USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 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 Single : A 4 MET CE :methyl 168:sc= -0.402 (180deg=-0.882) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -3.67! X(o=-3.7!,f=-3.2) USER MOD Single : A 18 THR OG1 : rot 90:sc= -0.526 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0587 USER MOD Single : A 28 CYS SG : rot -140:sc= -6.54! USER MOD Single : A 35 CYS SG : rot 17:sc= -7.36! USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.118) USER MOD Single : A 43 CYS SG : rot 58:sc=-0.00615 USER MOD Single : A 44 HIS : no HE2:sc= 0.348 K(o=0.35,f=-5.9!) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0308 USER MOD Single : A 52 SER OG : rot -160:sc= 0.21 USER MOD Single : A 59 ASN : amide:sc= -0.324 K(o=-0.32,f=-3.3!) USER MOD Single : A 62 MET CE :methyl -110:sc= -6.18! (180deg=-8.65!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.33) USER MOD Single : A 74 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.337 -1.457 -11.424 1.00 0.00 N ATOM 77 CA MET A 4 -2.289 -2.037 -10.593 1.00 0.00 C ATOM 78 C MET A 4 -2.849 -2.433 -9.232 1.00 0.00 C ATOM 79 O MET A 4 -4.053 -2.334 -8.998 1.00 0.00 O ATOM 80 CB MET A 4 -1.130 -1.054 -10.418 1.00 0.00 C ATOM 81 CG MET A 4 -0.642 -0.449 -11.725 1.00 0.00 C ATOM 82 SD MET A 4 0.894 -1.195 -12.308 1.00 0.00 S ATOM 83 CE MET A 4 0.423 -2.921 -12.390 1.00 0.00 C ATOM 0 HA MET A 4 -1.913 -2.930 -11.093 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.443 -0.251 -9.750 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.300 -1.567 -9.932 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.412 -0.571 -12.487 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.493 0.622 -11.591 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.186 -3.481 -12.931 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.327 -3.320 -11.380 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.531 -3.014 -12.909 1.00 0.00 H new ATOM 93 N PHE A 5 -1.978 -2.892 -8.342 1.00 0.00 N ATOM 94 CA PHE A 5 -2.410 -3.313 -7.015 1.00 0.00 C ATOM 95 C PHE A 5 -1.279 -3.221 -6.001 1.00 0.00 C ATOM 96 O PHE A 5 -0.103 -3.246 -6.360 1.00 0.00 O ATOM 97 CB PHE A 5 -2.925 -4.753 -7.073 1.00 0.00 C ATOM 98 CG PHE A 5 -1.854 -5.756 -7.396 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.150 -5.673 -8.586 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.547 -6.775 -6.509 1.00 0.00 C ATOM 101 CE1 PHE A 5 -0.160 -6.587 -8.887 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.557 -7.695 -6.806 1.00 0.00 C ATOM 103 CZ PHE A 5 0.137 -7.600 -7.997 1.00 0.00 C ATOM 0 H PHE A 5 -0.976 -2.982 -8.512 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.207 -2.642 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.375 -5.009 -6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.713 -4.819 -7.823 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.378 -4.884 -9.287 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.086 -6.852 -5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.382 -6.510 -9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.327 -8.486 -6.108 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.910 -8.317 -8.231 1.00 0.00 H new ATOM 113 N LEU A 6 -1.648 -3.126 -4.728 1.00 0.00 N ATOM 114 CA LEU A 6 -0.660 -3.044 -3.657 1.00 0.00 C ATOM 115 C LEU A 6 -0.922 -4.089 -2.574 1.00 0.00 C ATOM 116 O LEU A 6 -2.070 -4.355 -2.217 1.00 0.00 O ATOM 117 CB LEU A 6 -0.646 -1.644 -3.039 1.00 0.00 C ATOM 118 CG LEU A 6 -1.898 -1.262 -2.254 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.901 -1.926 -0.886 1.00 0.00 C ATOM 120 CD2 LEU A 6 -1.993 0.251 -2.113 1.00 0.00 C ATOM 0 H LEU A 6 -2.618 -3.104 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 6 0.316 -3.247 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.216 -1.567 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.501 -0.915 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.769 -1.616 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.802 -1.639 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.879 -3.009 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.023 -1.606 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.891 0.508 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.115 0.623 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.041 0.706 -3.102 1.00 0.00 H new ATOM 132 N THR A 7 0.156 -4.670 -2.049 1.00 0.00 N ATOM 133 CA THR A 7 0.050 -5.675 -0.993 1.00 0.00 C ATOM 134 C THR A 7 0.446 -5.085 0.355 1.00 0.00 C ATOM 135 O THR A 7 1.615 -4.773 0.587 1.00 0.00 O ATOM 136 CB THR A 7 0.925 -6.890 -1.300 1.00 0.00 C ATOM 137 OG1 THR A 7 0.580 -7.459 -2.551 1.00 0.00 O ATOM 138 CG2 THR A 7 0.809 -7.977 -0.251 1.00 0.00 C ATOM 0 H THR A 7 1.112 -4.462 -2.338 1.00 0.00 H new ATOM 0 HA THR A 7 -0.990 -5.997 -0.948 1.00 0.00 H new ATOM 0 HB THR A 7 1.949 -6.518 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.154 -8.234 -2.727 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.452 -8.814 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.116 -7.582 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.225 -8.318 -0.193 1.00 0.00 H new ATOM 146 N VAL A 8 -0.536 -4.935 1.237 1.00 0.00 N ATOM 147 CA VAL A 8 -0.300 -4.376 2.565 1.00 0.00 C ATOM 148 C VAL A 8 0.013 -5.467 3.577 1.00 0.00 C ATOM 149 O VAL A 8 -0.265 -6.637 3.342 1.00 0.00 O ATOM 150 CB VAL A 8 -1.511 -3.567 3.064 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.115 -2.664 4.223 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.110 -2.752 1.934 1.00 0.00 C ATOM 0 H VAL A 8 -1.506 -5.193 1.056 1.00 0.00 H new ATOM 0 HA VAL A 8 0.559 -3.711 2.472 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.266 -4.268 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.986 -2.102 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.735 -3.272 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.340 -1.971 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.965 -2.187 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.360 -2.062 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.436 -3.420 1.137 1.00 0.00 H new ATOM 162 N TYR A 9 0.603 -5.071 4.698 1.00 0.00 N ATOM 163 CA TYR A 9 0.969 -6.011 5.746 1.00 0.00 C ATOM 164 C TYR A 9 0.127 -5.797 6.993 1.00 0.00 C ATOM 165 O TYR A 9 -0.020 -4.669 7.482 1.00 0.00 O ATOM 166 CB TYR A 9 2.455 -5.891 6.077 1.00 0.00 C ATOM 167 CG TYR A 9 3.329 -6.756 5.199 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.355 -7.519 5.738 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.121 -6.812 3.826 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.153 -8.311 4.934 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.914 -7.603 3.016 1.00 0.00 C ATOM 172 CZ TYR A 9 4.928 -8.350 3.575 1.00 0.00 C ATOM 173 OH TYR A 9 5.720 -9.140 2.772 1.00 0.00 O ATOM 0 H TYR A 9 0.838 -4.100 4.904 1.00 0.00 H new ATOM 0 HA TYR A 9 0.774 -7.018 5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.762 -4.850 5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.612 -6.166 7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.533 -7.494 6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.327 -6.228 3.385 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.949 -8.897 5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.740 -7.635 1.951 1.00 0.00 H new ATOM 0 HH TYR A 9 5.429 -9.055 1.840 1.00 0.00 H new ATOM 183 N LEU A 10 -0.425 -6.900 7.487 1.00 0.00 N ATOM 184 CA LEU A 10 -1.272 -6.887 8.670 1.00 0.00 C ATOM 185 C LEU A 10 -0.456 -7.133 9.932 1.00 0.00 C ATOM 186 O LEU A 10 0.371 -8.043 9.984 1.00 0.00 O ATOM 187 CB LEU A 10 -2.363 -7.957 8.544 1.00 0.00 C ATOM 188 CG LEU A 10 -3.771 -7.421 8.293 1.00 0.00 C ATOM 189 CD1 LEU A 10 -4.778 -8.561 8.257 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.152 -6.404 9.359 1.00 0.00 C ATOM 0 H LEU A 10 -0.297 -7.826 7.078 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.733 -5.902 8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.097 -8.631 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.375 -8.551 9.458 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.782 -6.923 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.775 -8.160 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.516 -9.253 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.765 -9.088 9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.158 -6.033 9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.123 -6.877 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.448 -5.572 9.337 1.00 0.00 H new ATOM 241 