USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 ASN : amide:sc= 0.027 X(o=0.027,f=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 1.03 K(o=1,f=-5.8!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 157:sc= -0.172 (180deg=-0.814) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -62:sc= 0.935 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -128:sc= -1.07 (180deg=-2.72!) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0.997 (180deg=0.46) USER MOD Single : A 35 CYS SG : rot -67:sc= 1.26 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 43 SER OG : rot 180:sc= -3.01! USER MOD Single : A 44 TYR OH : rot 180:sc= -0.307 USER MOD Single : A 45 ASN : amide:sc= -0.0151 K(o=-0.015,f=-0.65) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 53 SER OG : rot 110:sc= 0.487 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -71:sc= -1.68! USER MOD ----------------------------------------------------------------- ATOM 38 N ASN A 4 -11.514 1.432 2.868 1.00 0.00 N ATOM 39 CA ASN A 4 -11.092 2.645 2.169 1.00 0.00 C ATOM 40 C ASN A 4 -10.166 3.472 3.061 1.00 0.00 C ATOM 41 O ASN A 4 -10.115 4.699 2.957 1.00 0.00 O ATOM 42 CB ASN A 4 -12.313 3.487 1.751 1.00 0.00 C ATOM 43 CG ASN A 4 -13.185 3.906 2.927 1.00 0.00 C ATOM 44 OD1 ASN A 4 -14.102 3.186 3.328 1.00 0.00 O ATOM 45 ND2 ASN A 4 -12.917 5.081 3.480 1.00 0.00 N ATOM 0 HA ASN A 4 -10.551 2.352 1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.969 4.378 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.916 2.915 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.478 5.416 4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.150 5.650 3.122 1.00 0.00 H new ATOM 52 N MET A 5 -9.405 2.778 3.901 1.00 0.00 N ATOM 53 CA MET A 5 -8.573 3.422 4.915 1.00 0.00 C ATOM 54 C MET A 5 -7.364 4.113 4.289 1.00 0.00 C ATOM 55 O MET A 5 -6.545 3.470 3.636 1.00 0.00 O ATOM 56 CB MET A 5 -8.089 2.383 5.929 1.00 0.00 C ATOM 57 CG MET A 5 -7.320 2.976 7.098 1.00 0.00 C ATOM 58 SD MET A 5 -8.333 4.069 8.113 1.00 0.00 S ATOM 59 CE MET A 5 -7.120 4.638 9.301 1.00 0.00 C ATOM 0 H MET A 5 -9.346 1.760 3.900 1.00 0.00 H new ATOM 0 HA MET A 5 -9.182 4.176 5.414 1.00 0.00 H new ATOM 0 HB2 MET A 5 -8.950 1.836 6.313 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.454 1.660 5.418 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.930 2.169 7.718 1.00 0.00 H new ATOM 0 HG3 MET A 5 -6.461 3.531 6.719 1.00 0.00 H new ATOM 0 HE1 MET A 5 -7.592 5.326 10.002 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.716 3.785 9.846 1.00 0.00 H new ATOM 0 HE3 MET A 5 -6.312 5.150 8.779 1.00 0.00 H new ATOM 69 N PRO A 6 -7.237 5.429 4.480 1.00 0.00 N ATOM 70 CA PRO A 6 -6.073 6.175 4.006 1.00 0.00 C ATOM 71 C PRO A 6 -4.819 5.849 4.816 1.00 0.00 C ATOM 72 O PRO A 6 -4.840 5.869 6.048 1.00 0.00 O ATOM 73 CB PRO A 6 -6.476 7.636 4.205 1.00 0.00 C ATOM 74 CG PRO A 6 -7.501 7.612 5.287 1.00 0.00 C ATOM 75 CD PRO A 6 -8.216 6.295 5.163 1.00 0.00 C ATOM 0 HA PRO A 6 -5.822 5.932 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.618 8.247 4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.882 8.062 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.034 7.710 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.197 8.444 5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.492 5.896 6.139 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.136 6.392 4.587 1.00 0.00 H new ATOM 83 N ALA A 7 -3.730 5.549 4.123 1.00 0.00 N ATOM 84 CA ALA A 7 -2.479 5.196 4.780 1.00 0.00 C ATOM 85 C ALA A 7 -1.306 5.893 4.107 1.00 0.00 C ATOM 86 O ALA A 7 -1.212 5.926 2.884 1.00 0.00 O ATOM 87 CB ALA A 7 -2.279 3.689 4.773 1.00 0.00 C ATOM 0 H ALA A 7 -3.687 5.543 3.104 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.529 5.531 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.339 3.444 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.103 3.210 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.251 3.330 3.744 1.00 0.00 H new ATOM 93 N TYR A 8 -0.421 6.444 4.913 1.00 0.00 N ATOM 94 CA TYR A 8 0.721 7.191 4.415 1.00 0.00 C ATOM 95 C TYR A 8 1.919 6.264 4.237 1.00 0.00 C ATOM 96 O TYR A 8 2.281 5.532 5.150 1.00 0.00 O ATOM 97 CB TYR A 8 1.054 8.320 5.391 1.00 0.00 C ATOM 98 CG TYR A 8 -0.137 9.192 5.716 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.935 9.724 4.708 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.465 9.487 7.035 1.00 0.00 C ATOM 101 CE1 TYR A 8 -2.023 10.522 5.006 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.552 10.285 7.339 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.327 10.800 6.321 1.00 0.00 C ATOM 104 OH TYR A 8 -3.417 11.592 6.616 1.00 0.00 O ATOM 0 H TYR A 8 -0.471 6.388 5.930 1.00 0.00 H new ATOM 0 HA TYR A 8 0.477 7.622 3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.446 7.891 6.313 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.845 8.938 4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.700 