USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 65 GLN : amide:sc= -0.66 K(o=-0.83,f=-11!) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.172 K(o=-0.83,f=-3.5!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.27 X(o=-1.1,f=-1.3) USER MOD Set 2.2: A 23 SER OG : rot -87:sc= 0.142 USER MOD Set 3.1: A 17 THR OG1 : rot -132:sc= 0.522 USER MOD Set 3.2: A 20 SER OG : rot -175:sc= 0.959 USER MOD Single : A 12 CYS SG : rot 90:sc= -7.63! USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0313 USER MOD Single : A 19 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 0.0809 (180deg=0.0793) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -44:sc= 0.824 USER MOD Single : A 30 SER OG : rot -150:sc= 0.309 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.128 F(o=-0.8,f=-0.13) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.043) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.439! USER MOD Single : A 58 SER OG : rot -51:sc= 0.955 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 82 TYR OH : rot 120:sc= 0.0161 USER MOD Single : A 84 TYR OH : rot 0:sc= -0.62 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0962 F(o=-0.94,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -4.638 -15.921 -1.850 1.00 0.00 N ATOM 97 CA ILE A 10 -3.599 -14.931 -2.076 1.00 0.00 C ATOM 98 C ILE A 10 -3.853 -13.718 -1.179 1.00 0.00 C ATOM 99 O ILE A 10 -4.988 -13.463 -0.780 1.00 0.00 O ATOM 100 CB ILE A 10 -3.501 -14.586 -3.563 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.053 -14.305 -3.967 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.432 -13.425 -3.919 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.740 -14.904 -5.340 1.00 0.00 C ATOM 0 HA ILE A 10 -2.624 -15.333 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.832 -15.452 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.880 -13.229 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.376 -14.722 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.343 -13.200 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.462 -13.701 -3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.156 -12.546 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.704 -14.690 -5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.891 -15.983 -5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.402 -14.467 -6.087 1.00 0.00 H new ATOM 115 N PHE A 11 -2.776 -13.002 -0.888 1.00 0.00 N ATOM 116 CA PHE A 11 -2.868 -11.821 -0.045 1.00 0.00 C ATOM 117 C PHE A 11 -2.121 -10.642 -0.671 1.00 0.00 C ATOM 118 O PHE A 11 -1.133 -10.833 -1.377 1.00 0.00 O ATOM 119 CB PHE A 11 -2.213 -12.174 1.292 1.00 0.00 C ATOM 120 CG PHE A 11 -3.208 -12.529 2.398 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.754 -13.773 2.448 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.547 -11.600 3.332 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.678 -14.103 3.475 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.470 -11.929 4.359 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.016 -13.174 4.409 1.00 0.00 C ATOM 0 H PHE A 11 -1.836 -13.217 -1.221 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.912 -11.531 0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.536 -13.015 1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.605 -11.331 1.621 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.485 -14.511 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.114 -10.612 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.112 -15.091 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.739 -11.191 5.100 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.718 -13.425 5.191 1.00 0.00 H new ATOM 135 N CYS A 12 -2.623 -9.448 -0.389 1.00 0.00 N ATOM 136 CA CYS A 12 -2.015 -8.238 -0.915 1.00 0.00 C ATOM 137 C CYS A 12 -1.332 -7.502 0.240 1.00 0.00 C ATOM 138 O CYS A 12 -1.989 -6.813 1.018 1.00 0.00 O ATOM 139 CB CYS A 12 -3.041 -7.353 -1.627 1.00 0.00 C ATOM 140 SG CYS A 12 -2.321 -5.704 -1.961 1.00 0.00 S ATOM 0 H CYS A 12 -3.444 -9.293 0.197 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.272 -8.500 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.350 -7.820 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.935 -7.251 -1.011 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.740 -5.712 -3.124 1.00 0.00 H new ATOM 146 N HIS A 13 -0.020 -7.674 0.315 1.00 0.00 N ATOM 147 CA HIS A 13 0.760 -7.035 1.361 1.00 0.00 C ATOM 148 C HIS A 13 0.977 -5.562 1.012 1.00 0.00 C ATOM 149 O HIS A 13 1.675 -5.243 0.051 1.00 0.00 O ATOM 150 CB HIS A 13 2.071 -7.788 1.597 1.00 0.00 C ATOM 151 CG HIS A 13 1.895 -9.142 2.240 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.043 -10.329 1.543 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.582 -9.486 3.522 1.00 0.00 C ATOM 154 CE1 HIS A 13 1.827 -11.335 2.377 1.00 0.00 C ATOM 155 NE2 HIS A 13 1.540 -10.811 3.603 1.00 0.00 N ATOM 0 H HIS A 13 0.522 -8.247 -0.332 1.00 0.00 H new ATOM 0 HA HIS A 13 0.212 -7.072 2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.582 -7.914 0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.719 -7.179 2.228 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.399 -8.798 4.334 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.870 -12.385 2.130 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.328 -11.348 4.444 1.00 0.00 H new ATOM 163 N VAL A 14 0.365 -4.701 1.813 1.00 0.00 N ATOM 164 CA VAL A 14 0.482 -3.268 1.601 1.00 0.00 C ATOM 165 C VAL A 14 1.329 -2.659 2.721 1.00 0.00 C ATOM 166 O VAL A 14 0.827 -2.400 3.813 1.00 0.00 O ATOM 167 CB VAL A 14 -0.909 -2.640 1.495 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.832 -1.116 1.605 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.603 -3.062 0.198 1.00 0.00 C ATOM 0 H VAL A 14 -0.213 -4.968 2.610 1.00 0.00 H new ATOM 0 HA VAL A 14 0.990 -3.061 0.659 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.507 -3.006 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.834 -0.694 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.397 -0.842 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.210 -0.724 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.590 -2.602 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.007 -2.738 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.707 -4.147 0.177 1.00 0.00 H new ATOM 179 N TYR A 15 2.600 -2.449 2.410 1.00 0.00 N ATOM 180 CA TYR A 15 3.521 -1.875 3.376 1.00 0.00 C ATOM 181 C TYR A 15 3.231 -0.389 3.595 1.00 0.00 C ATOM 182 O TYR A 15 3.551 0.442 2.747 1.00 0.00 O ATOM 183 CB TYR A 15 4.917 -2.025 2.767 1.00 0.00 C ATOM 184 CG TYR A 15 5.564 -3.388 3.023 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.812 -4.540 2.918 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.901 -3.465 3.359 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.421 -5.822 3.159 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.510 -4.747 3.600 1.00 0.00 C ATOM 189 CZ TYR A 15 6.740 -5.862 3.488 1.00 0.00 C ATOM 190 OH TYR A 15 7.316 -7.074 3.715 1.00 0.00 O ATOM 0 H TYR A 15 3.013 -2.666 1.503 1.00 0.00 H new ATOM 0 HA TYR A 15 3.428 -2.376 4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.853 -1.861 1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.564 -1.246 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.766 -4.480 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.490 -2.563 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.844 -6.731 3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.555 -4.821 3.864 1.00 0.00 H new ATOM 0 HH TYR A 15 8.262 -6.950 3.939 1.00 0.00 H new ATOM 200 N ILE A 16 2.626 -0.100 4.738 1.00 0.00 N ATOM 201 CA ILE A 16 2.289 1.271 5.080 1.00 0.00 C ATOM 202 C ILE A 16 3.574 2.090 5.213 1.00 0.00 C ATOM 203 O ILE A 16 3.753 3.087 4.515 1.00 0.00 O ATOM 204 CB ILE A 16 1.403 1.310 6.328 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.202 0.374 6.177 1.00 0.00 C ATOM 206 CG2 ILE A 16 0.976 2.743 6.652 1.00 0.00 C ATOM 207 CD1 ILE A 16 -0.246 -0.166 7.536 1.00 0.00 C ATOM 0 H ILE A 16 2.361 -0.792 5.439 1.00 0.00 H new ATOM 0 HA ILE A 16 1.700 1.728 4.285 1.00 0.00 H new ATOM 0 HB ILE A 16 1.988 0.949 7.174 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.622 0.908 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.463 -0.456 5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.348 2.743 7.543 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.860 3.354 6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.415 3.154 5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.101 -0.828 7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.573 -0.720 7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.530 0.665 8.182 1.00 0.00 H new ATOM 219 N THR A 17 4.435 1.639 6.113 1.00 0.00 N ATOM 220 CA THR A 17 5.699 2.318 6.346 1.00 0.00 C ATOM 221 C THR A 17 6.869 1.416 5.949 1.00 0.00 C ATOM 222 O THR A 17 6.814 0.735 4.927 1.00 0.00 O ATOM 223 CB THR A 17 5.737 2.755 7.812 1.00 0.00 C ATOM 224 OG1 THR A 17 5.999 1.550 8.526 1.00 0.00 O ATOM 225 CG2 THR A 17 4.368 3.202 8.326 1.00 0.00 C ATOM 0 H THR A 17 4.283 0.812 6.690 1.00 0.00 H new ATOM 0 HA THR A 17 5.791 3.209 5.724 1.00 