N GLU A 14 5.795 -10.086 9.040 1.00 0.00 N ATOM 242 CA GLU A 14 6.383 -9.908 7.716 1.00 0.00 C ATOM 243 C GLU A 14 5.880 -10.968 6.734 1.00 0.00 C ATOM 244 O GLU A 14 6.407 -11.094 5.628 1.00 0.00 O ATOM 245 CB GLU A 14 7.910 -9.959 7.806 1.00 0.00 C ATOM 246 CG GLU A 14 8.597 -8.755 7.183 1.00 0.00 C ATOM 247 CD GLU A 14 9.504 -9.131 6.028 1.00 0.00 C ATOM 248 OE1 GLU A 14 8.988 -9.338 4.910 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.732 -9.220 6.242 1.00 0.00 O ATOM 0 HA GLU A 14 6.076 -8.931 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.202 -10.031 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.265 -10.864 7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.841 -8.052 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.181 -8.240 7.946 1.00 0.00 H new ATOM 256 N GLN A 15 4.865 -11.726 7.139 1.00 0.00 N ATOM 257 CA GLN A 15 4.306 -12.768 6.283 1.00 0.00 C ATOM 258 C GLN A 15 2.804 -12.611 6.117 1.00 0.00 C ATOM 259 O GLN A 15 2.213 -13.241 5.239 1.00 0.00 O ATOM 260 CB GLN A 15 4.634 -14.153 6.840 1.00 0.00 C ATOM 261 CG GLN A 15 5.982 -14.689 6.383 1.00 0.00 C ATOM 262 CD GLN A 15 6.972 -14.827 7.523 1.00 0.00 C ATOM 263 OE1 GLN A 15 7.209 -15.925 8.026 1.00 0.00 O ATOM 264 NE2 GLN A 15 7.559 -13.710 7.936 1.00 0.00 N ATOM 0 H GLN A 15 4.415 -11.639 8.050 1.00 0.00 H new ATOM 0 HA GLN A 15 4.763 -12.664 5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.620 -14.110 7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.853 -14.851 6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.841 -15.661 5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.396 -14.023 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.333 -12.821 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.236 -13.741 8.698 1.00 0.00 H new ATOM 273 N HIS A 16 2.176 -11.749 6.917 1.00 0.00 N ATOM 274 CA HIS A 16 0.751 -11.541 6.753 1.00 0.00 C ATOM 275 C HIS A 16 0.554 -10.258 5.974 1.00 0.00 C ATOM 276 O HIS A 16 1.005 -9.187 6.384 1.00 0.00 O ATOM 277 CB HIS A 16 0.071 -11.432 8.120 1.00 0.00 C ATOM 278 CG HIS A 16 -1.422 -11.468 8.066 1.00 0.00 C ATOM 279 ND1 HIS A 16 -2.215 -11.060 9.117 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.271 -11.860 7.087 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.486 -11.199 8.789 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.548 -11.682 7.560 1.00 0.00 N ATOM 0 H HIS A 16 2.618 -11.204 7.658 1.00 0.00 H new ATOM 0 HA HIS A 16 0.308 -12.382 6.220 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.420 -12.248 8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.384 -10.503 8.596 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.995 -12.242 6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.331 -10.959 9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.405 -11.889 7.047 1.00 0.00 H new ATOM 291 N PHE A 17 -0.113 -10.379 4.844 1.00 0.00 N ATOM 292 CA PHE A 17 -0.367 -9.241 3.987 1.00 0.00 C ATOM 293 C PHE A 17 -1.723 -9.331 3.328 1.00 0.00 C ATOM 294 O PHE A 17 -2.285 -10.416 3.181 1.00 0.00 O ATOM 295 CB PHE A 17 0.712 -9.122 2.922 1.00 0.00 C ATOM 296 CG PHE A 17 1.009 -10.424 2.260 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.096 -11.187 2.667 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.198 -10.888 1.234 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.376 -12.390 2.062 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.475 -12.098 0.623 1.00 0.00 C ATOM 301 CZ PHE A 17 1.565 -12.849 1.035 1.00 0.00 C ATOM 0 H PHE A 17 -0.491 -11.261 4.497 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.352 -8.352 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.397 -8.399 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.624 -8.733 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.728 -10.832 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.651 -10.303 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.224 -12.975 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.158 -12.457 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.783 -13.792 0.556 1.00 0.00 H new ATOM 311 N THR A 18 -2.215 -8.198 2.874 1.00 0.00 N ATOM 312 CA THR A 18 -3.471 -8.167 2.161 1.00 0.00 C ATOM 313 C THR A 18 -3.306 -7.348 0.889 1.00 0.00 C ATOM 314 O THR A 18 -3.053 -6.144 0.940 1.00 0.00 O ATOM 315 CB THR A 18 -4.594 -7.603 3.035 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.858 -7.858 2.449 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.488 -6.110 3.264 1.00 0.00 C ATOM 0 H THR A 18 -1.765 -7.290 2.986 1.00 0.00 H new ATOM 0 HA THR A 18 -3.752 -9.187 1.898 1.00 0.00 H new ATOM 0 HB THR A 18 -4.492 -8.107 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.198 -8.720 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.316 -5.778 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.544 -5.884 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.528 -5.591 2.306 1.00 0.00 H new ATOM 325 N GLU A 19 -3.426 -8.013 -0.249 1.00 0.00 N ATOM 326 CA GLU A 19 -3.263 -7.349 -1.533 1.00 0.00 C ATOM 327 C GLU A 19 -4.600 -6.885 -2.083 1.00 0.00 C ATOM 328 O GLU A 19 -5.645 -7.457 -1.774 1.00 0.00 O ATOM 329 CB GLU A 19 -2.566 -8.274 -2.531 1.00 0.00 C ATOM 330 CG GLU A 19 -3.021 -9.723 -2.457 1.00 0.00 C ATOM 331 CD GLU A 19 -2.507 -10.554 -3.615 1.00 0.00 C ATOM 332 OE1 GLU A 19 -3.237 -11.463 -4.063 1.00 0.00 O ATOM 333 OE2 GLU A 19 -1.374 -10.296 -4.075 1.00 0.00 O ATOM 0 H GLU A 19 -3.635 -9.009 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.638 -6.469 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.741 -7.900 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.491 -8.233 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.677 -10.161 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.110 -9.758 -2.445 1.00 0.00 H new ATOM 340 N VAL A 20 -4.556 -5.826 -2.879 1.00 0.00 N ATOM 341 CA VAL A 20 -5.772 -5.263 -3.451 1.00 0.00 C ATOM 342 C VAL A 20 -5.522 -4.554 -4.780 1.00 0.00 C ATOM 343 O VAL A 20 -4.641 -3.696 -4.881 1.00 0.00 O ATOM 344 CB VAL A 20 -6.416 -4.255 -2.480 1.00 0.00 C ATOM 345 CG1 VAL A 20 -7.186 -4.979 -1.390 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.357 -3.339 -1.880 1.00 0.00 C ATOM 0 H VAL A 20 -3.698 -5.342 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.440 -6.106 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.120 -3.639 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.633 -4.250 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.972 -5.585 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.507 -5.623 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.831 -2.634 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.626 -3.936 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.856 -2.791 -2.678 1.00 0.00 H new ATOM 356 N PRO A 21 -6.321 -4.885 -5.816 1.00 0.00 N ATOM 357 CA PRO A 21 -6.219 -4.268 -7.131 1.00 0.00 C ATOM 358 C PRO A 21 -7.101 -3.032 -7.220 1.00 0.00 C ATOM 359 O PRO A 21 -8.296 -3.099 -6.934 1.00 0.00 O ATOM 360 CB PRO A 21 -6.736 -5.370 -8.047 1.00 0.00 C ATOM 361 CG PRO A 21 -7.774 -6.076 -7.237 1.00 0.00 C ATOM 362 CD PRO A 21 -7.410 -5.879 -5.781 1.00 0.00 C ATOM 0 HA PRO A 21 -5.213 -3.928 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.160 -4.958 -8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.935 -6.048 -8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.765 -5.673 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.803 -7.137 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.261 -5.519 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.084 -6.812 -5.321 1.00 0.00 H new ATOM 370 N VAL A 22 -6.515 -1.900 -7.585 1.00 0.00 N ATOM 371 CA VAL A 22 -7.279 -0.662 -7.664 1.00 0.00 C ATOM 372 C VAL A 22 -6.726 0.292 -8.718 1.00 0.00 C ATOM 373 O VAL A 22 -5.576 0.181 -9.141 1.00 0.00 O ATOM 374 CB VAL A 22 -7.329 0.049 -6.278 1.00 0.00 C ATOM 375 CG1 VAL A 22 -6.708 -0.830 -5.197 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.648 1.420 -6.305 1.00 0.00 C ATOM 0 H VAL A 22 -5.528 -1.812 -7.828 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.291 -0.936 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.381 0.212 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.754 -0.314 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.258 -1.769 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.668 -1.036 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.709 1.876 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.602 1.301 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.148 2.060 -7.031 1.00 0.00 H new