9.510 3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.140 9.086 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.633 10.926 4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.793 10.504 8.369 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.496 11.692 7.588 1.00 0.00 H new ATOM 114 N VAL A 9 2.526 6.297 3.061 1.00 0.00 N ATOM 115 CA VAL A 9 3.608 5.373 2.726 1.00 0.00 C ATOM 116 C VAL A 9 4.851 5.603 3.588 1.00 0.00 C ATOM 117 O VAL A 9 5.311 6.736 3.755 1.00 0.00 O ATOM 118 CB VAL A 9 3.993 5.478 1.237 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.176 4.580 0.922 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.808 5.122 0.351 1.00 0.00 C ATOM 0 H VAL A 9 2.290 6.954 2.318 1.00 0.00 H new ATOM 0 HA VAL A 9 3.229 4.372 2.930 1.00 0.00 H new ATOM 0 HB VAL A 9 4.281 6.509 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.430 4.670 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.031 4.879 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.917 3.545 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.100 5.202 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.490 4.101 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.985 5.808 0.552 1.00 0.00 H new ATOM 130 N LYS A 10 5.388 4.510 4.125 1.00 0.00 N ATOM 131 CA LYS A 10 6.597 4.551 4.945 1.00 0.00 C ATOM 132 C LYS A 10 7.831 4.778 4.079 1.00 0.00 C ATOM 133 O LYS A 10 8.563 5.746 4.265 1.00 0.00 O ATOM 134 CB LYS A 10 6.781 3.239 5.714 1.00 0.00 C ATOM 135 CG LYS A 10 5.727 2.963 6.770 1.00 0.00 C ATOM 136 CD LYS A 10 6.283 3.124 8.175 1.00 0.00 C ATOM 137 CE LYS A 10 5.308 2.593 9.212 1.00 0.00 C ATOM 138 NZ LYS A 10 5.777 2.832 10.602 1.00 0.00 N ATOM 0 H LYS A 10 5.000 3.575 4.005 1.00 0.00 H new ATOM 0 HA LYS A 10 6.482 5.376 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.784 2.415 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.760 3.250 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.886 3.643 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.343 1.951 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.231 2.593 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.489 4.177 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.337 3.068 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.164 1.524 9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.080 2.453 11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.691 2.357 10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.889 3.854 10.760 1.00 0.00 H new ATOM 152 N PHE A 11 8.051 3.869 3.134 1.00 0.00 N ATOM 153 CA PHE A 11 9.254 3.894 2.309 1.00 0.00 C ATOM 154 C PHE A 11 8.906 3.614 0.853 1.00 0.00 C ATOM 155 O PHE A 11 7.818 3.125 0.551 1.00 0.00 O ATOM 156 CB PHE A 11 10.273 2.858 2.801 1.00 0.00 C ATOM 157 CG PHE A 11 10.749 3.085 4.208 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.688 4.068 4.486 1.00 0.00 C ATOM 159 CD2 PHE A 11 10.259 2.317 5.250 1.00 0.00 C ATOM 160 CE1 PHE A 11 12.129 4.277 5.776 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.696 2.522 6.545 1.00 0.00 C ATOM 162 CZ PHE A 11 11.632 3.503 6.808 1.00 0.00 C ATOM 0 H PHE A 11 7.410 3.105 2.920 1.00 0.00 H new ATOM 0 HA PHE A 11 9.695 4.888 2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.827 1.866 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.134 2.865 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.078 4.676 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.527 1.549 5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.861 5.044 5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.306 1.916 7.350 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.975 3.665 7.819 1.00 0.00 H new ATOM 172 N ASN A 12 9.841 3.910 -0.036 1.00 0.00 N ATOM 173 CA ASN A 12 9.625 3.744 -1.469 1.00 0.00 C ATOM 174 C ASN A 12 9.591 2.268 -1.852 1.00 0.00 C ATOM 175 O ASN A 12 10.634 1.625 -1.977 1.00 0.00 O ATOM 176 CB ASN A 12 10.732 4.447 -2.257 1.00 0.00 C ATOM 177 CG ASN A 12 10.668 5.955 -2.140 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.590 6.547 -2.117 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.824 6.588 -2.047 1.00 0.00 N ATOM 0 H ASN A 12 10.764 4.269 0.210 1.00 0.00 H new ATOM 0 HA ASN A 12 8.662 4.191 -1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.702 4.100 -1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.659 4.165 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.843 7.603 -1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.697 6.061 -2.070 1.00 0.00 H new ATOM 186 N TYR A 13 8.394 1.730 -2.024 1.00 0.00 N ATOM 187 CA TYR A 13 8.239 0.356 -2.470 1.00 0.00 C ATOM 188 C TYR A 13 7.886 0.343 -3.947 1.00 0.00 C ATOM 189 O TYR A 13 6.740 0.588 -4.323 1.00 0.00 O ATOM 190 CB TYR A 13 7.163 -0.377 -1.660 1.00 0.00 C ATOM 191 CG TYR A 13 6.926 -1.802 -2.119 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.853 -2.801 -1.851 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.780 -2.143 -2.826 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.642 -4.100 -2.272 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.562 -3.439 -3.250 1.00 0.00 C ATOM 196 CZ TYR A 13 6.495 -4.414 -2.971 1.00 0.00 C ATOM 197 OH TYR A 13 6.278 -5.707 -3.389 1.00 0.00 O ATOM 0 H TYR A 13 7.517 2.224 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 13 9.182 -0.167 -2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.453 -0.386 -0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.227 0.178 -1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.753 -2.559 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.047 -1.382 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.372 -4.866 -2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.665 -3.687 -3.798 1.00 0.00 H new ATOM 0 HH TYR A 13 5.423 -5.757 -3.866 1.00 0.00 H new ATOM 207 N MET A 14 8.873 0.081 -4.782 1.00 0.00 N ATOM 208 CA MET A 14 8.656 0.066 -6.217 1.00 0.00 C ATOM 209 C MET A 14 8.143 -1.299 -6.663 1.00 0.00 C ATOM 210 O MET A 14 8.889 -2.277 -6.726 1.00 0.00 O ATOM 211 CB MET A 14 9.934 0.461 -6.973 1.00 0.00 C ATOM 212 CG MET A 14 11.153 -0.384 -6.638 1.00 0.00 C ATOM 213 SD MET A 14 12.666 0.252 -7.384 1.00 0.00 S ATOM 214 CE MET A 14 12.822 1.824 -6.540 1.00 0.00 C ATOM 0 H MET A 14 9.830 -0.124 -4.494 1.00 0.00 H new ATOM 0 HA MET A 14 7.894 0.807 -6.458 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.743 0.392 -8.044 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.161 1.505 -6.756 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.276 -0.425 -5.556 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.986 -1.406 -6.979 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.862 2.148 -6.564 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.199 2.567 -7.037 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.500 1.715 -5.505 1.00 0.00 H new ATOM 224 N ALA A 15 6.847 -1.356 -6.923 1.00 0.00 N ATOM 225 CA ALA A 15 6.210 -2.572 -7.397 1.00 0.00 C ATOM 226 C ALA A 15 6.396 -2.706 -8.901 1.00 0.00 C ATOM 227 O ALA A 15 6.631 -1.712 -9.593 1.00 0.00 O ATOM 228 CB ALA A 15 4.732 -2.561 -7.043 1.00 0.00 C ATOM 0 H ALA A 15 6.211 -0.566 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 15 6.676 -3.429 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.265 -3.477 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.618 -2.496 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.252 -1.701 -7.511 1.00 0.00 H new ATOM 234 N GLU A 16 6.287 -3.926 -9.406 1.00 0.00 N ATOM 235 CA GLU A 16 6.519 -4.174 -10.818 1.00 0.00 C ATOM 236 C GLU A 16 5.404 -5.021 -11.421 1.00 0.00 C ATOM 237 O GLU A 16 5.064 -4.874 -12.598 1.00 0.00 O ATOM 238 CB GLU A 16 7.864 -4.872 -11.012 1.00 0.00 C ATOM 239 CG GLU A 16 8.309 -4.931 -12.461 1.00 0.00 C ATOM 240 CD GLU A 16 9.574 -5.733 -12.648 1.00 0.00 C ATOM 241 OE1 GLU A 16 10.644 -5.287 -12.178 1.00 0.00 O ATOM 242 OE2 GLU A 16 9.503 -6.817 -13.265 1.00 0.00 O ATOM 0 H GLU A 16 6.041 -4.753 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 16 6.531 -3.213 -11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.623 -4.351 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.799 -5.886 -10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.513 -5.369 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.468 -3.918 -12.830 1.00 0.00 H new ATOM 249 N ARG A 17 4.836 -5.909 -10.617 1.00 0.00 N ATOM 250 CA ARG A 17 3.784 -6.790 -11.092 1.00 0.00 C ATOM 251 C ARG A 17 2.442 -6.080 -11.125 1.00 0.00 C ATOM 252 O ARG A 17 2.210 -5.118 -10.392 1.00 0.00 O ATOM 253 CB ARG A 17 3.682 -8.038 -10.219 1.00 0.00 C ATOM 254 CG ARG A 17 4.863 -8.980 -10.356 1.00 0.00 C ATOM 255 CD ARG A 17 4.674 -10.226 -9.507 1.00 0.00 C ATOM 256 NE ARG A 17 3.409 -10.898 -9.797 1.00 0.00 N ATOM 257 CZ ARG A 17 3.302 -12.170 -10.167 1.00 0.00 C ATOM 258 NH1 ARG A 17 4.389 -12.916 -10.335 1.00 0.00 N ATOM 259 NH2 ARG A 17 2.104 -12.690 -10.381 1.00 0.00 N ATOM 0 H ARG A 17 5.086 -6.037 -9.636 1.00 0.00 H new ATOM 0 HA ARG A 17 4.046 -7.087 -12.108 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.591 -7.734 -9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.769 -8.575 -10.475 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.985 -9.264 -11.401 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.777 -8.467 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.500 -10.915 -9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.707 -9.954 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 17 2.550 -10.354 -9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.313 -12.513 -10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.299 -13.892 -10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.270 -12.115 -10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.015 -13.666 -10.665 1.00 0.00 H new ATOM 273 