0.00 H new ATOM 0 HB THR A 17 6.452 3.569 7.929 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.369 1.468 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.452 3.501 9.371 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.015 4.046 7.734 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.660 2.377 8.240 1.00 0.00 H new ATOM 233 N GLU A 18 7.902 1.442 6.780 1.00 0.00 N ATOM 234 CA GLU A 18 9.084 0.635 6.528 1.00 0.00 C ATOM 235 C GLU A 18 8.979 -0.703 7.262 1.00 0.00 C ATOM 236 O GLU A 18 9.458 -1.724 6.770 1.00 0.00 O ATOM 237 CB GLU A 18 10.355 1.384 6.934 1.00 0.00 C ATOM 238 CG GLU A 18 11.595 0.731 6.322 1.00 0.00 C ATOM 239 CD GLU A 18 12.237 1.645 5.276 1.00 0.00 C ATOM 240 OE1 GLU A 18 11.663 1.732 4.169 1.00 0.00 O ATOM 241 OE2 GLU A 18 13.288 2.236 5.607 1.00 0.00 O ATOM 0 H GLU A 18 7.944 2.009 7.627 1.00 0.00 H new ATOM 0 HA GLU A 18 9.144 0.437 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.289 2.422 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.444 1.395 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.317 0.507 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.321 -0.218 5.861 1.00 0.00 H new ATOM 248 N HIS A 19 8.349 -0.656 8.427 1.00 0.00 N ATOM 249 CA HIS A 19 8.175 -1.852 9.233 1.00 0.00 C ATOM 250 C HIS A 19 6.690 -2.053 9.540 1.00 0.00 C ATOM 251 O HIS A 19 6.335 -2.561 10.602 1.00 0.00 O ATOM 252 CB HIS A 19 9.038 -1.787 10.495 1.00 0.00 C ATOM 253 CG HIS A 19 10.440 -1.282 10.255 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.487 -2.116 9.901 1.00 0.00 N ATOM 255 CD2 HIS A 19 10.957 -0.021 10.320 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.580 -1.379 9.764 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.249 -0.082 10.024 1.00 0.00 N ATOM 0 H HIS A 19 7.953 0.192 8.832 1.00 0.00 H new ATOM 0 HA HIS A 19 8.516 -2.724 8.674 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.550 -1.140 11.224 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.092 -2.782 10.937 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.408 0.875 10.570 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.561 -1.742 9.494 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.890 0.711 9.996 1.00 0.00 H new ATOM 265 N SER A 20 5.861 -1.642 8.590 1.00 0.00 N ATOM 266 CA SER A 20 4.422 -1.770 8.746 1.00 0.00 C ATOM 267 C SER A 20 3.790 -2.206 7.423 1.00 0.00 C ATOM 268 O SER A 20 4.229 -1.788 6.353 1.00 0.00 O ATOM 269 CB SER A 20 3.801 -0.456 9.224 1.00 0.00 C ATOM 270 OG SER A 20 4.582 0.165 10.241 1.00 0.00 O ATOM 0 H SER A 20 6.159 -1.220 7.710 1.00 0.00 H new ATOM 0 HA SER A 20 4.226 -2.529 9.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.699 0.225 8.379 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.797 -0.646 9.603 1.00 0.00 H new ATOM 0 HG SER A 20 4.114 0.959 10.574 1.00 0.00 H new ATOM 276 N TYR A 21 2.768 -3.042 7.539 1.00 0.00 N ATOM 277 CA TYR A 21 2.071 -3.539 6.365 1.00 0.00 C ATOM 278 C TYR A 21 0.677 -4.053 6.732 1.00 0.00 C ATOM 279 O TYR A 21 0.292 -4.032 7.900 1.00 0.00 O ATOM 280 CB TYR A 21 2.909 -4.706 5.840 1.00 0.00 C ATOM 281 CG TYR A 21 2.705 -6.014 6.607 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.229 -6.160 7.875 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.997 -7.049 6.030 1.00 0.00 C ATOM 284 CE1 TYR A 21 3.037 -7.391 8.597 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.804 -8.280 6.752 1.00 0.00 C ATOM 286 CZ TYR A 21 2.334 -8.390 7.999 1.00 0.00 C ATOM 287 OH TYR A 21 2.152 -9.553 8.681 1.00 0.00 O ATOM 0 H TYR A 21 2.406 -3.387 8.428 1.00 0.00 H new ATOM 0 HA TYR A 21 1.949 -2.746 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.666 -4.871 4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.963 -4.432 5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.784 -5.351 8.326 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.588 -6.936 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.442 -7.518 9.590 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.251 -9.097 6.313 1.00 0.00 H new ATOM 0 HH TYR A 21 1.631 -10.176 8.132 1.00 0.00 H new ATOM 297 N VAL A 22 -0.041 -4.501 5.713 1.00 0.00 N ATOM 298 CA VAL A 22 -1.383 -5.019 5.913 1.00 0.00 C ATOM 299 C VAL A 22 -1.635 -6.166 4.932 1.00 0.00 C ATOM 300 O VAL A 22 -1.442 -6.010 3.727 1.00 0.00 O ATOM 301 CB VAL A 22 -2.405 -3.888 5.785 1.00 0.00 C ATOM 302 CG1 VAL A 22 -3.713 -4.248 6.492 1.00 0.00 C ATOM 303 CG2 VAL A 22 -1.837 -2.572 6.321 1.00 0.00 C ATOM 0 H VAL A 22 0.282 -4.516 4.746 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.489 -5.423 6.920 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.623 -3.752 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.422 -3.427 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.132 -5.149 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.518 -4.424 7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.584 -1.785 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.576 -2.690 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.946 -2.303 5.754 1.00 0.00 H new ATOM 313 N SER A 23 -2.062 -7.292 5.485 1.00 0.00 N ATOM 314 CA SER A 23 -2.342 -8.464 4.673 1.00 0.00 C ATOM 315 C SER A 23 -3.809 -8.462 4.239 1.00 0.00 C ATOM 316 O SER A 23 -4.684 -8.879 4.996 1.00 0.00 O ATOM 317 CB SER A 23 -2.015 -9.751 5.434 1.00 0.00 C ATOM 318 OG SER A 23 -0.964 -10.486 4.812 1.00 0.00 O ATOM 0 H SER A 23 -2.221 -7.417 6.485 1.00 0.00 H new ATOM 0 HA SER A 23 -1.708 -8.426 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.729 -9.505 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.907 -10.374 5.493 1.00 0.00 H new ATOM 0 HG SER A 23 -1.340 -11.081 4.130 1.00 0.00 H new ATOM 324 N VAL A 24 -4.032 -7.989 3.022 1.00 0.00 N ATOM 325 CA VAL A 24 -5.378 -7.927 2.478 1.00 0.00 C ATOM 326 C VAL A 24 -5.624 -9.153 1.597 1.00 0.00 C ATOM 327 O VAL A 24 -4.894 -9.387 0.634 1.00 0.00 O ATOM 328 CB VAL A 24 -5.582 -6.605 1.735 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.944 -6.573 1.038 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.420 -5.414 2.680 1.00 0.00 C ATOM 0 H VAL A 24 -3.303 -7.645 2.397 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.116 -7.950 3.280 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.812 -6.529 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.064 -5.623 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.004 -7.391 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.735 -6.683 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.570 -4.487 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.157 -5.482 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.418 -5.423 3.108 1.00 0.00 H new ATOM 340 N LYS A 25 -6.654 -9.904 1.957 1.00 0.00 N ATOM 341 CA LYS A 25 -7.005 -11.100 1.211 1.00 0.00 C ATOM 342 C LYS A 25 -7.909 -10.717 0.037 1.00 0.00 C ATOM 343 O LYS A 25 -9.113 -10.534 0.210 1.00 0.00 O ATOM 344 CB LYS A 25 -7.617 -12.151 2.140 1.00 0.00 C ATOM 345 CG LYS A 25 -8.060 -13.387 1.354 1.00 0.00 C ATOM 346 CD LYS A 25 -6.877 -14.317 1.081 1.00 0.00 C ATOM 347 CE LYS A 25 -7.036 -15.641 1.831 1.00 0.00 C ATOM 348 NZ LYS A 25 -5.898 -16.542 1.539 1.00 0.00 N ATOM 0 H LYS A 25 -7.257 -9.707 2.756 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.112 -11.561 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.889 -12.440 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.472 -11.724 2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.826 -13.923 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.511 -13.080 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.800 -14.508 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.950 -13.831 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.093 -15.454 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.971 -16.120 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.030 -17.442 2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.851 -16.721 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.013 -16.096 1.854 1.00 0.00 H new ATOM 362 N ALA A 26 -7.294 -10.608 -1.131 1.00 0.00 N ATOM 363 CA ALA A 26 -8.027 -10.250 -2.333 1.00 0.00 C ATOM 364 C ALA A 26 -7.972 -11.413 -3.324 1.00 0.00 C ATOM 365 O ALA A 26 -7.367 -12.446 -3.042 1.00 0.00 O ATOM 366 CB ALA A 26 -7.452 -8.958 -2.917 1.00 0.00 C ATOM 0 H ALA A 26 -6.295 -10.761 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.076 -10.064 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.002 -8.690 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.543 -8.156 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.401 -9.107 -3.164 1.00 0.00 H new ATOM 372 N LYS A 27 -8.612 -11.207 -4.466 1.00 0.00 N ATOM 373 CA LYS A 27 -8.644 -12.226 -5.501 1.00 0.00 C ATOM 374 C LYS A 27 -7.295 -12.255 -6.223 1.00 0.00 C ATOM 375 O LYS A 27 -6.417 -11.443 -5.938 1.00 0.00 O ATOM 376 CB LYS A 27 -9.836 -12.006 -6.434 1.00 0.00 C ATOM 377 CG LYS A 27 -11.126 -11.802 -5.636 1.00 0.00 C ATOM 378 CD LYS A 27 -11.626 -13.126 -5.055 1.00 0.00 C ATOM 379 CE LYS A 27 -13.013 -12.962 -4.430 1.00 0.00 C ATOM 380 NZ LYS A 27 -12.911 -12.886 -2.955 1.00 0.00 N ATOM 0 H LYS A 27 -9.113 -10.349 