ATOM 386 N THR A 23 -7.558 1.251 -9.102 1.00 0.00 N ATOM 387 CA THR A 23 -7.179 2.268 -10.070 1.00 0.00 C ATOM 388 C THR A 23 -6.834 3.546 -9.316 1.00 0.00 C ATOM 389 O THR A 23 -7.090 3.636 -8.117 1.00 0.00 O ATOM 390 CB THR A 23 -8.319 2.520 -11.064 1.00 0.00 C ATOM 391 OG1 THR A 23 -9.246 3.457 -10.541 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.090 1.268 -11.425 1.00 0.00 C ATOM 0 H THR A 23 -8.511 1.345 -8.752 1.00 0.00 H new ATOM 0 HA THR A 23 -6.314 1.930 -10.640 1.00 0.00 H new ATOM 0 HB THR A 23 -7.835 2.902 -11.963 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.964 3.605 -11.191 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.881 1.519 -12.131 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.415 0.543 -11.879 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.530 0.839 -10.525 1.00 0.00 H new ATOM 400 N PRO A 24 -6.248 4.554 -9.971 1.00 0.00 N ATOM 401 CA PRO A 24 -5.894 5.796 -9.289 1.00 0.00 C ATOM 402 C PRO A 24 -7.122 6.627 -8.928 1.00 0.00 C ATOM 403 O PRO A 24 -7.245 7.788 -9.316 1.00 0.00 O ATOM 404 CB PRO A 24 -5.007 6.517 -10.293 1.00 0.00 C ATOM 405 CG PRO A 24 -5.429 5.996 -11.625 1.00 0.00 C ATOM 406 CD PRO A 24 -5.887 4.577 -11.400 1.00 0.00 C ATOM 0 HA PRO A 24 -5.397 5.616 -8.336 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.139 7.597 -10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.953 6.314 -10.106 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.233 6.602 -12.042 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.603 6.030 -12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.738 4.325 -12.033 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.098 3.860 -11.626 1.00 0.00 H new ATOM 414 N GLU A 25 -8.018 6.011 -8.163 1.00 0.00 N ATOM 415 CA GLU A 25 -9.240 6.657 -7.708 1.00 0.00 C ATOM 416 C GLU A 25 -9.372 6.473 -6.202 1.00 0.00 C ATOM 417 O GLU A 25 -9.618 7.428 -5.465 1.00 0.00 O ATOM 418 CB GLU A 25 -10.459 6.072 -8.426 1.00 0.00 C ATOM 419 CG GLU A 25 -11.338 7.123 -9.085 1.00 0.00 C ATOM 420 CD GLU A 25 -12.356 7.713 -8.129 1.00 0.00 C ATOM 421 OE1 GLU A 25 -12.111 7.678 -6.904 1.00 0.00 O ATOM 422 OE2 GLU A 25 -13.398 8.210 -8.604 1.00 0.00 O ATOM 0 H GLU A 25 -7.915 5.048 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.191 7.721 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.120 5.366 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.056 5.508 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.710 7.922 -9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.857 6.677 -9.933 1.00 0.00 H new ATOM 429 N THR A 26 -9.172 5.235 -5.751 1.00 0.00 N ATOM 430 CA THR A 26 -9.232 4.921 -4.331 1.00 0.00 C ATOM 431 C THR A 26 -7.851 5.079 -3.717 1.00 0.00 C ATOM 432 O THR A 26 -6.843 4.863 -4.390 1.00 0.00 O ATOM 433 CB THR A 26 -9.738 3.501 -4.101 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.116 2.591 -4.992 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.236 3.366 -4.268 1.00 0.00 C ATOM 0 H THR A 26 -8.967 4.436 -6.351 1.00 0.00 H new ATOM 0 HA THR A 26 -9.930 5.611 -3.856 1.00 0.00 H new ATOM 0 HB THR A 26 -9.483 3.269 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.455 1.687 -4.825 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.530 2.331 -4.091 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.742 4.015 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.517 3.654 -5.281 1.00 0.00 H new ATOM 443 N ILE A 27 -7.793 5.451 -2.445 1.00 0.00 N ATOM 444 CA ILE A 27 -6.495 5.618 -1.793 1.00 0.00 C ATOM 445 C ILE A 27 -6.467 5.065 -0.365 1.00 0.00 C ATOM 446 O ILE A 27 -7.282 5.433 0.480 1.00 0.00 O ATOM 447 CB ILE A 27 -6.150 7.122 -1.735 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.039 7.843 -0.708 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.313 7.765 -3.107 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.516 7.513 -0.810 1.00 0.00 C ATOM 0 H ILE A 27 -8.604 5.639 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.769 5.058 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.109 7.217 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.692 7.591 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.911 8.919 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.065 8.825 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.646 7.278 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.344 7.653 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.066 8.066 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.884 7.792 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.661 6.443 -0.658 1.00 0.00 H new ATOM 462 N CYS A 28 -5.477 4.213 -0.101 1.00 0.00 N ATOM 463 CA CYS A 28 -5.251 3.613 1.220 1.00 0.00 C ATOM 464 C CYS A 28 -6.558 3.273 1.936 1.00 0.00 C ATOM 465 O CYS A 28 -6.588 3.124 3.161 1.00 0.00 O ATOM 466 CB CYS A 28 -4.372 4.499 2.093 1.00 0.00 C ATOM 467 SG CYS A 28 -3.491 3.598 3.390 1.00 0.00 S ATOM 0 H CYS A 28 -4.800 3.915 -0.804 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.724 2.675 1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.646 5.011 1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.991 5.268 2.554 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.492 4.301 4.484 1.00 0.00 H new ATOM 473 N ARG A 29 -7.621 3.107 1.170 1.00 0.00 N ATOM 474 CA ARG A 29 -8.916 2.753 1.724 1.00 0.00 C ATOM 475 C ARG A 29 -8.957 1.256 1.868 1.00 0.00 C ATOM 476 O ARG A 29 -9.333 0.717 2.908 1.00 0.00 O ATOM 477 CB ARG A 29 -10.049 3.239 0.816 1.00 0.00 C ATOM 478 CG ARG A 29 -11.044 4.148 1.518 1.00 0.00 C ATOM 479 CD ARG A 29 -11.696 5.116 0.544 1.00 0.00 C ATOM 480 NE ARG A 29 -12.350 6.227 1.231 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.547 6.142 1.808 1.00 0.00 C ATOM 482 NH1 ARG A 29 -14.223 4.999 1.783 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.069 7.201 2.412 1.00 0.00 N ATOM 0 H ARG A 29 -7.613 3.212 0.156 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.053 3.232 2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.620 3.771 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.579 2.375 0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.812 3.544 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.536 4.707 2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.941 5.506 -0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.429 4.582 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.861 7.121 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.826 4.181 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.140 4.939 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.554 8.081 2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.986 7.136 2.854 1.00 0.00 H new ATOM 497 N ASP A 30 -8.507 0.598 0.816 1.00 0.00 N ATOM 498 CA ASP A 30 -8.422 -0.846 0.810 1.00 0.00 C ATOM 499 C ASP A 30 -7.234 -1.271 1.663 1.00 0.00 C ATOM 500 O ASP A 30 -7.249 -2.328 2.294 1.00 0.00 O ATOM 501 CB ASP A 30 -8.267 -1.373 -0.618 1.00 0.00 C ATOM 502 CG ASP A 30 -9.597 -1.740 -1.248 1.00 0.00 C ATOM 503 OD1 ASP A 30 -10.598 -1.049 -0.966 1.00 0.00 O ATOM 504 OD2 ASP A 30 -9.636 -2.719 -2.024 1.00 0.00 O ATOM 0 H ASP A 30 -8.195 1.044 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.340 -1.264 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.775 -0.617 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.618 -2.249 -0.610 1.00 0.00 H new ATOM 509 N VAL A 31 -6.204 -0.419 1.685 1.00 0.00 N ATOM 510 CA VAL A 31 -5.004 -0.688 2.465 1.00 0.00 C ATOM 511 C VAL A 31 -5.326 -0.716 3.956 1.00 0.00 C ATOM 512 O VAL A 31 -5.014 -1.687 4.645 1.00 0.00 O ATOM 513 CB VAL A 31 -3.924 0.388 2.186 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.675 0.185 3.040 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.562 0.401 0.710 1.00 0.00 C ATOM 0 H VAL A 31 -6.183 0.461 1.170 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.620 -1.664 2.168 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.348 1.354 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.947 0.962 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.943 0.240 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.243 -0.792 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.802 1.161 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.174 -0.576 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.450 0.627 0.120 1.00 0.00 H new ATOM 525 N VAL A 32 -5.968 0.340 4.452 1.00 0.00 N ATOM 526 CA VAL A 32 -6.333 0.395 5.865 1.00 0.00 C ATOM 527 C VAL A 32 -7.500 -0.538 6.178 1.00 0.00 C ATOM 528 O VAL A 32 -7.452 -1.308 7.136 1.00 0.00 O ATOM 529 CB VAL A 32 -6.693 