N GLU A 18 1.568 -6.572 -11.986 1.00 0.00 N ATOM 274 CA GLU A 18 0.222 -6.035 -12.136 1.00 0.00 C ATOM 275 C GLU A 18 -0.588 -6.221 -10.854 1.00 0.00 C ATOM 276 O GLU A 18 -1.434 -5.395 -10.514 1.00 0.00 O ATOM 277 CB GLU A 18 -0.461 -6.740 -13.306 1.00 0.00 C ATOM 278 CG GLU A 18 -1.880 -6.287 -13.576 1.00 0.00 C ATOM 279 CD GLU A 18 -2.476 -6.999 -14.766 1.00 0.00 C ATOM 280 OE1 GLU A 18 -2.941 -8.149 -14.608 1.00 0.00 O ATOM 281 OE2 GLU A 18 -2.452 -6.424 -15.875 1.00 0.00 O ATOM 0 H GLU A 18 1.770 -7.358 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 18 0.282 -4.965 -12.334 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.134 -6.581 -14.205 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.467 -7.813 -13.113 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.495 -6.472 -12.695 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.891 -5.211 -13.752 1.00 0.00 H new ATOM 288 N ASP A 19 -0.309 -7.307 -10.143 1.00 0.00 N ATOM 289 CA ASP A 19 -1.009 -7.619 -8.899 1.00 0.00 C ATOM 290 C ASP A 19 -0.329 -6.958 -7.702 1.00 0.00 C ATOM 291 O ASP A 19 -0.675 -7.226 -6.551 1.00 0.00 O ATOM 292 CB ASP A 19 -1.085 -9.137 -8.695 1.00 0.00 C ATOM 293 CG ASP A 19 0.276 -9.809 -8.724 1.00 0.00 C ATOM 294 OD1 ASP A 19 0.799 -10.049 -9.834 1.00 0.00 O ATOM 295 OD2 ASP A 19 0.821 -10.113 -7.645 1.00 0.00 O ATOM 0 H ASP A 19 0.401 -7.991 -10.407 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.021 -7.222 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.567 -9.346 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.715 -9.571 -9.471 1.00 0.00 H new ATOM 300 N GLU A 20 0.631 -6.087 -7.977 1.00 0.00 N ATOM 301 CA GLU A 20 1.321 -5.352 -6.925 1.00 0.00 C ATOM 302 C GLU A 20 0.877 -3.895 -6.907 1.00 0.00 C ATOM 303 O GLU A 20 0.301 -3.398 -7.875 1.00 0.00 O ATOM 304 CB GLU A 20 2.834 -5.418 -7.101 1.00 0.00 C ATOM 305 CG GLU A 20 3.423 -6.789 -6.849 1.00 0.00 C ATOM 306 CD GLU A 20 4.928 -6.796 -7.010 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.434 -6.195 -7.984 1.00 0.00 O ATOM 308 OE2 GLU A 20 5.618 -7.395 -6.159 1.00 0.00 O ATOM 0 H GLU A 20 0.951 -5.871 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 20 1.060 -5.822 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.086 -5.106 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.300 -4.703 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.164 -7.116 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.981 -7.507 -7.540 1.00 0.00 H new ATOM 315 N LEU A 21 1.148 -3.217 -5.804 1.00 0.00 N ATOM 316 CA LEU A 21 0.816 -1.812 -5.675 1.00 0.00 C ATOM 317 C LEU A 21 2.061 -1.041 -5.246 1.00 0.00 C ATOM 318 O LEU A 21 2.654 -1.331 -4.206 1.00 0.00 O ATOM 319 CB LEU A 21 -0.324 -1.654 -4.665 1.00 0.00 C ATOM 320 CG LEU A 21 -1.017 -0.286 -4.613 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.356 0.624 -3.600 1.00 0.00 C ATOM 322 CD2 LEU A 21 -1.015 0.379 -5.977 1.00 0.00 C ATOM 0 H LEU A 21 1.599 -3.621 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 21 0.479 -1.408 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.079 -2.409 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.069 -1.874 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.049 -0.458 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.869 1.586 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.411 0.169 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.689 0.774 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.512 1.347 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.013 0.521 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.544 -0.253 -6.691 1.00 0.00 H new ATOM 334 N SER A 22 2.462 -0.080 -6.064 1.00 0.00 N ATOM 335 CA SER A 22 3.689 0.667 -5.829 1.00 0.00 C ATOM 336 C SER A 22 3.469 1.784 -4.817 1.00 0.00 C ATOM 337 O SER A 22 2.424 2.435 -4.810 1.00 0.00 O ATOM 338 CB SER A 22 4.209 1.230 -7.150 1.00 0.00 C ATOM 339 OG SER A 22 3.163 1.832 -7.893 1.00 0.00 O ATOM 0 H SER A 22 1.952 0.202 -6.901 1.00 0.00 H new ATOM 0 HA SER A 22 4.434 -0.011 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.990 1.965 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.663 0.431 -7.736 1.00 0.00 H new ATOM 0 HG SER A 22 3.521 2.187 -8.734 1.00 0.00 H new ATOM 345 N LEU A 23 4.461 2.001 -3.961 1.00 0.00 N ATOM 346 CA LEU A 23 4.354 2.991 -2.903 1.00 0.00 C ATOM 347 C LEU A 23 5.468 4.028 -3.007 1.00 0.00 C ATOM 348 O LEU A 23 6.603 3.706 -3.367 1.00 0.00 O ATOM 349 CB LEU A 23 4.409 2.308 -1.534 1.00 0.00 C ATOM 350 CG LEU A 23 3.350 1.229 -1.287 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.450 0.701 0.132 1.00 0.00 C ATOM 352 CD2 LEU A 23 1.959 1.773 -1.555 1.00 0.00 C ATOM 0 H LEU A 23 5.350 1.501 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 23 3.397 3.501 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.394 1.859 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.309 3.072 