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.792 -13.212 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.653 -11.136 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.946 -12.864 -7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.950 -11.090 -4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.892 -11.371 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.664 -13.881 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.924 -13.485 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.487 -12.059 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.648 -13.801 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.861 -12.775 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.478 -13.759 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.322 -12.071 -2.689 1.00 0.00 H new ATOM 394 N VAL A 28 -7.174 -13.200 -7.144 1.00 0.00 N ATOM 395 CA VAL A 28 -5.947 -13.346 -7.909 1.00 0.00 C ATOM 396 C VAL A 28 -5.930 -12.314 -9.038 1.00 0.00 C ATOM 397 O VAL A 28 -4.905 -12.118 -9.690 1.00 0.00 O ATOM 398 CB VAL A 28 -5.812 -14.785 -8.412 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.970 -15.152 -9.342 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.464 -14.999 -9.104 1.00 0.00 C ATOM 0 H VAL A 28 -7.905 -13.872 -7.378 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.079 -13.153 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.854 -15.448 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.850 -16.180 -9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.913 -15.057 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.974 -14.481 -10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.393 -16.029 -9.452 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.380 -14.322 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.657 -14.798 -8.399 1.00 0.00 H new ATOM 410 N SER A 29 -7.077 -11.681 -9.236 1.00 0.00 N ATOM 411 CA SER A 29 -7.206 -10.674 -10.275 1.00 0.00 C ATOM 412 C SER A 29 -7.902 -9.431 -9.716 1.00 0.00 C ATOM 413 O SER A 29 -8.599 -8.725 -10.443 1.00 0.00 O ATOM 414 CB SER A 29 -7.980 -11.219 -11.477 1.00 0.00 C ATOM 415 OG SER A 29 -8.060 -10.269 -12.537 1.00 0.00 O ATOM 0 H SER A 29 -7.925 -11.846 -8.694 1.00 0.00 H new ATOM 0 HA SER A 29 -6.206 -10.402 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.496 -12.126 -11.839 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.986 -11.498 -11.164 1.00 0.00 H new ATOM 0 HG SER A 29 -8.280 -9.387 -12.170 1.00 0.00 H new ATOM 421 N SER A 30 -7.689 -9.201 -8.429 1.00 0.00 N ATOM 422 CA SER A 30 -8.286 -8.056 -7.764 1.00 0.00 C ATOM 423 C SER A 30 -7.460 -6.799 -8.042 1.00 0.00 C ATOM 424 O SER A 30 -6.240 -6.872 -8.181 1.00 0.00 O ATOM 425 CB SER A 30 -8.401 -8.293 -6.256 1.00 0.00 C ATOM 426 OG SER A 30 -9.703 -8.736 -5.884 1.00 0.00 O ATOM 0 H SER A 30 -7.111 -9.789 -7.829 1.00 0.00 H new ATOM 0 HA SER A 30 -9.292 -7.917 -8.161 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.664 -9.035 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.166 -7.371 -5.725 1.00 0.00 H new ATOM 0 HG SER A 30 -9.904 -8.434 -4.974 1.00 0.00 H new ATOM 432 N ILE A 31 -8.158 -5.675 -8.114 1.00 0.00 N ATOM 433 CA ILE A 31 -7.504 -4.403 -8.374 1.00 0.00 C ATOM 434 C ILE A 31 -6.926 -3.856 -7.067 1.00 0.00 C ATOM 435 O ILE A 31 -7.282 -4.320 -5.984 1.00 0.00 O ATOM 436 CB ILE A 31 -8.464 -3.440 -9.073 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.792 -3.346 -8.320 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.662 -3.831 -10.539 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.562 -2.085 -8.720 1.00 0.00 C ATOM 0 H ILE A 31 -9.170 -5.618 -7.997 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.669 -4.537 -9.061 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.018 -2.446 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.397 -4.228 -8.531 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.605 -3.337 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.349 -3.130 -11.013 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.703 -3.804 -11.056 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.076 -4.838 -10.594 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.502 -2.043 -8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.965 -1.204 -8.485 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.768 -2.109 -9.790 1.00 0.00 H new ATOM 451 N ALA A 32 -6.046 -2.876 -7.210 1.00 0.00 N ATOM 452 CA ALA A 32 -5.417 -2.260 -6.054 1.00 0.00 C ATOM 453 C ALA A 32 -6.490 -1.601 -5.185 1.00 0.00 C ATOM 454 O ALA A 32 -6.452 -1.707 -3.960 1.00 0.00 O ATOM 455 CB ALA A 32 -4.353 -1.265 -6.522 1.00 0.00 C ATOM 0 H ALA A 32 -5.754 -2.493 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.915 -3.011 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.881 -0.803 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.599 -1.788 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.820 -0.494 -7.135 1.00 0.00 H new ATOM 461 N GLN A 33 -7.421 -0.936 -5.853 1.00 0.00 N ATOM 462 CA GLN A 33 -8.503 -0.261 -5.157 1.00 0.00 C ATOM 463 C GLN A 33 -9.144 -1.200 -4.134 1.00 0.00 C ATOM 464 O GLN A 33 -9.431 -0.796 -3.008 1.00 0.00 O ATOM 465 CB GLN A 33 -9.544 0.269 -6.145 1.00 0.00 C ATOM 466 CG GLN A 33 -10.768 0.819 -5.409 1.00 0.00 C ATOM 467 CD GLN A 33 -10.715 2.346 -5.323 1.00 0.00 C ATOM 468 OE1 GLN A 33 -9.812 2.808 -4.462 1.00 0.00 O flip ATOM 469 NE2 GLN A 33 -11.445 3.057 -5.994 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.448 -0.850 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.088 0.595 -4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.102 1.053 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.850 -0.530 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.677 0.512 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.814 0.396 -4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.117 2.636 -6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.384 4.072 -5.913 1.00 0.00 H new ATOM 478 N GLU A 34 -9.351 -2.437 -4.562 1.00 0.00 N ATOM 479 CA GLU A 34 -9.954 -3.437 -3.698 1.00 0.00 C ATOM 480 C GLU A 34 -9.130 -3.599 -2.419 1.00 0.00 C ATOM 481 O GLU A 34 -9.651 -4.027 -1.390 1.00 0.00 O ATOM 482 CB GLU A 34 -10.103 -4.774 -4.427 1.00 0.00 C ATOM 483 CG GLU A 34 -11.322 -4.761 -5.351 1.00 0.00 C ATOM 484 CD GLU A 34 -11.726 -6.183 -5.745 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.386 -6.838 -4.910 1.00 0.00 O ATOM 486 OE2 GLU A 34 -11.365 -6.584 -6.873 1.00 0.00 O ATOM 0 H GLU A 34 -9.112 -2.769 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.953 -3.097 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.204 -4.978 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.202 -5.580 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.156 -4.267 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.098 -4.181 -6.247 1.00 0.00 H new ATOM 493 N ILE A 35 -7.857 -3.248 -2.525 1.00 0.00 N ATOM 494 CA ILE A 35 -6.956 -3.349 -1.389 1.00 0.00 C ATOM 495 C ILE A 35 -6.912 -2.006 -0.657 1.00 0.00 C ATOM 496 O ILE A 35 -7.086 -1.952 0.559 1.00 0.00 O ATOM 497 CB ILE A 35 -5.581 -3.849 -1.839 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.716 -4.921 -2.923 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.760 -4.341 -0.646 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.614 -6.067 -2.453 1.00 0.00 C ATOM 0 H ILE A 35 -7.428 -2.893 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.322 -4.089 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.040 -3.012 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.131 -4.477 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.730 -5.309 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.788 -4.691 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.620 -3.524 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.286 -5.160 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.693 -6.815 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.184 -6.524 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.606 -5.680 -2.220 1.00 0.00 H new ATOM 512 N LEU A 36 -6.679 -0.955 -1.429 1.00 0.00 N ATOM 513 CA LEU A 36 -6.610 0.384 -0.869 1.00 0.00 C ATOM 514 C LEU A 36 -7.848 0.635 -0.006 1.00 0.00 C ATOM 515 O LEU A 36 -7.742 1.174 1.094 1.00 0.00 O ATOM 516 CB LEU A 36 -6.413 1.419 -1.979 1.00 0.00 C ATOM 517 CG LEU A 36 -6.097 2.844 -1.518 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.653 2.953 -1.024 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.403 3.857 -2.623 1.00 0.00 C ATOM 0 H LEU A 36 -6.536 -1.003 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.742 0.481 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.604 1.080 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.317 1.447 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.744 3.082 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.455 3.975 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.503 2.273 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.971 2.688 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.170 4.862 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.798 3.631 