1.822 6.310 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.033 1.836 7.792 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.548 2.777 6.009 1.00 0.00 C ATOM 0 H VAL A 32 -6.242 1.157 3.906 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.454 0.067 6.420 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.568 2.156 5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.287 2.851 8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.883 1.179 7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.174 1.488 8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.819 3.783 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.655 2.454 6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.349 2.780 4.937 1.00 0.00 H new ATOM 541 N ASP A 33 -8.553 -0.445 5.373 1.00 0.00 N ATOM 542 CA ASP A 33 -9.748 -1.260 5.567 1.00 0.00 C ATOM 543 C ASP A 33 -9.415 -2.742 5.725 1.00 0.00 C ATOM 544 O ASP A 33 -10.005 -3.427 6.559 1.00 0.00 O ATOM 545 CB ASP A 33 -10.715 -1.069 4.398 1.00 0.00 C ATOM 546 CG ASP A 33 -12.022 -1.811 4.601 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.313 -2.730 3.807 1.00 0.00 O ATOM 548 OD2 ASP A 33 -12.755 -1.472 5.554 1.00 0.00 O ATOM 0 H ASP A 33 -8.603 0.190 4.576 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.219 -0.926 6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.920 -0.006 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.243 -1.416 3.479 1.00 0.00 H new ATOM 553 N LEU A 34 -8.488 -3.242 4.912 1.00 0.00 N ATOM 554 CA LEU A 34 -8.123 -4.654 4.976 1.00 0.00 C ATOM 555 C LEU A 34 -7.055 -4.930 6.032 1.00 0.00 C ATOM 556 O LEU A 34 -7.067 -5.987 6.662 1.00 0.00 O ATOM 557 CB LEU A 34 -7.646 -5.148 3.610 1.00 0.00 C ATOM 558 CG LEU A 34 -8.744 -5.722 2.715 1.00 0.00 C ATOM 559 CD1 LEU A 34 -8.351 -5.616 1.251 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.033 -7.168 3.087 1.00 0.00 C ATOM 0 H LEU A 34 -7.983 -2.700 4.211 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.021 -5.200 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.167 -4.320 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.884 -5.913 3.762 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.652 -5.139 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.146 -6.030 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.195 -4.569 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.430 -6.173 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.817 -7.560 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.128 -7.763 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.361 -7.218 4.125 1.00 0.00 H new ATOM 572 N CYS A 35 -6.123 -3.997 6.224 1.00 0.00 N ATOM 573 CA CYS A 35 -5.064 -4.202 7.208 1.00 0.00 C ATOM 574 C CYS A 35 -5.384 -3.542 8.542 1.00 0.00 C ATOM 575 O CYS A 35 -4.489 -3.109 9.269 1.00 0.00 O ATOM 576 CB CYS A 35 -3.720 -3.707 6.677 1.00 0.00 C ATOM 577 SG CYS A 35 -2.722 -4.996 5.900 1.00 0.00 S ATOM 0 H CYS A 35 -6.080 -3.110 5.722 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.997 -5.276 7.382 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.897 -2.912 5.953 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.154 -3.269 7.499 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.475 -6.019 5.621 1.00 0.00 H new ATOM 583 N LYS A 36 -6.662 -3.497 8.865 1.00 0.00 N ATOM 584 CA LYS A 36 -7.118 -2.923 10.124 1.00 0.00 C ATOM 585 C LYS A 36 -7.458 -4.035 11.114 1.00 0.00 C ATOM 586 O LYS A 36 -7.545 -5.203 10.736 1.00 0.00 O ATOM 587 CB LYS A 36 -8.341 -2.034 9.894 1.00 0.00 C ATOM 588 CG LYS A 36 -8.046 -0.550 10.039 1.00 0.00 C ATOM 589 CD LYS A 36 -9.261 0.213 10.542 1.00 0.00 C ATOM 590 CE LYS A 36 -10.454 0.035 9.616 1.00 0.00 C ATOM 591 NZ LYS A 36 -10.721 1.261 8.814 1.00 0.00 N ATOM 0 H LYS A 36 -7.411 -3.853 8.271 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.316 -2.312 10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.735 -2.222 8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.121 -2.312 10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.215 -0.409 10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.733 -0.144 9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.521 -0.133 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.018 1.272 10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.271 -0.805 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.337 -0.213 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.094 0.991 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.418 1.854 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.837 1.795 8.692 1.00 0.00 H new ATOM 679 N CYS A 43 -4.379 6.793 11.365 1.00 0.00 N ATOM 680 CA CYS A 43 -3.441 5.753 10.956 1.00 0.00 C ATOM 681 C CYS A 43 -2.812 6.099 9.610 1.00 0.00 C ATOM 682 O CYS A 43 -3.255 7.025 8.932 1.00 0.00 O ATOM 683 CB CYS A 43 -4.150 4.400 10.871 1.00 0.00 C ATOM 684 SG CYS A 43 -5.750 4.456 10.032 1.00 0.00 S ATOM 0 HA CYS A 43 -2.651 5.690 11.704 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.503 3.695 10.349 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.294 4.014 11.880 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.592 4.916 8.827 1.00 0.00 H new ATOM 690 N HIS A 44 -1.779 5.354 9.227 1.00 0.00 N ATOM 691 CA HIS A 44 -1.099 5.596 7.960 1.00 0.00 C ATOM 692 C HIS A 44 -0.498 4.309 7.397 1.00 0.00 C ATOM 693 O HIS A 44 -0.247 3.352 8.132 1.00 0.00 O ATOM 694 CB HIS A 44 -0.015 6.671 8.134 1.00 0.00 C ATOM 695 CG HIS A 44 1.368 6.129 8.354 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.146 5.619 7.335 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.110 6.022 9.482 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.306 5.222 7.828 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.310 5.456 9.127 1.00 0.00 N ATOM 0 H HIS A 44 -1.397 4.582 9.773 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.837 5.956 7.244 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.006 7.307 7.249 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.282 7.305 8.979 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.869 5.558 6.355 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.813 6.325 10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.114 4.781 7.264 1.00 0.00 H new ATOM 708 N LEU A 45 -0.263 4.301 6.088 1.00 0.00 N ATOM 709 CA LEU A 45 0.315 3.147 5.418 1.00 0.00 C ATOM 710 C LEU A 45 1.776 3.432 5.087 1.00 0.00 C ATOM 711 O LEU A 45 2.146 4.577 4.851 1.00 0.00 O ATOM 712 CB LEU A 45 -0.502 2.826 4.158 1.00 0.00 C ATOM 713 CG LEU A 45 0.246 2.133 3.016 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.631 0.717 3.405 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.602 2.124 1.753 1.00 0.00 C ATOM 0 H LEU A 45 -0.466 5.087 5.470 1.00 0.00 H new ATOM 0 HA LEU A 45 0.283 2.274 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.342 2.195 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.920 3.757 3.776 1.00 0.00 H new ATOM 0 HG LEU A 45 1.160 2.693 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.161 0.244 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.277 0.744 4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.268 0.145 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.055 1.628 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.532 1.589 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.827 3.149 1.458 1.00 0.00 H new ATOM 727 N ALA A 46 2.611 2.401 5.095 1.00 0.00 N ATOM 728 CA ALA A 46 4.034 2.575 4.818 1.00 0.00 C ATOM 729 C ALA A 46 4.451 1.896 3.517 1.00 0.00 C ATOM 730 O ALA A 46 3.828 0.919 3.088 1.00 0.00 O ATOM 731 CB ALA A 46 4.864 2.046 5.977 1.00 0.00 C ATOM 0 H ALA A 46 2.331 1.440 5.289 1.00 0.00 H new ATOM 0 HA ALA A 46 4.216 3.643 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.923 2.182 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.609 2.591 6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.656 0.986 6.119 1.00 0.00 H new ATOM 737 N GLU A 47 5.515 2.417 2.898 1.00 0.00 N ATOM 738 CA GLU A 47 6.031 1.854 1.653 1.00 0.00 C ATOM 739 C GLU A 47 7.540 1.605 1.750 1.00 0.00 C ATOM 740 O GLU A 47 8.333 2.546 1.781 1.00 0.00 O ATOM 741 CB GLU A 47 5.747 2.804 0.491 1.00 0.00 C ATOM 742 CG GLU A 47 5.932 4.275 0.828 1.00 0.00 C ATOM 743 CD GLU A 47 5.107 5.182 -0.061 1.00 0.00 C ATOM 744 OE1 GLU A 47 4.810 6.319 0.361 1.00 0.00 O ATOM 745 OE2 GLU A 47 4.759 4.754 -1.181 1.00 0.00 O ATOM 0 H GLU A 47 6.033 3.226 3.240 1.00 0.00 H new ATOM 0 HA GLU A 47 5.529 0.902 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.403 2.548 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.724 