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 23 3.534 0.405 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.690 -0.065 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.438 0.270 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.293 1.518 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.221 0.991 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.764 2.616 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.891 2.103 -2.592 1.00 0.00 H new ATOM 364 N ILE A 24 5.136 5.267 -2.683 1.00 0.00 N ATOM 365 CA ILE A 24 6.093 6.357 -2.703 1.00 0.00 C ATOM 366 C ILE A 24 6.137 7.020 -1.342 1.00 0.00 C ATOM 367 O ILE A 24 5.105 7.448 -0.823 1.00 0.00 O ATOM 368 CB ILE A 24 5.725 7.421 -3.755 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.797 6.830 -5.165 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.632 8.639 -3.620 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.179 6.349 -5.566 1.00 0.00 C ATOM 0 H ILE A 24 4.196 5.544 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 24 7.065 5.936 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 24 4.699 7.745 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.100 5.995 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.464 7.582 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.359 9.381 -4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.517 9.070 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.669 8.338 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.144 5.945 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.879 7.184 -5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.508 5.572 -4.876 1.00 0.00 H new ATOM 383 N LYS A 25 7.317 7.089 -0.759 1.00 0.00 N ATOM 384 CA LYS A 25 7.479 7.752 0.519 1.00 0.00 C ATOM 385 C LYS A 25 6.986 9.188 0.396 1.00 0.00 C ATOM 386 O LYS A 25 7.482 9.959 -0.431 1.00 0.00 O ATOM 387 CB LYS A 25 8.942 7.733 0.958 1.00 0.00 C ATOM 388 CG LYS A 25 9.143 8.222 2.379 1.00 0.00 C ATOM 389 CD LYS A 25 10.609 8.250 2.769 1.00 0.00 C ATOM 390 CE LYS A 25 10.768 8.555 4.250 1.00 0.00 C ATOM 391 NZ LYS A 25 12.190 8.714 4.644 1.00 0.00 N ATOM 0 H LYS A 25 8.174 6.696 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 25 6.896 7.224 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.328 6.717 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.527 8.355 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.722 9.222 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.598 7.575 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.069 7.289 2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.132 9.003 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.223 9.467 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.319 7.752 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.247 8.921 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.707 7.835 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.613 9.498 4.107 1.00 0.00 H new ATOM 405 N GLY A 26 6.007 9.540 1.208 1.00 0.00 N ATOM 406 CA GLY A 26 5.423 10.854 1.117 1.00 0.00 C ATOM 407 C GLY A 26 3.973 10.822 0.674 1.00 0.00 C ATOM 408 O GLY A 26 3.201 11.719 1.012 1.00 0.00 O ATOM 0 H GLY A 26 5.607 8.939 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.491 11.345 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.000 11.455 0.414 1.00 0.00 H new ATOM 412 N THR A 27 3.597 9.788 -0.072 1.00 0.00 N ATOM 413 CA THR A 27 2.253 9.714 -0.632 1.00 0.00 C ATOM 414 C THR A 27 1.310 8.924 0.269 1.00 0.00 C ATOM 415 O THR A 27 1.735 8.291 1.241 1.00 0.00 O ATOM 416 CB THR A 27 2.254 9.087 -2.038 1.00 0.00 C ATOM 417 OG1 THR A 27 2.805 7.766 -1.997 1.00 0.00 O ATOM 418 CG2 THR A 27 3.054 9.939 -3.004 1.00 0.00 C ATOM 0 H THR A 27 4.198 8.997 -0.301 1.00 0.00 H new ATOM 0 HA THR A 27 1.896 10.741 -0.704 1.00 0.00 H new ATOM 0 HB THR A 27 1.221 9.034 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.736 7.809 -1.693 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.042 9.478 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.613 10.934 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.083 10.018 -2.653 1.00 0.00 H new ATOM 426 N LYS A 28 0.030 8.965 -0.068 1.00 0.00 N ATOM 427 CA LYS A 28 -0.999 8.287 0.706 1.00 0.00 C ATOM 428 C LYS A 28 -1.767 7.303 -0.177 1.00 0.00 C ATOM 429 O LYS A 28 -2.164 7.641 -1.294 1.00 0.00 O ATOM 430 CB LYS A 28 -1.962 9.316 1.293 1.00 0.00 C ATOM 431 CG LYS A 28 -3.108 8.713 2.086 1.00 0.00 C ATOM 432 CD LYS A 28 -4.307 9.647 2.124 1.00 0.00 C ATOM 433 CE LYS A 28 -4.868 9.890 0.728 1.00 0.00 C ATOM 434 NZ LYS A 28 -6.010 10.840 0.741 1.00 0.00 N ATOM 0 H LYS A 28 -0.324 9.467 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.523 7.733 1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.403 9.992 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.373 9.917 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.400 7.762 