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.459 3.801 -2.886 1.00 0.00 H new ATOM 531 N LYS A 37 -8.993 0.233 -0.539 1.00 0.00 N ATOM 532 CA LYS A 37 -10.249 0.408 0.169 1.00 0.00 C ATOM 533 C LYS A 37 -10.184 -0.333 1.506 1.00 0.00 C ATOM 534 O LYS A 37 -10.805 0.085 2.482 1.00 0.00 O ATOM 535 CB LYS A 37 -11.425 -0.016 -0.713 1.00 0.00 C ATOM 536 CG LYS A 37 -11.326 -1.498 -1.083 1.00 0.00 C ATOM 537 CD LYS A 37 -12.514 -2.283 -0.525 1.00 0.00 C ATOM 538 CE LYS A 37 -12.389 -3.773 -0.850 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.728 -4.397 -0.947 1.00 0.00 N ATOM 0 H LYS A 37 -9.077 -0.213 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.415 1.461 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.363 0.170 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.441 0.589 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.292 -1.604 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.396 -1.912 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.570 -2.146 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.441 -1.892 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.852 -3.902 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.804 -4.272 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.625 -5.408 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.227 -4.290 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.274 -3.932 -1.700 1.00 0.00 H new ATOM 553 N VAL A 38 -9.427 -1.420 1.507 1.00 0.00 N ATOM 554 CA VAL A 38 -9.273 -2.224 2.708 1.00 0.00 C ATOM 555 C VAL A 38 -8.253 -1.558 3.634 1.00 0.00 C ATOM 556 O VAL A 38 -8.594 -1.138 4.739 1.00 0.00 O ATOM 557 CB VAL A 38 -8.894 -3.658 2.333 1.00 0.00 C ATOM 558 CG1 VAL A 38 -8.933 -4.573 3.558 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.799 -4.191 1.221 1.00 0.00 C ATOM 0 H VAL A 38 -8.913 -1.763 0.695 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.216 -2.284 3.252 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.871 -3.647 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.660 -5.586 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.228 -4.210 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.939 -4.576 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.508 -5.212 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.835 -4.181 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.699 -3.561 0.337 1.00 0.00 H new ATOM 569 N VAL A 39 -7.022 -1.483 3.150 1.00 0.00 N ATOM 570 CA VAL A 39 -5.951 -0.876 3.920 1.00 0.00 C ATOM 571 C VAL A 39 -6.451 0.430 4.541 1.00 0.00 C ATOM 572 O VAL A 39 -6.349 0.625 5.752 1.00 0.00 O ATOM 573 CB VAL A 39 -4.716 -0.683 3.038 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.586 -0.005 3.816 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.252 -2.015 2.446 1.00 0.00 C ATOM 0 H VAL A 39 -6.743 -1.833 2.233 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.651 -1.531 4.738 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.993 -0.028 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.720 0.120 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.920 0.971 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.311 -0.623 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.373 -1.850 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.001 -2.704 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.051 -2.442 1.840 1.00 0.00 H new ATOM 585 N ALA A 40 -6.982 1.290 3.685 1.00 0.00 N ATOM 586 CA ALA A 40 -7.499 2.571 4.134 1.00 0.00 C ATOM 587 C ALA A 40 -8.235 2.382 5.462 1.00 0.00 C ATOM 588 O ALA A 40 -8.080 3.184 6.382 1.00 0.00 O ATOM 589 CB ALA A 40 -8.397 3.169 3.050 1.00 0.00 C ATOM 0 H ALA A 40 -7.065 1.125 2.682 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.684 3.274 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.784 4.130 3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.819 3.311 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.228 2.492 2.852 1.00 0.00 H new ATOM 595 N GLU A 41 -9.020 1.316 5.520 1.00 0.00 N ATOM 596 CA GLU A 41 -9.781 1.012 6.720 1.00 0.00 C ATOM 597 C GLU A 41 -8.851 0.502 7.823 1.00 0.00 C ATOM 598 O GLU A 41 -8.963 0.917 8.975 1.00 0.00 O ATOM 599 CB GLU A 41 -10.888 -0.002 6.425 1.00 0.00 C ATOM 600 CG GLU A 41 -11.607 0.337 5.117 1.00 0.00 C ATOM 601 CD GLU A 41 -13.081 0.660 5.370 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.727 -0.148 6.072 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.529 1.708 4.857 1.00 0.00 O ATOM 0 H GLU A 41 -9.145 0.652 4.756 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.257 1.929 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.462 -1.003 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.605 -0.013 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.121 1.188 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.528 -0.503 4.426 1.00 0.00 H new ATOM 610 N LYS A 42 -7.953 -0.390 7.431 1.00 0.00 N ATOM 611 CA LYS A 42 -7.004 -0.961 8.371 1.00 0.00 C ATOM 612 C LYS A 42 -6.255 0.168 9.081 1.00 0.00 C ATOM 613 O LYS A 42 -5.768 -0.010 10.197 1.00 0.00 O ATOM 614 CB LYS A 42 -6.086 -1.961 7.666 1.00 0.00 C ATOM 615 CG LYS A 42 -6.399 -3.394 8.101 1.00 0.00 C ATOM 616 CD LYS A 42 -7.863 -3.742 7.829 1.00 0.00 C ATOM 617 CE LYS A 42 -8.011 -4.499 6.508 1.00 0.00 C ATOM 618 NZ LYS A 42 -8.292 -5.930 6.759 1.00 0.00 N ATOM 0 H LYS A 42 -7.863 -0.731 6.474 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.525 -1.531 9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.205 -1.871 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.046 -1.727 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.751 -4.089 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.185 -3.510 9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.254 -4.349 8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.458 -2.829 7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.818 -4.062 5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.098 -4.399 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.390 -6.429 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.509 -6.348 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.175 -6.021 7.301 1.00 0.00 H new ATOM 632 N ILE A 43 -6.185 1.306 8.405 1.00 0.00 N ATOM 633 CA ILE A 43 -5.503 2.464 8.957 1.00 0.00 C ATOM 634 C ILE A 43 -6.538 3.513 9.367 1.00 0.00 C ATOM 635 O ILE A 43 -6.240 4.411 10.153 1.00 0.00 O ATOM 636 CB ILE A 43 -4.454 2.987 7.973 1.00 0.00 C ATOM 637 CG1 ILE A 43 -5.064 4.010 7.014 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.778 1.834 7.228 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.979 4.701 6.186 1.00 0.00 C ATOM 0 H ILE A 43 -6.590 1.450 7.480 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.954 2.189 9.857 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.679 3.501 8.541 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.772 3.514 6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.624 4.755 7.579 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.037 2.233 6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.287 1.176 7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.528 1.271 6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.440 5.423 5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.286 5.216 6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.437 3.956 5.603 1.00 0.00 H new ATOM 651 N GLN A 44 -7.734 3.364 8.816 1.00 0.00 N ATOM 652 CA GLN A 44 -8.816 4.288 9.115 1.00 0.00 C ATOM 653 C GLN A 44 -8.596 5.615 8.386 1.00 0.00 C ATOM 654 O GLN A 44 -8.528 6.669 9.017 1.00 0.00 O ATOM 655 CB GLN A 44 -8.950 4.506 10.623 1.00 0.00 C ATOM 656 CG GLN A 44 -8.927 3.173 11.374 1.00 0.00 C ATOM 657 CD GLN A 44 -9.402 3.348 12.818 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.489 3.833 13.086 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.529 2.929 13.729 1.00 0.00 N ATOM 0 H GLN A 44 -7.978 2.618 8.165 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.750 3.851 8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.137 5.140 10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.880 5.032 10.837 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.565 2.452 10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.916 2.765 11.367 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.636 2.533 13.435 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.752 3.004 14.721 1.00 0.00 H new ATOM 668 N TYR A 45 -8.492 5.521 7.069 1.00 0.00 N ATOM 669 CA TYR A 45 -8.282 6.701 6.248 1.00 0.00 C ATOM 670 C TYR A 45 -9.217 6.700 5.037 1.00 0.00 C ATOM 671 O TYR A 45 -10.221 5.989 5.023 1.00 0.00 O ATOM 672 CB TYR A 45 -6.834 6.623 5.760 1.00 0.00 C ATOM 673 CG TYR A 45 -5.931 7.727 6.313 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.390 7.608 7.577 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.657 8.843 5.548 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.539 8.647 8.097 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.807 9.882 6.068 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.290 9.733 7.317 1.00 0.00 C ATOM 679 OH TYR A 45 -3.487 10.715 7.809 1.00 0.00 O ATOM 0 H TYR A 45 -8.549 