2.647 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.656 4.443 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.986 4.537 0.731 1.00 0.00 H new ATOM 752 N VAL A 48 7.926 0.329 1.765 1.00 0.00 N ATOM 753 CA VAL A 48 9.335 -0.058 1.820 1.00 0.00 C ATOM 754 C VAL A 48 9.698 -0.974 0.661 1.00 0.00 C ATOM 755 O VAL A 48 9.059 -2.012 0.471 1.00 0.00 O ATOM 756 CB VAL A 48 9.713 -0.746 3.147 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.222 -0.939 3.233 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.203 0.060 4.333 1.00 0.00 C ATOM 0 H VAL A 48 7.278 -0.458 1.740 1.00 0.00 H new ATOM 0 HA VAL A 48 9.903 0.870 1.748 1.00 0.00 H new ATOM 0 HB VAL A 48 9.239 -1.727 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.473 -1.426 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.557 -1.561 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.716 0.031 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.480 -0.442 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.646 1.056 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.118 0.144 4.276 1.00 0.00 H new ATOM 768 N TRP A 49 10.718 -0.616 -0.107 1.00 0.00 N ATOM 769 CA TRP A 49 11.130 -1.461 -1.219 1.00 0.00 C ATOM 770 C TRP A 49 12.641 -1.421 -1.441 1.00 0.00 C ATOM 771 O TRP A 49 13.216 -0.361 -1.685 1.00 0.00 O ATOM 772 CB TRP A 49 10.357 -1.080 -2.483 1.00 0.00 C ATOM 773 CG TRP A 49 11.197 -0.645 -3.631 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.906 -1.424 -4.494 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.390 0.691 -4.036 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.538 -0.633 -5.422 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.235 0.681 -5.155 1.00 0.00 C ATOM 778 CE3 TRP A 49 10.919 1.892 -3.541 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.624 1.854 -5.795 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.298 3.063 -4.170 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.147 3.037 -5.289 1.00 0.00 C ATOM 0 H TRP A 49 11.266 0.236 0.015 1.00 0.00 H new ATOM 0 HA TRP A 49 10.888 -2.494 -0.968 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.758 -1.935 -2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.662 -0.277 -2.237 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.963 -2.502 -4.455 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.132 -0.965 -6.182 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.268 1.915 -2.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.276 1.834 -6.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 10.937 4.010 -3.797 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.430 3.967 -5.760 1.00 0.00 H new ATOM 792 N CYS A 50 13.273 -2.591 -1.369 1.00 0.00 N ATOM 793 CA CYS A 50 14.716 -2.712 -1.575 1.00 0.00 C ATOM 794 C CYS A 50 15.485 -1.608 -0.851 1.00 0.00 C ATOM 795 O CYS A 50 16.333 -0.938 -1.443 1.00 0.00 O ATOM 796 CB CYS A 50 15.036 -2.676 -3.071 1.00 0.00 C ATOM 797 SG CYS A 50 16.685 -3.293 -3.486 1.00 0.00 S ATOM 0 H CYS A 50 12.805 -3.475 -1.168 1.00 0.00 H new ATOM 0 HA CYS A 50 15.032 -3.668 -1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.293 -3.268 -3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.943 -1.650 -3.427 1.00 0.00 H new ATOM 0 HG CYS A 50 16.863 -3.225 -4.772 1.00 0.00 H new ATOM 803 N GLY A 51 15.191 -1.428 0.431 1.00 0.00 N ATOM 804 CA GLY A 51 15.872 -0.407 1.208 1.00 0.00 C ATOM 805 C GLY A 51 15.198 0.950 1.119 1.00 0.00 C ATOM 806 O GLY A 51 15.535 1.863 1.874 1.00 0.00 O ATOM 0 H GLY A 51 14.496 -1.968 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.913 -0.719 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.901 -0.319 0.861 1.00 0.00 H new ATOM 810 N SER A 52 14.243 1.089 0.203 1.00 0.00 N ATOM 811 CA SER A 52 13.529 2.348 0.038 1.00 0.00 C ATOM 812 C SER A 52 12.280 2.366 0.907 1.00 0.00 C ATOM 813 O SER A 52 11.234 1.858 0.510 1.00 0.00 O ATOM 814 CB SER A 52 13.143 2.560 -1.430 1.00 0.00 C ATOM 815 OG SER A 52 13.558 3.836 -1.887 1.00 0.00 O ATOM 0 H SER A 52 13.948 0.348 -0.433 1.00 0.00 H new ATOM 0 HA SER A 52 14.190 3.158 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.599 1.784 -2.045 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.063 2.463 -1.543 1.00 0.00 H new ATOM 0 HG SER A 52 13.050 4.077 -2.690 1.00 0.00 H new ATOM 821 N GLU A 53 12.399 2.951 2.093 1.00 0.00 N ATOM 822 CA GLU A 53 11.277 3.030 3.019 1.00 0.00 C ATOM 823 C GLU A 53 10.788 4.469 3.155 1.00 0.00 C ATOM 824 O GLU A 53 11.579 5.385 3.381 1.00 0.00 O ATOM 825 CB GLU A 53 11.685 2.484 4.390 1.00 0.00 C ATOM 826 CG GLU A 53 10.605 2.625 5.453 1.00 0.00 C ATOM 827 CD GLU A 53 11.001 3.578 6.565 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.486 3.421 7.691 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.827 4.479 6.308 1.00 0.00 O ATOM 0 H GLU A 53 13.260 3.377 2.435 1.00 0.00 H new ATOM 0 HA GLU A 53 10.462 2.424 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.946 1.431 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.582 3.004 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.686 2.979 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.390 1.645 5.879 1.00 0.00 H new ATOM 836 N ARG A 54 9.481 4.661 3.018 1.00 0.00 N ATOM 837 CA ARG A 54 8.890 5.990 3.128 1.00 0.00 C ATOM 838 C ARG A 54 7.489 5.916 3.731 1.00 0.00 C ATOM 839 O ARG A 54 6.803 4.902 3.604 1.00 0.00 O ATOM 840 CB ARG A 54 8.829 6.658 1.752 1.00 0.00 C ATOM 841 CG ARG A 54 10.169 7.198 1.279 1.00 0.00 C ATOM 842 CD ARG A 54 10.549 8.472 2.016 1.00 0.00 C ATOM 843 NE ARG A 54 11.537 8.223 3.063 1.00 0.00 N ATOM 844 CZ ARG A 54 11.770 9.057 4.074 1.00 0.00 C ATOM 845 NH1 ARG A 54 11.091 10.192 4.180 1.00 0.00 N ATOM 846 NH2 ARG A 54 12.686 8.752 4.984 1.00 0.00 N ATOM 0 H ARG A 54 8.811 3.915 2.831 1.00 0.00 H new ATOM 0 HA ARG A 54 9.519 6.586 3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.459 5.937 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.108 7.475 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.941 6.444 1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.125 7.396 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.948 9.197 1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.657 8.916 2.457 1.00 0.00 H new ATOM 0 HE ARG A 54 12.079 7.360 3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.385 10.431 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.275 10.826 4.958 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.210 7.880 4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.866 9.389 5.760 1.00 0.00 H new ATOM 860 N PRO A 55 7.043 6.996 4.395 1.00 0.00 N ATOM 861 CA PRO A 55 5.718 7.050 5.011 1.00 0.00 C ATOM 862 C PRO A 55 4.633 7.397 3.997 1.00 0.00 C ATOM 863 O PRO A 55 4.684 8.446 3.355 1.00 0.00 O ATOM 864 CB PRO A 55 5.871 8.168 6.037 1.00 0.00 C ATOM 865 CG PRO A 55 6.865 9.100 5.429 1.00 0.00 C ATOM 866 CD PRO A 55 7.794 8.250 4.595 1.00 0.00 C ATOM 0 HA PRO A 55 5.413 6.095 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.921 8.668 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.222 7.783 6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.368 9.850 4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.417 9.636 6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.030 8.730 3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.740 8.072 5.106 1.00 0.00 H new ATOM 874 N VAL A 56 3.652 6.510 3.852 1.00 0.00 N ATOM 875 CA VAL A 56 2.563 6.732 2.907 1.00 0.00 C ATOM 876 C VAL A 56 1.289 7.183 3.620 1.00 0.00 C ATOM 877 O VAL A 56 0.843 6.566 4.595 1.00 0.00 O ATOM 878 CB VAL A 56 2.251 5.480 2.030 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.193 4.309 2.330 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.787 5.057 2.181 1.00 0.00 C ATOM 0 H VAL A 56 3.589 5.636 4.374 1.00 0.00 H new ATOM 0 HA VAL A 56 2.908 7.525 2.243 1.00 0.00 H new ATOM 0 HB VAL A 56 2.422 5.768 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.935 3.462 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.222 4.610 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.093 4.021 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.595 4.182 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.585 4.813 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.138 5.874 1.867 1.00 0.00 H new ATOM 890 N ALA A 57 0.698 8.251 3.104 1.00 0.00 N ATOM 891 CA ALA A 57 -0.534 8.789 3.655 1.00 0.00 C ATOM 892 C ALA A 57 -1.723 7.962 3.196 1.00 0.00 C ATOM 893 O ALA A 57 -1.702 7.384 2.108 1.00 0.00 O ATOM 894 CB ALA A 57 -0.702 10.231 3.222 1.00 0.00 