2.590 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -29.925 1.579 -11.331 1.00 0.00 H new ATOM 1335 N ARG A 86 -30.643 2.856 -6.646 1.00 0.00 N ATOM 1336 CA ARG A 86 -31.353 2.995 -5.359 1.00 0.00 C ATOM 1337 C ARG A 86 -30.647 3.902 -4.343 1.00 0.00 C ATOM 1338 O ARG A 86 -31.299 4.355 -3.403 1.00 0.00 O ATOM 1339 CB ARG A 86 -31.681 1.607 -4.762 1.00 0.00 C ATOM 1340 CG ARG A 86 -32.219 0.536 -5.736 1.00 0.00 C ATOM 1341 CD ARG A 86 -33.421 0.920 -6.604 1.00 0.00 C ATOM 1342 NE ARG A 86 -33.526 0.046 -7.792 1.00 0.00 N ATOM 1343 CZ ARG A 86 -34.112 -1.131 -7.898 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -34.745 -1.701 -6.911 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -34.050 -1.753 -9.035 1.00 0.00 N ATOM 0 H ARG A 86 -29.949 2.109 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 86 -32.287 3.509 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -30.777 1.217 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -32.416 1.744 -3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -31.405 0.242 -6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -32.490 -0.344 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -34.335 0.848 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -33.327 1.959 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 86 -33.087 0.400 -8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -34.803 -1.235 -6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -35.182 -2.613 -7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -33.556 -1.331 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -34.495 -2.664 -9.143 1.00 0.00 H new ATOM 1359 N VAL A 87 -29.355 4.205 -4.526 1.00 0.00 N ATOM 1360 CA VAL A 87 -28.600 5.168 -3.692 1.00 0.00 C ATOM 1361 C VAL A 87 -28.419 6.519 -4.393 1.00 0.00 C ATOM 1362 O VAL A 87 -28.642 7.555 -3.764 1.00 0.00 O ATOM 1363 CB VAL A 87 -27.241 4.597 -3.224 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -26.539 5.537 -2.235 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -27.409 3.242 -2.521 1.00 0.00 C ATOM 0 H VAL A 87 -28.791 3.786 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 87 -29.204 5.339 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 87 -26.642 4.485 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -25.588 5.100 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -26.359 6.500 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -27.170 5.680 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -26.433 2.872 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -28.050 3.362 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -27.863 2.529 -3.209 1.00 0.00 H new ATOM 1375 N HIS A 88 -28.046 6.535 -5.679 1.00 0.00 N ATOM 1376 CA HIS A 88 -27.638 7.762 -6.382 1.00 0.00 C ATOM 1377 C HIS A 88 -28.696 8.318 -7.357 1.00 0.00 C ATOM 1378 O HIS A 88 -28.802 9.538 -7.498 1.00 0.00 O ATOM 1379 CB HIS A 88 -26.288 7.523 -7.076 1.00 0.00 C ATOM 1380 CG HIS A 88 -25.186 7.114 -6.127 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -24.653 7.876 -5.113 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -24.490 5.937 -6.147 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -23.658 7.185 -4.536 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -23.508 5.981 -5.135 1.00 0.00 N ATOM 0 H HIS A 88 -28.018 5.699 -6.263 1.00 0.00 H new ATOM 0 HA HIS A 88 -27.533 8.543 -5.629 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -26.410 6.749 -7.834 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -25.990 8.433 -7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -24.663 5.113 -6.823 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -23.061 7.540 -3.709 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -22.828 5.257 -4.903 1.00 0.00 H new