4.645 6.550 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.482 7.607 6.820 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.419 5.654 6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.825 6.672 4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.605 6.736 8.176 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.081 8.937 4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.108 8.566 9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.585 10.760 5.480 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.397 11.428 7.143 1.00 0.00 H new ATOM 689 N ALA A 46 -8.853 7.504 4.048 1.00 0.00 N ATOM 690 CA ALA A 46 -9.647 7.605 2.835 1.00 0.00 C ATOM 691 C ALA A 46 -8.854 7.024 1.663 1.00 0.00 C ATOM 692 O ALA A 46 -7.953 7.675 1.135 1.00 0.00 O ATOM 693 CB ALA A 46 -10.044 9.064 2.604 1.00 0.00 C ATOM 0 H ALA A 46 -8.019 8.091 4.062 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.567 7.028 2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.639 9.139 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.630 9.420 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.146 9.674 2.502 1.00 0.00 H new ATOM 699 N GLU A 47 -9.217 5.806 1.290 1.00 0.00 N ATOM 700 CA GLU A 47 -8.551 5.130 0.190 1.00 0.00 C ATOM 701 C GLU A 47 -8.288 6.111 -0.955 1.00 0.00 C ATOM 702 O GLU A 47 -7.211 6.103 -1.549 1.00 0.00 O ATOM 703 CB GLU A 47 -9.369 3.931 -0.293 1.00 0.00 C ATOM 704 CG GLU A 47 -10.833 4.318 -0.511 1.00 0.00 C ATOM 705 CD GLU A 47 -11.630 3.146 -1.090 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.269 2.710 -2.204 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.581 2.714 -0.404 1.00 0.00 O ATOM 0 H GLU A 47 -9.964 5.269 1.730 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.593 4.754 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.948 3.550 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.307 3.126 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.275 4.631 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.891 5.171 -1.187 1.00 0.00 H new ATOM 714 N GLU A 48 -9.291 6.932 -1.230 1.00 0.00 N ATOM 715 CA GLU A 48 -9.182 7.917 -2.292 1.00 0.00 C ATOM 716 C GLU A 48 -7.996 8.848 -2.033 1.00 0.00 C ATOM 717 O GLU A 48 -7.258 9.191 -2.957 1.00 0.00 O ATOM 718 CB GLU A 48 -10.481 8.713 -2.438 1.00 0.00 C ATOM 719 CG GLU A 48 -10.775 9.520 -1.172 1.00 0.00 C ATOM 720 CD GLU A 48 -12.275 9.781 -1.024 1.00 0.00 C ATOM 721 OE1 GLU A 48 -12.731 10.803 -1.581 1.00 0.00 O ATOM 722 OE2 GLU A 48 -12.932 8.953 -0.357 1.00 0.00 O ATOM 0 H GLU A 48 -10.183 6.935 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.009 7.391 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.406 9.385 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.308 8.032 -2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.408 8.980 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.239 10.468 -1.208 1.00 0.00 H new ATOM 729 N ASP A 49 -7.848 9.230 -0.773 1.00 0.00 N ATOM 730 CA ASP A 49 -6.764 10.115 -0.382 1.00 0.00 C ATOM 731 C ASP A 49 -5.458 9.320 -0.327 1.00 0.00 C ATOM 732 O ASP A 49 -4.385 9.893 -0.142 1.00 0.00 O ATOM 733 CB ASP A 49 -7.013 10.711 1.005 1.00 0.00 C ATOM 734 CG ASP A 49 -8.286 11.550 1.129 1.00 0.00 C ATOM 735 OD1 ASP A 49 -8.969 11.702 0.093 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.548 12.022 2.257 1.00 0.00 O ATOM 0 H ASP A 49 -8.461 8.943 -0.010 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.704 10.920 -1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.059 9.898 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.159 11.332 1.276 1.00 0.00 H new ATOM 741 N LEU A 50 -5.591 8.012 -0.492 1.00 0.00 N ATOM 742 CA LEU A 50 -4.434 7.132 -0.463 1.00 0.00 C ATOM 743 C LEU A 50 -4.139 6.640 -1.881 1.00 0.00 C ATOM 744 O LEU A 50 -4.878 6.945 -2.815 1.00 0.00 O ATOM 745 CB LEU A 50 -4.644 6.004 0.549 1.00 0.00 C ATOM 746 CG LEU A 50 -4.771 6.431 2.012 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.041 5.224 2.914 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.540 7.219 2.463 1.00 0.00 C ATOM 0 H LEU A 50 -6.482 7.540 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.551 7.673 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.545 5.457 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.810 5.308 0.465 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.629 7.097 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.127 5.555 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.970 4.742 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.219 4.514 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.657 7.510 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.651 6.597 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.434 8.112 1.847 1.00 0.00 H new ATOM 760 N ALA A 51 -3.056 5.885 -1.997 1.00 0.00 N ATOM 761 CA ALA A 51 -2.653 5.347 -3.286 1.00 0.00 C ATOM 762 C ALA A 51 -1.643 4.219 -3.069 1.00 0.00 C ATOM 763 O ALA A 51 -0.860 4.255 -2.121 1.00 0.00 O ATOM 764 CB ALA A 51 -2.093 6.473 -4.157 1.00 0.00 C ATOM 0 H ALA A 51 -2.445 5.633 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.510 4.925 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.791 6.069 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.859 7.234 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.229 6.919 -3.664 1.00 0.00 H new ATOM 770 N LEU A 52 -1.692 3.244 -3.965 1.00 0.00 N ATOM 771 CA LEU A 52 -0.790 2.107 -3.883 1.00 0.00 C ATOM 772 C LEU A 52 0.549 2.477 -4.525 1.00 0.00 C ATOM 773 O LEU A 52 0.620 2.713 -5.730 1.00 0.00 O ATOM 774 CB LEU A 52 -1.440 0.863 -4.491 1.00 0.00 C ATOM 775 CG LEU A 52 -2.632 0.287 -3.725 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.538 0.618 -2.234 1.00 0.00 C ATOM 777 CD2 LEU A 52 -3.955 0.757 -4.334 1.00 0.00 C ATOM 0 H LEU A 52 -2.342 3.218 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.587 1.856 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.766 1.105 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.680 0.086 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.603 -0.799 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.398 0.197 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.622 0.194 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.528 1.700 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.786 0.333 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.008 1.845 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.015 0.428 -5.372 1.00 0.00 H new ATOM 789 N VAL A 53 1.578 2.516 -3.691 1.00 0.00 N ATOM 790 CA VAL A 53 2.910 2.853 -4.162 1.00 0.00 C ATOM 791 C VAL A 53 3.731 1.572 -4.318 1.00 0.00 C ATOM 792 O VAL A 53 3.950 0.849 -3.347 1.00 0.00 O ATOM 793 CB VAL A 53 3.558 3.867 -3.217 1.00 0.00 C ATOM 794 CG1 VAL A 53 5.083 3.829 -3.334 1.00 0.00 C ATOM 795 CG2 VAL A 53 3.024 5.277 -3.475 1.00 0.00 C ATOM 0 H VAL A 53 1.516 2.320 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 53 2.860 3.328 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 53 3.293 3.590 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.519 4.559 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.443 2.833 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.376 4.068 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.501 5.978 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.244 5.567 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.946 5.292 -3.317 1.00 0.00 H new ATOM 805 N ALA A 54 4.162 1.329 -5.547 1.00 0.00 N ATOM 806 CA ALA A 54 4.954 0.147 -5.842 1.00 0.00 C ATOM 807 C ALA A 54 6.409 0.559 -6.078 1.00 0.00 C ATOM 808 O ALA A 54 6.729 1.163 -7.100 1.00 0.00 O ATOM 809 CB ALA A 54 4.353 -0.583 -7.045 1.00 0.00 C ATOM 0 H ALA A 54 3.978 1.930 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 54 4.939 -0.545 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.947 -1.470 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.329 -0.880 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.354 0.080 -7.910 1.00 0.00 H new ATOM 815 N ILE A 55 7.251 0.214 -5.115 1.00 0.00 N ATOM 816 CA ILE A 55 8.664 0.540 -5.205 1.00 0.00 C ATOM 817 C ILE A 55 9.408 -0.615 -5.878 1.00 0.00 C ATOM 818 O ILE A 55 8.930 -1.749 -5.879 1.00 0.00 O ATOM 819 CB ILE A 55 9.218 0.909 -3.828 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.268 1.855 -3.090 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.630 1.488 -3.941 1.00 0.00 C ATOM 822 CD1 ILE A 55 9.019 2.677 -2.040 1.00 0.00 C ATOM 0 H ILE A 55 6.982 -0.288 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 55 8.812 1.421 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 55 9.291 -0.002 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.787 2.523 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.477 1.280 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.000 1.742 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.290 0.750 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.607 2.385 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.321 3.341 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.479 2.007 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.793 