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.777 8.501 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.082 9.220 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.016 10.597 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.080 10.280 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.191 8.942 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.360 10.976 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.774 10.457 1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.697 11.754 1.127 1.00 0.00 H new ATOM 448 N VAL A 29 -1.985 6.094 0.327 1.00 0.00 N ATOM 449 CA VAL A 29 -2.714 5.077 -0.422 1.00 0.00 C ATOM 450 C VAL A 29 -4.063 4.789 0.233 1.00 0.00 C ATOM 451 O VAL A 29 -4.338 5.268 1.338 1.00 0.00 O ATOM 452 CB VAL A 29 -1.917 3.756 -0.548 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.483 4.051 -0.953 1.00 0.00 C ATOM 454 CG2 VAL A 29 -1.954 2.951 0.748 1.00 0.00 C ATOM 0 H VAL A 29 -1.668 5.794 1.249 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.867 5.478 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.389 3.150 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.070 3.116 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.475 4.567 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.014 4.682 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.384 2.031 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.518 3.540 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.987 2.707 0.995 1.00 0.00 H new ATOM 464 N ILE A 30 -4.896 4.014 -0.448 1.00 0.00 N ATOM 465 CA ILE A 30 -6.209 3.650 0.069 1.00 0.00 C ATOM 466 C ILE A 30 -6.273 2.151 0.348 1.00 0.00 C ATOM 467 O ILE A 30 -6.314 1.351 -0.583 1.00 0.00 O ATOM 468 CB ILE A 30 -7.322 4.007 -0.938 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.222 5.476 -1.346 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.695 3.697 -0.356 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.542 6.451 -0.232 1.00 0.00 C ATOM 0 H ILE A 30 -4.684 3.623 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.363 4.210 0.991 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.189 3.395 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.213 5.673 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.901 5.657 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.465 3.956 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.760 2.634 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.844 4.278 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.448 7.471 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.561 6.284 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.847 6.300 0.594 1.00 0.00 H new ATOM 483 N VAL A 31 -6.273 1.771 1.616 1.00 0.00 N ATOM 484 CA VAL A 31 -6.352 0.362 1.978 1.00 0.00 C ATOM 485 C VAL A 31 -7.804 -0.085 2.045 1.00 0.00 C ATOM 486 O VAL A 31 -8.570 0.396 2.881 1.00 0.00 O ATOM 487 CB VAL A 31 -5.704 0.056 3.343 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.637 -1.447 3.565 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.320 0.673 3.458 1.00 0.00 C ATOM 0 H VAL A 31 -6.220 2.412 2.408 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.806 -0.178 1.204 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.327 0.504 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.178 -1.652 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.644 -1.863 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.041 -1.905 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.896 0.436 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.677 0.272 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.394 1.755 3.348 1.00 0.00 H new ATOM 499 N MET A 32 -8.184 -1.001 1.173 1.00 0.00 N ATOM 500 CA MET A 32 -9.533 -1.535 1.177 1.00 0.00 C ATOM 501 C MET A 32 -9.590 -2.822 1.986 1.00 0.00 C ATOM 502 O MET A 32 -10.109 -2.843 3.100 1.00 0.00 O ATOM 503 CB MET A 32 -10.010 -1.779 -0.251 1.00 0.00 C ATOM 504 CG MET A 32 -10.321 -0.499 -1.006 1.00 0.00 C ATOM 505 SD MET A 32 -10.406 -0.751 -2.787 1.00 0.00 S ATOM 506 CE MET A 32 -8.754 -1.368 -3.088 1.00 0.00 C ATOM 0 H MET A 32 -7.576 -1.391 0.452 1.00 0.00 H new ATOM 0 HA MET A 32 -10.196 -0.806 1.643 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.245 -2.335 -0.792 1.00 0.00 H new ATOM 0 HB3 MET A 32 -10.902 -2.405 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.270 -0.095 -0.654 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.556 0.245 -0.784 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.289 -0.788 -3.885 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.160 -1.276 -2.179 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.805 -2.416 -3.384 1.00 0.00 H new ATOM 516 N GLU A 33 -9.026 -3.884 1.434 1.00 0.00 N ATOM 517 CA GLU A 33 -9.022 -5.175 2.101 1.00 0.00 C ATOM 518 C GLU A 33 -7.645 -5.466 2.678 1.00 0.00 C ATOM 519 O GLU A 33 -6.629 -5.192 2.043 1.00 0.00 O ATOM 520 CB