C ATOM 0 H ALA A 57 1.056 8.764 2.299 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.483 8.747 4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.627 10.630 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.141 10.820 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.741 10.282 2.134 1.00 0.00 H new ATOM 900 N ASP A 58 -2.759 7.897 4.020 1.00 0.00 N ATOM 901 CA ASP A 58 -3.936 7.120 3.667 1.00 0.00 C ATOM 902 C ASP A 58 -4.660 7.709 2.464 1.00 0.00 C ATOM 903 O ASP A 58 -5.544 7.072 1.897 1.00 0.00 O ATOM 904 CB ASP A 58 -4.909 7.010 4.837 1.00 0.00 C ATOM 905 CG ASP A 58 -4.211 6.721 6.152 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.296 7.490 6.517 1.00 0.00 O ATOM 907 OD2 ASP A 58 -4.579 5.728 6.814 1.00 0.00 O ATOM 0 H ASP A 58 -2.808 8.366 4.925 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.579 6.123 3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.472 7.939 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.630 6.219 4.632 1.00 0.00 H new ATOM 912 N ASN A 59 -4.300 8.926 2.082 1.00 0.00 N ATOM 913 CA ASN A 59 -4.947 9.574 0.951 1.00 0.00 C ATOM 914 C ASN A 59 -4.130 9.428 -0.334 1.00 0.00 C ATOM 915 O ASN A 59 -4.415 10.091 -1.331 1.00 0.00 O ATOM 916 CB ASN A 59 -5.186 11.054 1.254 1.00 0.00 C ATOM 917 CG ASN A 59 -6.621 11.339 1.651 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.524 10.556 1.360 1.00 0.00 O ATOM 919 ND2 ASN A 59 -6.837 12.465 2.321 1.00 0.00 N ATOM 0 H ASN A 59 -3.571 9.479 2.533 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.904 9.077 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.520 11.370 2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.930 11.648 0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.782 12.710 2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.058 13.085 2.541 1.00 0.00 H new ATOM 926 N GLU A 60 -3.117 8.562 -0.314 1.00 0.00 N ATOM 927 CA GLU A 60 -2.278 8.351 -1.489 1.00 0.00 C ATOM 928 C GLU A 60 -2.859 7.259 -2.388 1.00 0.00 C ATOM 929 O GLU A 60 -2.908 6.090 -2.008 1.00 0.00 O ATOM 930 CB GLU A 60 -0.860 7.979 -1.061 1.00 0.00 C ATOM 931 CG GLU A 60 -0.223 8.989 -0.121 1.00 0.00 C ATOM 932 CD GLU A 60 1.243 9.227 -0.427 1.00 0.00 C ATOM 933 OE1 GLU A 60 1.905 8.292 -0.924 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.729 10.348 -0.169 1.00 0.00 O ATOM 0 H GLU A 60 -2.860 8.000 0.497 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.248 9.280 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.881 7.004 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.236 7.878 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.763 9.934 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.324 8.638 0.906 1.00 0.00 H new ATOM 941 N ARG A 61 -3.306 7.655 -3.579 1.00 0.00 N ATOM 942 CA ARG A 61 -3.895 6.708 -4.530 1.00 0.00 C ATOM 943 C ARG A 61 -2.879 5.661 -4.974 1.00 0.00 C ATOM 944 O ARG A 61 -1.749 5.988 -5.341 1.00 0.00 O ATOM 945 CB ARG A 61 -4.489 7.426 -5.754 1.00 0.00 C ATOM 946 CG ARG A 61 -3.776 8.713 -6.153 1.00 0.00 C ATOM 947 CD ARG A 61 -4.699 9.918 -6.050 1.00 0.00 C ATOM 948 NE ARG A 61 -4.678 10.515 -4.717 1.00 0.00 N ATOM 949 CZ ARG A 61 -3.772 11.404 -4.314 1.00 0.00 C ATOM 950 NH1 ARG A 61 -2.806 11.799 -5.134 1.00 0.00 N ATOM 951 NH2 ARG A 61 -3.831 11.900 -3.085 1.00 0.00 N ATOM 0 H ARG A 61 -3.273 8.620 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.707 6.201 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.473 6.741 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.535 7.656 -5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.908 8.863 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.406 8.623 -7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.402 10.665 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.717 9.616 -6.295 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.401 10.234 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.754 11.421 -6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.116 12.480 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.570 11.600 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.137 12.581 -2.776 1.00 0.00 H new ATOM 965 N MET A 62 -3.314 4.397 -4.939 1.00 0.00 N ATOM 966 CA MET A 62 -2.485 3.247 -5.323 1.00 0.00 C ATOM 967 C MET A 62 -1.421 3.641 -6.336 1.00 0.00 C ATOM 968 O MET A 62 -0.249 3.806 -5.996 1.00 0.00 O ATOM 969 CB MET A 62 -3.371 2.136 -5.893 1.00 0.00 C ATOM 970 CG MET A 62 -3.855 1.146 -4.843 1.00 0.00 C ATOM 971 SD MET A 62 -4.562 1.953 -3.390 1.00 0.00 S ATOM 972 CE MET A 62 -5.301 0.560 -2.542 1.00 0.00 C ATOM 0 H MET A 62 -4.256 4.141 -4.642 1.00 0.00 H new ATOM 0 HA MET A 62 -1.975 2.884 -4.431 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.235 2.586 -6.382 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.815 1.597 -6.660 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.603 0.489 -5.287 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.021 0.516 -4.533 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.387 0.636 -2.596 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.978 -0.367 -3.015 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.989 0.562 -1.498 1.00 0.00 H new ATOM 982 N PHE A 63 -1.848 3.801 -7.577 1.00 0.00 N ATOM 983 CA PHE A 63 -0.952 4.188 -8.662 1.00 0.00 C ATOM 984 C PHE A 63 -0.006 5.305 -8.256 1.00 0.00 C ATOM 985 O PHE A 63 1.201 5.213 -8.473 1.00 0.00 O ATOM 986 CB PHE A 63 -1.768 4.662 -9.852 1.00 0.00 C ATOM 987 CG PHE A 63 -2.164 3.566 -10.774 1.00 0.00 C ATOM 988 CD1 PHE A 63 -3.243 2.759 -10.476 1.00 0.00 C ATOM 989 CD2 PHE A 63 -1.457 3.346 -11.936 1.00 0.00 C ATOM 990 CE1 PHE A 63 -3.618 1.743 -11.325 1.00 0.00 C ATOM 991 CE2 PHE A 63 -1.821 2.330 -12.798 1.00 0.00 C ATOM 992 CZ PHE A 63 -2.905 1.525 -12.493 1.00 0.00 C ATOM 0 H PHE A 63 -2.818 3.668 -7.863 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.359 3.310 -8.917 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.665 5.164 -9.490 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.191 5.402 -10.407 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.800 2.927 -9.566 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.611 3.973 -12.175 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.465 1.118 -11.082 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.262 2.164 -13.707 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.194 0.729 -13.163 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.554 6.368 -7.680 1.00 0.00 N ATOM 1003 CA ASP A 64 0.265 7.496 -7.279 1.00 0.00 C ATOM 1004 C ASP A 64 1.372 7.032 -6.350 1.00 0.00 C ATOM 1005 O ASP A 64 2.524 7.444 -6.476 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.580 8.572 -6.600 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.183 9.547 -7.592 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -0.952 9.378 -8.809 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -1.886 10.481 -7.155 1.00 0.00 O ATOM 0 H ASP A 64 -1.550 6.469 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 64 0.711 7.931 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.379 8.097 -6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.038 9.119 -5.887 1.00 0.00 H new ATOM 1014 N VAL A 65 1.013 6.139 -5.440 1.00 0.00 N ATOM 1015 CA VAL A 65 1.974 5.576 -4.512 1.00 0.00 C ATOM 1016 C VAL A 65 2.866 4.591 -5.253 1.00 0.00 C ATOM 1017 O VAL A 65 4.009 4.358 -4.875 1.00 0.00 O ATOM 1018 CB VAL A 65 1.277 4.843 -3.347 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.258 4.578 -2.218 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.075 5.636 -2.846 1.00 0.00 C ATOM 0 H VAL A 65 0.061 5.790 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 65 2.563 6.394 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 65 0.916 3.884 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.747 4.060 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.076 3.959 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.655 5.525 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.399 5.098 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.405 6.614 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.641 5.763 -3.658 1.00 0.00 H new ATOM 1030 N LEU A 66 2.314 4.020 -6.321 1.00 0.00 N ATOM 1031 CA LEU A 66 3.019 3.050 -7.142 1.00 0.00 C ATOM 1032 C LEU A 66 3.979 3.727 -8.122 1.00 0.00 C ATOM 1033 O LEU A 66 4.812 3.065 -8.741 1.00 0.00 O ATOM 1034 CB LEU A 66 1.999 2.199 -7.900 1.00 0.00 C ATOM 1035 CG LEU A 66 2.015 0.717 -7.540 1.00 0.00 C ATOM 1036 CD1 LEU A 66 1.217 0.473 -6.270 1.00 0.00 C ATOM 1037 CD2 LEU A 66 1.474 -0.120 -8.689 1.00 0.00 C ATOM 0 H LEU A 66 1.365 4.219 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 66 3.619 2.417 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.002 2.595 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.183 2.302 -8.969 1.00 0.00 H new ATOM 0 HG LEU A 66 3.047 0.415 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.238 -0.589 -6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.655 1.042 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.185 0.790 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.494 -1.174 -8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.448 0.179 -8.906 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.091 0.034 -9.574 1.00 0.00 H new ATOM 1049 N GLN A 67 3.855 5.043 -8.268 1.00 0.00 N ATOM 1050 CA GLN A 67 4.710 5.793 -9.181 1.00 0.00 C ATOM 1051 C GLN A 67 5.968 6.302 -8.482 1.00 0.00 C ATOM 1052 O GLN A 67 6.980 6.571 -9.130 1.00 0.00 O ATOM 1053 CB GLN A 67 3.939 6.970 -9.780 1.00 0.00 C ATOM 1054 CG GLN A 67 4.746 7.782 -10.780 1.00 0.00 C ATOM 1055 CD GLN A 67 5.147 9.141 -10.242 1.00 0.00 C ATOM 1056 OE1 GLN A 67 4.297 9.940 -9.847 1.00 0.00 O ATOM 1057 NE2 GLN A 67 6.446 9.411 -10.224 1.00 0.00 N ATOM 0 H GLN A 67 3.172 5.611 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 67 5.017 5.115 -9.978 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.042 6.593 -10.271 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.610 7.626 -8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.642 7.226 -11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.161 7.914 -11.690 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.115 8.719 -10.561 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.775 10.310 -9.873 1.00 0.00 H new ATOM 1066 N ARG A 68 5.902 6.441 -7.162 1.00 0.00 N ATOM 1067 CA ARG A 68 7.041 6.926 -6.393 1.00 0.00 C ATOM 1068 C ARG A 68 8.129 5.861 -6.270 1.00 0.00 C ATOM 1069 O ARG A 68 9.286 6.178 -5.993 1.00 0.00 O ATOM 1070 CB ARG A 68 6.591 7.383 -5.004 1.00 0.00 C ATOM 1071 CG ARG A 68 6.138 6.248 -4.099 1.00 0.00 C ATOM 1072 CD ARG A 68 6.553 6.489 -2.656 1.00 0.00 C ATOM 1073 NE ARG A 68 7.395 5.411 -2.140 1.00 0.00 N ATOM 1074 CZ ARG A 68 8.715 5.355 -2.306 1.00 0.00 C ATOM 1075 NH1 ARG A 68 9.349 6.303 -2.986 1.00 0.00 N ATOM 1076 NH2 ARG A 68 9.404 4.343 -1.794 1.00 0.00 N ATOM 0 H ARG A 68 5.075 6.226 -6.605 1.00 0.00 H new ATOM 0 HA ARG A 68 7.463 7.776 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.413 7.913 -4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.773 8.096 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.054 6.146 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.565 5.308 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.092 7.434 -2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.663 6.583 -2.034 1.00 0.00 H new ATOM 0 HE ARG A 68 6.944 4.657 -1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.825 7.081 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.360 6.253 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.922 3.609 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.415 4.299 -1.920 1.00 0.00 H new ATOM 1090 N PHE A 69 7.760 4.600 -6.480 1.00 0.00 N ATOM 1091 CA PHE A 69 8.720 3.501 -6.393 1.00 0.00 C ATOM 1092 C PHE A 69 9.547 3.390 -7.675 1.00 0.00 C ATOM 1093 O PHE A 69 9.653 2.312 -8.260 1.00 0.00 O ATOM 1094 CB PHE A 69 8.003 2.172 -6.143 1.00 0.00 C ATOM 1095 CG PHE A 69 7.204 2.121 -4.871 1.00 0.00 C ATOM 1096 CD1 PHE A 69 5.838 2.335 -4.892 1.00 0.00 C ATOM 1097 CD2 PHE A 69 7.814 1.832 -3.661 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.094 2.266 -3.732 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.079 1.764 -2.492 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.714 1.982 -2.531 1.00 0.00 C ATOM 0 H PHE A 69 6.808 4.314 -6.710 1.00 0.00 H new ATOM 0 HA PHE A 69 9.385 3.716 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.338 1.970 -6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.744 1.373 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.347 2.559 -5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.879 1.657 -3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.028 2.434 -3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.568 1.542 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.133 1.930 -1.622 1.00 0.00 H new ATOM 1110 N GLY A 70 10.130 4.505 -8.110 1.00 0.00 N ATOM 1111 CA GLY A 70 10.933 4.494 -9.321 1.00 0.00 C ATOM 1112 C GLY A 70 10.212 3.858 -10.495 1.00 0.00 C ATOM 1113 O GLY A 70 9.475 4.529 -11.217 1.00 0.00 O ATOM 0 H GLY A 70 10.061 5.412 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.208 5.517 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.860 3.953 -9.133 1.00 0.00 H new ATOM 1117 N SER A 71 10.424 2.559 -10.682 1.00 0.00 N ATOM 1118 CA SER A 71 9.788 1.828 -11.773 1.00 0.00 C ATOM 1119 C SER A 71 9.295 0.462 -11.303 1.00 0.00 C ATOM 1120 O SER A 71 8.198 0.031 -11.659 1.00 0.00 O ATOM 1121 CB SER A 71 10.763 1.657 -12.939 1.00 0.00 C ATOM 1122 OG SER A 71 12.103 1.600 -12.480 1.00 0.00 O ATOM 0 H SER A 71 11.032 1.991 -10.092 1.00 0.00 H new ATOM 0 HA SER A 71 8.928 2.408 -12.109 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.524 0.745 -13.486 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.649 2.487 -13.637 1.00 0.00 H new ATOM 0 HG SER A 71 12.706 1.489 -13.244 1.00 0.00 H new ATOM 1128 N GLN A 72 10.112 -0.214 -10.503 1.00 0.00 N ATOM 1129 CA GLN A 72 9.760 -1.531 -9.985 1.00 0.00 C ATOM 1130 C GLN A 72 8.565 -1.445 -9.037 1.00 0.00 C ATOM 1131 O GLN A 72 8.728 -1.254 -7.833 1.00 0.00 O ATOM 1132 CB GLN A 72 10.959 -2.152 -9.264 1.00 0.00 C ATOM 1133 CG GLN A 72 11.526 -3.373 -9.970 1.00 0.00 C ATOM 1134 CD GLN A 72 13.010 -3.556 -9.719 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.845 -3.088 -10.493 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.346 -4.238 -8.631 1.00 0.00 N ATOM 0 H GLN A 72 11.023 0.129 -10.199 1.00 0.00 H new ATOM 0 HA GLN A 72 9.483 -2.165 -10.827 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.743 -1.401 -9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.660 -2.432 -8.254 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.992 -4.262 -9.635 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.351 -3.282 -11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.621 -4.608 -8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.330 -4.392 -8.409 1.00 0.00 H new ATOM 1145 N ARG A 73 7.365 -1.585 -9.591 1.00 0.00 N ATOM 1146 CA ARG A 73 6.142 -1.522 -8.796 1.00 0.00 C ATOM 1147 C ARG A 73 5.920 -2.818 -8.018 1.00 0.00 C ATOM 1148 O ARG A 73 5.241 -2.824 -6.991 1.00 0.00 O ATOM 1149 CB ARG A 73 4.936 -1.246 -9.695 1.00 0.00 C ATOM 1150 CG ARG A 73 5.149 -0.096 -10.668 1.00 0.00 C ATOM 1151 CD ARG A 73 4.693 -0.461 -12.072 1.00 0.00 C ATOM 1152 NE ARG A 73 4.099 0.677 -12.768 1.00 0.00 N ATOM 1153 CZ ARG A 73 4.808 1.633 -13.367 1.00 0.00 C ATOM 1154 NH1 ARG A 73 6.134 1.592 -13.354 1.00 0.00 N ATOM 1155 NH2 ARG A 73 4.187 2.632 -13.980 1.00 0.00 N ATOM 0 H ARG A 73 7.212 -1.743 -10.587 1.00 0.00 H new ATOM 0 HA ARG A 73 6.252 -0.706 -8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.700 -2.148 -10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.071 -1.026 -9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.600 0.780 -10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.204 0.175 -10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.543 -0.832 -12.644 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.967 -1.272 -12.018 1.00 0.00 H new ATOM 0 HE ARG A 73 3.082 0.744 -12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.616 0.826 -12.884 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.671 2.327 -13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.168 2.668 -13.993 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.729 3.364 -14.439 1.00 0.00 H new ATOM 1169 N ASN A 74 6.491 -3.915 -8.511 1.00 0.00 N ATOM 1170 CA ASN A 74 6.345 -5.212 -7.857 1.00 0.00 C ATOM 1171 C ASN A 74 7.531 -5.506 -6.940 1.00 0.00 C ATOM 1172 O ASN A 74 7.884 -6.664 -6.719 1.00 0.00 O ATOM 1173 CB ASN A 74 6.208 -6.319 -8.903 1.00 0.00 C ATOM 1174 CG ASN A 74 4.824 -6.363 -9.520 1.00 0.00 C ATOM 1175 OD1 ASN A 74 4.675 -6.320 -10.742 1.00 0.00 O ATOM 1176 ND2 ASN A 74 3.802 -6.448 -8.676 1.00 0.00 N ATOM 0 H ASN A 74 7.058 -3.931 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 74 5.442 -5.180 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.948 -6.167 -9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.427 -7.281 