3.270 -2.527 1.00 0.00 H new ATOM 834 N THR A 56 10.565 -0.288 -6.434 1.00 0.00 N ATOM 835 CA THR A 56 11.380 -1.285 -7.108 1.00 0.00 C ATOM 836 C THR A 56 12.739 -1.418 -6.419 1.00 0.00 C ATOM 837 O THR A 56 13.048 -0.666 -5.496 1.00 0.00 O ATOM 838 CB THR A 56 11.483 -0.891 -8.583 1.00 0.00 C ATOM 839 OG1 THR A 56 12.490 -1.756 -9.103 1.00 0.00 O ATOM 840 CG2 THR A 56 12.061 0.512 -8.776 1.00 0.00 C ATOM 0 H THR A 56 10.958 0.653 -6.432 1.00 0.00 H new ATOM 0 HA THR A 56 10.924 -2.273 -7.051 1.00 0.00 H new ATOM 0 HB THR A 56 10.496 -0.942 -9.042 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.621 -1.570 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.112 0.741 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.421 1.241 -8.278 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.062 0.555 -8.347 1.00 0.00 H new ATOM 848 N PHE A 57 13.515 -2.382 -6.893 1.00 0.00 N ATOM 849 CA PHE A 57 14.834 -2.624 -6.333 1.00 0.00 C ATOM 850 C PHE A 57 15.786 -1.469 -6.653 1.00 0.00 C ATOM 851 O PHE A 57 16.821 -1.670 -7.286 1.00 0.00 O ATOM 852 CB PHE A 57 15.367 -3.903 -6.982 1.00 0.00 C ATOM 853 CG PHE A 57 16.417 -4.635 -6.143 1.00 0.00 C ATOM 854 CD1 PHE A 57 16.088 -5.124 -4.917 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.679 -4.796 -6.623 1.00 0.00 C ATOM 856 CE1 PHE A 57 17.063 -5.803 -4.139 1.00 0.00 C ATOM 857 CE2 PHE A 57 18.654 -5.475 -5.845 1.00 0.00 C ATOM 858 CZ PHE A 57 18.325 -5.964 -4.619 1.00 0.00 C ATOM 0 H PHE A 57 13.256 -3.004 -7.658 1.00 0.00 H new ATOM 0 HA PHE A 57 14.767 -2.715 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 57 14.532 -4.578 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.800 -3.654 -7.951 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.086 -4.996 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.940 -4.407 -7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.802 -6.192 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.656 -5.603 -6.227 1.00 0.00 H new ATOM 0 HZ PHE A 57 19.066 -6.480 -4.027 1.00 0.00 H new ATOM 868 N SER A 58 15.400 -0.285 -6.201 1.00 0.00 N ATOM 869 CA SER A 58 16.206 0.902 -6.431 1.00 0.00 C ATOM 870 C SER A 58 15.595 2.100 -5.701 1.00 0.00 C ATOM 871 O SER A 58 15.660 3.228 -6.188 1.00 0.00 O ATOM 872 CB SER A 58 16.333 1.201 -7.927 1.00 0.00 C ATOM 873 OG SER A 58 17.136 2.351 -8.175 1.00 0.00 O ATOM 0 H SER A 58 14.540 -0.122 -5.677 1.00 0.00 H new ATOM 0 HA SER A 58 17.206 0.717 -6.039 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.768 0.339 -8.433 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.341 1.353 -8.352 1.00 0.00 H new ATOM 0 HG SER A 58 16.813 3.099 -7.630 1.00 0.00 H new ATOM 879 N GLY A 59 15.014 1.814 -4.546 1.00 0.00 N ATOM 880 CA GLY A 59 14.391 2.853 -3.744 1.00 0.00 C ATOM 881 C GLY A 59 13.690 3.884 -4.631 1.00 0.00 C ATOM 882 O GLY A 59 13.916 5.085 -4.491 1.00 0.00 O ATOM 0 H GLY A 59 14.961 0.877 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.670 2.406 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.146 3.347 -3.133 1.00 0.00 H new ATOM 886 N GLU A 60 12.853 3.377 -5.524 1.00 0.00 N ATOM 887 CA GLU A 60 12.117 4.239 -6.434 1.00 0.00 C ATOM 888 C GLU A 60 10.614 3.982 -6.310 1.00 0.00 C ATOM 889 O GLU A 60 10.132 2.912 -6.677 1.00 0.00 O ATOM 890 CB GLU A 60 12.590 4.044 -7.876 1.00 0.00 C ATOM 891 CG GLU A 60 13.748 4.989 -8.206 1.00 0.00 C ATOM 892 CD GLU A 60 13.815 5.269 -9.709 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.950 4.283 -10.465 1.00 0.00 O ATOM 894 OE2 GLU A 60 13.730 6.464 -10.067 1.00 0.00 O ATOM 0 H GLU A 60 12.668 2.380 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 60 12.312 5.276 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.906 3.011 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.762 4.224 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.624 5.926 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.688 4.549 -7.872 1.00 0.00 H new ATOM 901 N LYS A 61 9.916 4.981 -5.792 1.00 0.00 N ATOM 902 CA LYS A 61 8.477 4.877 -5.615 1.00 0.00 C ATOM 903 C LYS A 61 7.796 4.911 -6.984 1.00 0.00 C ATOM 904 O LYS A 61 8.191 5.680 -7.859 1.00 0.00 O ATOM 905 CB LYS A 61 7.976 5.955 -4.651 1.00 0.00 C ATOM 906 CG LYS A 61 8.328 5.603 -3.204 1.00 0.00 C ATOM 907 CD LYS A 61 8.179 6.822 -2.292 1.00 0.00 C ATOM 908 CE LYS A 61 9.542 7.295 -1.782 1.00 0.00 C ATOM 909 NZ LYS A 61 9.995 8.482 -2.541 1.00 0.00 N ATOM 0 H LYS A 61 10.320 5.867 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 61 8.218 3.924 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.418 6.916 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.896 6.063 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.679 4.800 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.351 5.231 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.690 7.630 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.537 6.572 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.476 7.537 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.273 6.492 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.921 8.790 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.077 8.239 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.305 9.252 -2.426 1.00 0.00 H new ATOM 923 N HIS A 62 6.783 4.069 -7.127 1.00 0.00 N ATOM 924 CA HIS A 62 6.043 3.993 -8.375 1.00 0.00 C ATOM 925 C HIS A 62 4.546 3.884 -8.078 1.00 0.00 C ATOM 926 O HIS A 62 4.100 2.912 -7.470 1.00 0.00 O ATOM 927 CB HIS A 62 6.560 2.845 -9.245 1.00 0.00 C ATOM 928 CG HIS A 62 6.925 3.257 -10.651 1.00 0.00 C ATOM 929 ND1 HIS A 62 8.004 4.075 -10.937 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.344 2.954 -11.847 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.060 4.251 -12.249 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.030 3.556 -12.811 1.00 0.00 N ATOM 0 H HIS A 62 6.457 3.433 -6.399 1.00 0.00 H new ATOM 0 HA HIS A 62 6.199 4.906 -8.950 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.436 2.406 -8.767 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.799 2.066 -9.291 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.473 2.330 -11.986 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.792 4.841 -12.780 1.00 0.00 H new ATOM 0 HE2 HIS A 62 6.821 3.507 -13.808 1.00 0.00 H new ATOM 940 N GLU A 63 3.812 4.894 -8.521 1.00 0.00 N ATOM 941 CA GLU A 63 2.375 4.924 -8.311 1.00 0.00 C ATOM 942 C GLU A 63 1.651 4.298 -9.504 1.00 0.00 C ATOM 943 O GLU A 63 2.165 4.308 -10.622 1.00 0.00 O ATOM 944 CB GLU A 63 1.887 6.352 -8.060 1.00 0.00 C ATOM 945 CG GLU A 63 1.062 6.431 -6.774 1.00 0.00 C ATOM 946 CD GLU A 63 -0.238 7.205 -7.003 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.142 6.620 -7.638 1.00 0.00 O ATOM 948 OE2 GLU A 63 -0.298 8.364 -6.539 1.00 0.00 O ATOM 0 H GLU A 63 4.186 5.698 -9.025 1.00 0.00 H new ATOM 0 HA GLU A 63 2.145 4.336 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.741 7.025 -7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.285 6.688 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.833 5.425 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.646 6.917 -5.992 1.00 0.00 H new ATOM 955 N LEU A 64 0.467 3.770 -9.227 1.00 0.00 N ATOM 956 CA LEU A 64 -0.333 3.142 -10.265 1.00 0.00 C ATOM 957 C LEU A 64 -1.771 3.656 -10.175 1.00 0.00 C ATOM 958 O LEU A 64 -2.021 4.712 -9.597 1.00 0.00 O ATOM 959 CB LEU A 64 -0.218 1.618 -10.181 1.00 0.00 C ATOM 960 CG LEU A 64 0.993 1.078 -9.417 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.720 1.042 -7.912 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.415 -0.290 -9.957 1.00 0.00 C ATOM 0 H LEU A 64 0.043 3.764 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 64 0.042 3.413 -11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.122 1.231 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.190 1.219 -11.195 1.00 0.00 H new ATOM 0 HG LEU A 64 1.829 1.759 -9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.596 0.654 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.504 2.050 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.135 0.396 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.278 -0.652 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.590 -0.994 -9.848 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.678 -0.200 -11.011 1.00 0.00 H new ATOM 974 N GLN A 65 -2.679 2.884 -10.755 1.00 0.00 N ATOM 975 CA GLN A 65 -4.085 3.249 -10.748 1.00 0.00 C ATOM 976 C GLN A 65 -4.859 2.358 -9.773 1.00 0.00 C ATOM 977 O GLN A 65 -4.372 1.304 -9.369 1.00 0.00 O ATOM 978 CB GLN A 65 -4.680 3.167 -12.155 1.00 0.00 C ATOM 979 CG GLN A 65 -4.452 4.471 -12.923 1.00 0.00 C ATOM 980 CD GLN A 65 -5.778 5.067 -13.398 1.00 0.00 C ATOM 981 OE1 GLN A 65 -6.852 4.562 -13.114 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.645 6.166 -14.135 1.00 0.00 N ATOM 0 H GLN A 65 -2.468 2.008 -11.233 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.171 4.283 -10.413 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.227 2.337 -12.698 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.748 2.961 -12.091 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.935 5.188 -12.285 