GLU A 33 -9.433 -6.283 1.130 1.00 0.00 C ATOM 521 CG GLU A 33 -9.388 -7.673 1.745 1.00 0.00 C ATOM 522 CD GLU A 33 -9.841 -8.754 0.788 1.00 0.00 C ATOM 523 OE1 GLU A 33 -9.111 -9.034 -0.188 1.00 0.00 O ATOM 524 OE2 GLU A 33 -10.924 -9.336 1.008 1.00 0.00 O ATOM 0 H GLU A 33 -8.565 -3.877 0.524 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.745 -5.144 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.443 -6.085 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.775 -6.257 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.371 -7.887 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.020 -7.693 2.633 1.00 0.00 H new ATOM 531 N LYS A 34 -7.618 -6.006 3.885 1.00 0.00 N ATOM 532 CA LYS A 34 -6.368 -6.363 4.537 1.00 0.00 C ATOM 533 C LYS A 34 -6.292 -7.869 4.742 1.00 0.00 C ATOM 534 O LYS A 34 -7.097 -8.443 5.476 1.00 0.00 O ATOM 535 CB LYS A 34 -6.236 -5.651 5.887 1.00 0.00 C ATOM 536 CG LYS A 34 -6.222 -4.137 5.780 1.00 0.00 C ATOM 537 CD LYS A 34 -6.009 -3.493 7.136 1.00 0.00 C ATOM 538 CE LYS A 34 -5.851 -1.993 7.024 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.776 -1.355 8.361 1.00 0.00 N ATOM 0 H LYS A 34 -8.452 -6.208 4.436 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.548 -6.046 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.063 -5.953 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.318 -5.980 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.431 -3.825 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.164 -3.791 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.854 -3.722 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.122 -3.918 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.949 -1.762 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.691 -1.578 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.856 -0.323 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.554 -1.705 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.866 -1.589 8.807 1.00 0.00 H new ATOM 553 N CYS A 35 -5.343 -8.509 4.080 1.00 0.00 N ATOM 554 CA CYS A 35 -5.136 -9.935 4.249 1.00 0.00 C ATOM 555 C CYS A 35 -4.202 -10.160 5.436 1.00 0.00 C ATOM 556 O CYS A 35 -3.213 -9.442 5.597 1.00 0.00 O ATOM 557 CB CYS A 35 -4.549 -10.541 2.969 1.00 0.00 C ATOM 558 SG CYS A 35 -4.884 -12.306 2.743 1.00 0.00 S ATOM 0 H CYS A 35 -4.705 -8.063 3.421 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.089 -10.427 4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.945 -9.997 2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.470 -10.388 2.973 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.255 -12.987 3.654 1.00 0.00 H new ATOM 564 N SER A 36 -4.507 -11.151 6.258 1.00 0.00 N ATOM 565 CA SER A 36 -3.756 -11.390 7.490 1.00 0.00 C ATOM 566 C SER A 36 -2.375 -11.978 7.196 1.00 0.00 C ATOM 567 O SER A 36 -1.593 -12.249 8.107 1.00 0.00 O ATOM 568 CB SER A 36 -4.548 -12.343 8.380 1.00 0.00 C ATOM 569 OG SER A 36 -5.938 -12.081 8.281 1.00 0.00 O ATOM 0 H SER A 36 -5.271 -11.807 6.098 1.00 0.00 H new ATOM 0 HA SER A 36 -3.610 -10.437 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.345 -13.374 8.089 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.225 -12.235 9.415 1.00 0.00 H new ATOM 0 HG SER A 36 -6.430 -12.703 8.857 1.00 0.00 H new ATOM 575 N ASP A 37 -2.079 -12.156 5.918 1.00 0.00 N ATOM 576 CA ASP A 37 -0.865 -12.837 5.497 1.00 0.00 C ATOM 577 C ASP A 37 0.221 -11.844 5.098 1.00 0.00 C ATOM 578 O ASP A 37 1.245 -12.226 4.534 1.00 0.00 O ATOM 579 CB ASP A 37 -1.177 -13.774 4.333 1.00 0.00 C ATOM 580 CG ASP A 37 -2.333 -14.702 4.643 1.00 0.00 C ATOM 581 OD1 ASP A 37 -2.100 -15.784 5.220 1.00 0.00 O ATOM 582 OD2 ASP A 37 -3.489 -14.343 4.326 1.00 0.00 O ATOM 0 H ASP A 37 -2.668 -11.836 5.149 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.490 -13.417 6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.413 -13.185 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.292 -14.365 4.096 1.00 0.00 H new ATOM 587 N GLY A 38 -0.012 -10.567 5.383 1.00 0.00 N ATOM 588 CA GLY A 38 1.005 -9.557 5.140 1.00 0.00 C ATOM 589 C GLY A 38 0.670 -8.640 3.980 1.00 0.00 C ATOM 590 O GLY A 38 1.113 -7.488 3.942 1.00 0.00 O ATOM 0 H GLY A 38 -0.884 -10.213 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.137 -8.959 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.957 -10.049 4.942 1.00 0.00 H new ATOM 594 N TRP A 39 -0.106 -9.145 3.029 1.00 0.00 N ATOM 595 CA TRP A 39 -0.470 -8.370 1.849 1.00 0.00 C ATOM 596 C TRP A 39 -1.757 -7.588 2.076 1.00 0.00 C ATOM 597 O TRP A 39 -2.780 -8.148 2.471 1.00 0.00 O ATOM 598 CB TRP A 39 -0.631 -9.285 0.632 1.00 0.00 C ATOM 599 CG TRP A 39 0.652 -9.911 0.178 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.070 -11.189 0.416 1.00 0.00 C ATOM 601 CD2 TRP A 39 1.689 -9.287 -0.591 1.00 0.00 C ATOM 602 NE1 TRP A 39 2.300 -11.398 -0.161 1.00 0.00 N ATOM 603 CE2 TRP A 39 2.700 -10.245 -0.783 1.00 0.00 C ATOM 604 CE3 TRP A 39 1.859 -8.009 -1.135 1.00 0.00 C ATOM 605 CZ2 TRP A 39 3.865 -9.966 -1.499 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.014 -7.735 -1.843 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.002 -8.708 -2.018 1.00 0.00 C ATOM 0 H TRP A 39 -0.495 -10.087 3.052 1.00 0.00 H new ATOM 0 HA TRP A 39 0.336 -7.661 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -1.345 -10.073 0.872 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -1.056 -8.710 -0.191 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.515 -11.928 0.976 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.829 -12.270 -0.131 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.101 -7.250 -1.