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.847 -6.480 -9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.972 -6.481 -7.671 1.00 0.00 H new ATOM 1183 N GLU A 75 8.138 -4.451 -6.408 1.00 0.00 N ATOM 1184 CA GLU A 75 9.284 -4.591 -5.513 1.00 0.00 C ATOM 1185 C GLU A 75 9.034 -3.897 -4.175 1.00 0.00 C ATOM 1186 O GLU A 75 9.869 -3.957 -3.273 1.00 0.00 O ATOM 1187 CB GLU A 75 10.529 -3.985 -6.161 1.00 0.00 C ATOM 1188 CG GLU A 75 11.829 -4.618 -5.694 1.00 0.00 C ATOM 1189 CD GLU A 75 11.975 -6.055 -6.156 1.00 0.00 C ATOM 1190 OE1 GLU A 75 11.758 -6.968 -5.331 1.00 0.00 O ATOM 1191 OE2 GLU A 75 12.307 -6.267 -7.340 1.00 0.00 O ATOM 0 H GLU A 75 7.856 -3.486 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 75 9.434 -5.655 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.452 -4.090 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.557 -2.917 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.669 -4.033 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.876 -4.583 -4.606 1.00 0.00 H new ATOM 1198 N VAL A 76 7.893 -3.224 -4.063 1.00 0.00 N ATOM 1199 CA VAL A 76 7.544 -2.492 -2.848 1.00 0.00 C ATOM 1200 C VAL A 76 6.679 -3.320 -1.908 1.00 0.00 C ATOM 1201 O VAL A 76 6.065 -4.310 -2.304 1.00 0.00 O ATOM 1202 CB VAL A 76 6.816 -1.162 -3.175 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.448 -1.085 -4.650 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.581 -0.950 -2.293 1.00 0.00 C ATOM 0 H VAL A 76 7.191 -3.170 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 76 8.486 -2.271 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 76 7.514 -0.355 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.939 -0.142 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.353 -1.144 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.788 -1.914 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.103 -0.007 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.878 -1.769 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.882 -0.924 -1.246 1.00 0.00 H new ATOM 1214 N ARG A 77 6.615 -2.865 -0.665 1.00 0.00 N ATOM 1215 CA ARG A 77 5.805 -3.503 0.355 1.00 0.00 C ATOM 1216 C ARG A 77 4.933 -2.454 1.033 1.00 0.00 C ATOM 1217 O ARG A 77 5.387 -1.346 1.307 1.00 0.00 O ATOM 1218 CB ARG A 77 6.691 -4.208 1.382 1.00 0.00 C ATOM 1219 CG ARG A 77 7.323 -5.490 0.863 1.00 0.00 C ATOM 1220 CD ARG A 77 8.525 -5.901 1.700 1.00 0.00 C ATOM 1221 NE ARG A 77 9.750 -5.962 0.908 1.00 0.00 N ATOM 1222 CZ ARG A 77 10.971 -6.042 1.433 1.00 0.00 C ATOM 1223 NH1 ARG A 77 11.134 -6.070 2.750 1.00 0.00 N ATOM 1224 NH2 ARG A 77 12.032 -6.094 0.639 1.00 0.00 N ATOM 0 H ARG A 77 7.124 -2.044 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 77 5.168 -4.255 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.480 -3.526 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.096 -4.438 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.583 -6.290 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.631 -5.351 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.657 -5.192 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.336 -6.875 2.151 1.00 0.00 H new ATOM 0 HE ARG A 77 9.665 -5.942 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.322 -6.030 3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.072 -6.131 3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.913 -6.073 -0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.967 -6.155 1.041 1.00 0.00 H new ATOM 1238 N PHE A 78 3.683 -2.810 1.296 1.00 0.00 N ATOM 1239 CA PHE A 78 2.752 -1.911 1.955 1.00 0.00 C ATOM 1240 C PHE A 78 2.515 -2.434 3.361 1.00 0.00 C ATOM 1241 O PHE A 78 2.436 -3.641 3.561 1.00 0.00 O ATOM 1242 CB PHE A 78 1.452 -1.818 1.158 1.00 0.00 C ATOM 1243 CG PHE A 78 1.634 -1.160 -0.182 1.00 0.00 C ATOM 1244 CD1 PHE A 78 1.003 0.038 -0.474 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.446 -1.736 -1.145 1.00 0.00 C ATOM 1246 CE1 PHE A 78 1.177 0.648 -1.701 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.622 -1.131 -2.375 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.987 0.064 -2.654 1.00 0.00 C ATOM 0 H PHE A 78 3.291 -3.722 1.060 1.00 0.00 H new ATOM 0 HA PHE A 78 3.161 -0.902 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.048 -2.820 1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.717 -1.258 1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.367 0.501 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.947 -2.669 -0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.679 1.582 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.256 -1.592 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.124 0.539 -3.614 1.00 0.00 H new ATOM 1258 N PHE A 79 2.477 -1.546 4.344 1.00 0.00 N ATOM 1259 CA PHE A 79 2.322 -1.980 5.734 1.00 0.00 C ATOM 1260 C PHE A 79 1.431 -1.030 6.527 1.00 0.00 C ATOM 1261 O PHE A 79 1.493 0.186 6.352 1.00 0.00 O ATOM 1262 CB PHE A 79 3.709 -2.099 6.383 1.00 0.00 C ATOM 1263 CG PHE A 79 4.821 -2.050 5.370 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.009 -0.911 4.612 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.642 -3.142 5.145 1.00 0.00 C ATOM 1266 CE1 PHE A 79 5.993 -0.848 3.649 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.635 -3.089 4.188 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.810 -1.942 3.441 1.00 0.00 C ATOM 0 H PHE A 79 2.550 -0.537 4.214 1.00 0.00 H new ATOM 0 HA PHE A 79 1.831 -2.953 5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.841 -1.291 7.103 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.768 -3.035 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.373 -0.054 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.504 -4.043 5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.124 0.049 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.274 -3.944 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.587 -1.900 2.692 1.00 0.00 H new ATOM 1278 N LEU A 80 0.598 -1.595 7.398 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.309 -0.786 8.206 1.00 0.00 C ATOM 1280 C LEU A 80 0.318 -0.432 9.552 1.00 0.00 C ATOM 1281 O LEU A 80 0.648 -1.311 10.347 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.627 -1.533 8.423 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.881 -0.800 7.941 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.205 0.366 8.862 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.703 -0.319 6.508 1.00 0.00 C ATOM 0 H LEU A 80 0.533 -2.600 7.561 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.505 0.142 7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.569 -2.494 7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.735 -1.743 9.487 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.718 -1.498 7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.100 0.875 8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.379 -0.005 9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.369 1.065 8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.605 0.200 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.854 0.363 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.522 -1.174 5.857 1.00 0.00 H new ATOM 1297 N ARG A 81 0.476 0.866 9.797 1.00 0.00 N ATOM 1298 CA ARG A 81 1.060 1.345 11.045 1.00 0.00 C ATOM 1299 C ARG A 81 0.162 2.389 11.700 1.00 0.00 C ATOM 1300 O ARG A 81 -0.404 3.248 11.024 1.00 0.00 O ATOM 1301 CB ARG A 81 2.446 1.939 10.786 1.00 0.00 C ATOM 1302 CG ARG A 81 3.424 0.953 10.165 1.00 0.00 C ATOM 1303 CD ARG A 81 4.399 0.405 11.195 1.00 0.00 C ATOM 1304 NE ARG A 81 5.785 0.498 10.740 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.418 1.649 10.526 1.00 0.00 C ATOM 1306 NH1 ARG A 81 5.795 2.804 10.724 1.00 0.00 N ATOM 1307 NH2 ARG A 81 7.679 1.646 10.115 1.00 0.00 N ATOM 0 H ARG A 81 0.207 1.605 9.147 1.00 0.00 H new ATOM 0 HA ARG A 81 1.155 0.497 11.723 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.345 2.802 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.858 2.303 11.727 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.872 0.129 9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.978 1.444 9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.286 0.955 12.129 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.156 -0.636 11.407 1.00 0.00 H new ATOM 0 HE ARG A 81 6.297 -0.369 10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.826 2.813 11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.285 3.683 10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.164 0.762 9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.164 2.528 9.951 1.00 0.00 H new