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.806 4.284 -13.780 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.716 6.536 -14.336 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.472 6.639 -14.500 1.00 0.00 H new ATOM 991 N PRO A 66 -6.084 2.828 -9.414 1.00 0.00 N ATOM 992 CA PRO A 66 -6.930 2.086 -8.494 1.00 0.00 C ATOM 993 C PRO A 66 -7.558 0.874 -9.184 1.00 0.00 C ATOM 994 O PRO A 66 -8.261 0.089 -8.549 1.00 0.00 O ATOM 995 CB PRO A 66 -7.959 3.093 -8.008 1.00 0.00 C ATOM 996 CG PRO A 66 -7.940 4.229 -9.017 1.00 0.00 C ATOM 997 CD PRO A 66 -6.693 4.073 -9.872 1.00 0.00 C ATOM 0 HA PRO A 66 -6.375 1.668 -7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.949 2.641 -7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.711 3.453 -7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.835 4.202 -9.639 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.935 5.192 -8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.943 4.025 -10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.015 4.917 -9.742 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.283 0.759 -10.475 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.813 -0.344 -11.258 1.00 0.00 C ATOM 1007 C ASN A 67 -6.665 -1.262 -11.681 1.00 0.00 C ATOM 1008 O ASN A 67 -6.882 -2.256 -12.372 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.504 0.162 -12.526 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.920 1.504 -12.970 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -6.840 1.585 -13.534 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -8.690 2.551 -12.687 1.00 0.00 N ATOM 0 H ASN A 67 -6.700 1.412 -10.998 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.536 -0.878 -10.641 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.389 -0.571 -13.325 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.573 0.269 -12.344 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.388 3.491 -12.944 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.583 2.414 -12.213 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.467 -0.896 -11.247 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.284 -1.675 -11.572 1.00 0.00 C ATOM 1021 C ASP A 68 -4.212 -2.894 -10.650 1.00 0.00 C ATOM 1022 O ASP A 68 -4.293 -2.760 -9.430 1.00 0.00 O ATOM 1023 CB ASP A 68 -3.010 -0.852 -11.367 1.00 0.00 C ATOM 1024 CG ASP A 68 -2.069 -0.808 -12.573 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -2.333 0.021 -13.470 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -1.106 -1.605 -12.570 1.00 0.00 O ATOM 0 H ASP A 68 -5.291 -0.071 -10.674 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.355 -1.977 -12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.292 0.168 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.466 -1.259 -10.515 1.00 0.00 H new ATOM 1031 N LEU A 69 -4.061 -4.056 -11.269 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.977 -5.298 -10.519 1.00 0.00 C ATOM 1033 C LEU A 69 -2.896 -5.168 -9.444 1.00 0.00 C ATOM 1034 O LEU A 69 -1.920 -4.441 -9.625 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.765 -6.481 -11.465 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.737 -7.651 -11.304 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -6.189 -7.172 -11.376 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -4.446 -8.751 -12.326 1.00 0.00 C ATOM 0 H LEU A 69 -3.995 -4.164 -12.281 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.917 -5.496 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.832 -6.117 -12.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.751 -6.855 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.589 -8.083 -10.315 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.859 -8.024 -11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.374 -6.452 -10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.369 -6.699 -12.342 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.151 -9.571 -12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.549 -8.348 -13.334 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.430 -9.119 -12.185 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.106 -5.884 -8.349 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.161 -5.858 -7.246 1.00 0.00 C ATOM 1052 C VAL A 70 -1.474 -7.220 -7.136 1.00 0.00 C ATOM 1053 O VAL A 70 -0.686 -7.450 -6.220 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.874 -5.442 -5.957 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.499 -4.012 -5.561 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.390 -5.593 -6.095 1.00 0.00 C ATOM 0 H VAL A 70 -3.917 -6.485 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.383 -5.116 -7.426 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.543 -6.109 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.019 -3.741 -4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.423 -3.949 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.788 -3.326 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.872 -5.291 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.746 -4.962 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.634 -6.634 -6.309 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.799 -8.089 -8.082 1.00 0.00 N ATOM 1067 CA ILE A 71 -1.222 -9.423 -8.103 1.00 0.00 C ATOM 1068 C ILE A 71 -0.314 -9.562 -9.327 1.00 0.00 C ATOM 1069 O ILE A 71 0.887 -9.789 -9.190 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.323 -10.483 -8.030 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -3.240 -10.240 -6.829 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -1.727 -11.892 -8.020 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -4.563 -9.609 -7.268 1.00 0.00 C ATOM 0 H ILE A 71 -2.454 -7.896 -8.839 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.598 -9.583 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.938 -10.399 -8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.435 -11.183 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.742 -9.587 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.531 -12.627 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.150 -12.050 -8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.075 -12.005 -7.154 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.196 -9.447 -6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.367 -8.654 -7.756 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.070 -10.276 -7.965 1.00 0.00 H new ATOM 1191 N ARG A 80 7.424 -4.732 -3.420 1.00 0.00 N ATOM 1192 CA ARG A 80 6.530 -4.497 -2.299 1.00 0.00 C ATOM 1193 C ARG A 80 5.661 -3.266 -2.563 1.00 0.00 C ATOM 1194 O ARG A 80 6.153 -2.244 -3.039 1.00 0.00 O ATOM 1195 CB ARG A 80 7.315 -4.291 -1.002 1.00 0.00 C ATOM 1196 CG ARG A 80 7.164 -5.496 -0.072 1.00 0.00 C ATOM 1197 CD ARG A 80 8.444 -5.733 0.731 1.00 0.00 C ATOM 1198 NE ARG A 80 8.902 -4.465 1.341 1.00 0.00 N ATOM 1199 CZ ARG A 80 10.141 -4.260 1.808 1.00 0.00 C ATOM 1200 NH1 ARG A 80 11.054 -5.238 1.736 1.00 0.00 N ATOM 1201 NH2 ARG A 80 10.467 -3.077 2.346 1.00 0.00 N ATOM 0 HA ARG A 80 5.896 -5.377 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.369 -4.134 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.962 -3.392 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.329 -5.332 0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.928 -6.385 -0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.263 -6.475 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.221 -6.135 0.081 1.00 0.00 H new ATOM 0 HE ARG A 80 8.232 -3.699 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.806 -6.138 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.997 -5.082 2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.772 -2.332 2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.410 -2.921 2.702 1.00 0.00 H new ATOM 1215 N ILE A 81 4.383 -3.404 -2.242 1.00 0.00 N ATOM 1216 CA ILE A 81 3.440 -2.316 -2.438 1.00 0.00 C ATOM 1217 C ILE A 81 3.307 -1.521 -1.137 1.00 0.00 C ATOM 1218 O ILE A 81 3.429 -2.081 -0.048 1.00 0.00 O ATOM 1219 CB ILE A 81 2.109 -2.850 -2.971 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.254 -3.343 -4.412 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.003 -1.801 -2.832 1.00 0.00 C ATOM 1222 CD1 ILE A 81 3.008 -4.673 -4.463 1.00 0.00 C ATOM 0 H ILE A 81 3.978 -4.253 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 81 3.807 -1.626 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 81 1.817 -3.708 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.268 -3.463 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.785 -2.597 -5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.067 -2.205 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.879 -1.540 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.274 -0.910 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.097 -5.001 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.003 -4.544 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.462 -5.423 -3.891 1.00 0.00 H new ATOM 1234 N TYR A 82 3.060 -0.229 -1.293 1.00 0.00 N ATOM 1235 CA TYR A 82 2.909 0.648 -0.145 1.00 0.00 C ATOM 1236 C TYR A 82 1.708 1.580 -0.320 1.00 0.00 C ATOM 1237 O TYR A 82 1.049 1.560 -1.358 1.00 0.00 O ATOM 1238 CB TYR A 82 4.187 1.488 -0.085 1.00 0.00 C ATOM 1239 CG TYR A 82 5.462 0.667 0.115 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.001 -0.040 -0.940 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.074 0.633 1.352 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.201 -0.813 -0.752 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.275 -0.140 1.541 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.779 -0.825 0.479 1.00 0.00 C ATOM 1245 OH TYR A 82 8.912 -1.554 0.658 1.00 0.00 O ATOM 0 H TYR A 82 2.961 0.232 -2.198 1.00 0.00 H new ATOM 0 HA TYR A 82 2.747 0.067 0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.277 2.061 -1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.099 2.207 0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.522 -0.014 -1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.652 1.186 2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.632 -1.371 -1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.764 -0.175 2.503 1.00 0.00 H new ATOM 0 HH TYR A 82 9.640 -0.963 0.942 1.00 0.00 H new ATOM 1255 N VAL A 83 1.461 2.374 0.711 1.00 0.00 N ATOM 1256 CA VAL A 83 0.351 3.312 0.684 1.00 0.00 C ATOM 1257 C VAL A 83 0.807 4.652 1.264 1.00 0.00 C ATOM 1258 O VAL A 83 1.341 4.704 2.371 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.852 2.720 1.421 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.458 2.243 2.821 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.003 3.726 1.489 1.00 0.00 C ATOM 0 H VAL A 83 2.010 2.387 1.570 1.00 0.00 H new ATOM 0 HA VAL A 83 0.030 3.494 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.197 1.854 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.332 1.827 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.314 1.477 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.075 3.085 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.845 3.280 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.674 4.620 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.311 3.996 0.479 1.00 0.00 H new ATOM 1271 N TYR A 84 0.580 5.703 0.490 1.00 0.00 N ATOM 1272 CA TYR A 84 0.961 7.040 0.913 1.00 0.00 C ATOM 1273 C TYR A 84 -0.253 7.971 0.947 1.00 0.00 C ATOM 1274 O TYR A 84 -1.244 7.730 0.260 1.00 0.00 O ATOM 1275 CB TYR A 84 1.949 7.549 -0.138 1.00 0.00 C ATOM 1276 CG TYR A 84 3.339 6.915 -0.044 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.480 5.546 -0.140 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.450 7.713 0.137 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.788 4.949 -0.051 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.758 7.116 0.225 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.862 5.764 0.127 1.00 0.00 C ATOM 1282 OH TYR A 84 7.097 5.200 0.211 1.00 0.00 O ATOM 0 H TYR A 84 0.137 5.656 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 84 1.390 7.018 1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.540 7.357 -1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.046 8.630 -0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.610 4.922 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.339 8.785 0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.913 3.879 -0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.636 7.729 0.366 1.00 0.00 H new ATOM 0 HH TYR A 84 7.019 4.227 0.126 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.135 9.015 1.754 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.211 9.983 1.887 1.00 0.00 C ATOM 1294 C ARG A 85 -1.113 11.040 0.785 1.00 0.00 C ATOM 1295 O ARG A 85 -0.145 11.797 0.730 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.165 10.674 3.251 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.564 11.107 3.695 1.00 0.00 C ATOM 1298 CD ARG A 85 -2.791 12.594 3.419 1.00 0.00 C ATOM 1299 NE ARG A 85 -3.998 13.063 4.135 1.00 0.00 N ATOM 1300 CZ ARG A 85 -4.233 14.344 4.452 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -3.345 15.291 4.119 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -5.356 14.678 5.103 1.00 0.00 N ATOM 0 H ARG A 85 0.689 9.212 2.322 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.154 9.444 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.738 9.997 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.510 11.544 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.315 10.517 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.690 10.908 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.922 13.169 3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.906 12.760 2.348 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.695 12.368 4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.490 15.037 3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.524 16.266 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.032 13.957 5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.535 15.653 5.344 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.128 11.057 -0.066 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.168 12.008 -1.164 1.00 0.00 C ATOM 1318 C LYS A 86 -2.268 13.427 -0.600 1.00 0.00 C ATOM 1319 O LYS A 86 -3.086 13.694 0.279 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.293 11.654 -2.139 1.00 0.00 C ATOM 1321 CG LYS A 86 -2.970 10.369 -2.905 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.510 10.433 -4.335 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.443 10.952 -5.301 1.00 0.00 C ATOM 1324 NZ LYS A 86 -2.767 10.560 -6.690 1.00 0.00 N ATOM 0 H LYS A 86 -2.929 10.427 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.247 11.959 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.228 11.531 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.441 12.474 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.891 10.216 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.403 9.514 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.838 9.442 -4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.384 11.084 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.376 12.038 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.467 10.554 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.033 10.920 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.808 9.523 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.688 10.961 -6.958 1.00 0.00 H new ATOM 1424 N ASN A 93 3.941 11.054 0.477 1.00 0.00 N ATOM 1425 CA ASN A 93 4.580 11.043 1.782 1.00 0.00 C ATOM 1426 C ASN A 93 3.968 9.930 2.635 1.00 0.00 C ATOM 1427 O ASN A 93 2.748 9.782 2.687 1.00 0.00 O ATOM 1428 CB ASN A 93 4.364 12.371 2.512 1.00 0.00 C ATOM 1429 CG ASN A 93 4.493 13.553 1.549 1.00 0.00 C ATOM 1430 OD1 ASN A 93 5.437 13.398 0.625 1.00 0.00 O flip ATOM 1431 ND2 ASN A 93 3.782 14.540 1.638 1.00 0.00 N flip ATOM 0 HA ASN A 93 5.648 10.882 1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.377 12.380 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.093 12.471 3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.076 14.595 2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.894 15.310 0.979 1.00 0.00 H new ATOM 1438 N PRO A 94 4.867 9.156 3.301 1.00 0.00 N ATOM 1439 CA PRO A 94 4.428 8.062 4.150 1.00 0.00 C ATOM 1440 C PRO A 94 3.851 8.585 5.466 1.00 0.00 C ATOM 1441 O PRO A 94 3.533 9.768 5.582 1.00 0.00 O ATOM 1442 CB PRO A 94 5.662 7.196 4.344 1.00 0.00 C ATOM 1443 CG PRO A 94 6.849 8.076 3.988 1.00 0.00 C ATOM 1444 CD PRO A 94 6.319 9.303 3.264 1.00 0.00 C ATOM 0 HA PRO A 94 3.618 7.484 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.733 6.842 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.624 6.314 3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.391 8.368 4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.551 7.533 3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.637 10.222 3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.687 9.348 2.239 1.00 0.00 H new ATOM 1452 N PHE A 95 3.734 7.679 6.426 1.00 0.00 N ATOM 1453 CA PHE A 95 3.201 8.035 7.730 1.00 0.00 C ATOM 1454 C PHE A 95 4.261 7.866 8.820 1.00 0.00 C ATOM 1455 O PHE A 95 5.428 7.617 8.522 1.00 0.00 O ATOM 1456 CB PHE A 95 2.039 7.081 8.014 1.00 0.00 C ATOM 1457 CG PHE A 95 0.746 7.439 7.278 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.161 8.650 7.481 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.181 6.547 6.422 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -1.038 8.983 6.799 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -1.019 6.879 5.739 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.603 8.090 5.942 1.00 0.00 C ATOM 0 H PHE A 95 3.999 6.699 6.327 1.00 0.00 H new ATOM 0 HA PHE A 95 2.881 9.077 7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.336 6.070 7.735 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.844 7.071 9.086 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.609 9.359 8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.645 5.585 6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.502 9.945 6.960 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.467 6.170 5.059 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.516 8.343 5.423 1.00 0.00 H new