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.630 -10.716 -1.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.155 -6.752 -2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.893 -8.461 -2.575 1.00 0.00 H new ATOM 618 N TRP A 40 -1.695 -6.289 1.834 1.00 0.00 N ATOM 619 CA TRP A 40 -2.870 -5.438 1.920 1.00 0.00 C ATOM 620 C TRP A 40 -3.259 -4.950 0.535 1.00 0.00 C ATOM 621 O TRP A 40 -2.399 -4.574 -0.262 1.00 0.00 O ATOM 622 CB TRP A 40 -2.614 -4.244 2.844 1.00 0.00 C ATOM 623 CG TRP A 40 -2.635 -4.595 4.301 1.00 0.00 C ATOM 624 CD1 TRP A 40 -2.816 -5.832 4.840 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.484 -3.696 5.401 1.00 0.00 C ATOM 626 NE1 TRP A 40 -2.786 -5.762 6.209 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.582 -4.461 6.578 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.274 -2.320 5.508 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.482 -3.895 7.843 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.174 -1.760 6.767 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.277 -2.548 7.919 1.00 0.00 C ATOM 0 H TRP A 40 -0.839 -5.799 1.575 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.688 -6.024 2.338 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.646 -3.807 2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.367 -3.480 2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.962 -6.738 4.271 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.897 -6.550 6.847 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.191 -1.705 4.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.564 -4.499 8.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.014 -0.696 6.864 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.192 -2.080 8.889 1.00 0.00 H new ATOM 642 N ARG A 41 -4.553 -4.968 0.244 1.00 0.00 N ATOM 643 CA ARG A 41 -5.035 -4.536 -1.056 1.00 0.00 C ATOM 644 C ARG A 41 -5.321 -3.044 -1.025 1.00 0.00 C ATOM 645 O ARG A 41 -6.315 -2.603 -0.439 1.00 0.00 O ATOM 646 CB ARG A 41 -6.303 -5.295 -1.458 1.00 0.00 C ATOM 647 CG ARG A 41 -6.507 -5.357 -2.963 1.00 0.00 C ATOM 648 CD ARG A 41 -7.968 -5.532 -3.335 1.00 0.00 C ATOM 649 NE ARG A 41 -8.599 -6.677 -2.678 1.00 0.00 N ATOM 650 CZ ARG A 41 -9.801 -7.136 -3.010 1.00 0.00 C ATOM 651 NH1 ARG A 41 -10.474 -6.583 -4.011 1.00 0.00 N ATOM 652 NH2 ARG A 41 -10.333 -8.154 -2.346 1.00 0.00 N ATOM 0 H ARG A 41 -5.282 -5.276 0.888 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.262 -4.749 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.254 -6.309 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.168 -4.815 -0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.125 -4.443 -3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.927 -6.184 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.514 -4.625 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.049 -5.652 -4.415 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.091 -7.146 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.069 -5.803 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.396 -6.938 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.819 -8.586 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.256 -8.504 -2.603 1.00 0.00 H new ATOM 666 N GLY A 42 -4.452 -2.272 -1.648 1.00 0.00 N ATOM 667 CA GLY A 42 -4.600 -0.838 -1.618 1.00 0.00 C ATOM 668 C GLY A 42 -4.626 -0.234 -3.000 1.00 0.00 C ATOM 669 O GLY A 42 -4.124 -0.824 -3.957 1.00 0.00 O ATOM 0 H GLY A 42 -3.647 -2.612 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.521 -0.581 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.778 -0.402 -1.049 1.00 0.00 H new ATOM 673 N SER A 43 -5.229 0.934 -3.103 1.00 0.00 N ATOM 674 CA SER A 43 -5.292 1.653 -4.358 1.00 0.00 C ATOM 675 C SER A 43 -4.450 2.925 -4.275 1.00 0.00 C ATOM 676 O SER A 43 -4.564 3.687 -3.309 1.00 0.00 O ATOM 677 CB SER A 43 -6.749 1.984 -4.686 1.00 0.00 C ATOM 678 OG SER A 43 -7.319 2.818 -3.697 1.00 0.00 O ATOM 0 H SER A 43 -5.686 1.408 -2.324 1.00 0.00 H new ATOM 0 HA SER A 43 -4.888 1.030 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.803 2.477 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.325 1.062 -4.764 1.00 0.00 H new ATOM 0 HG SER A 43 -8.250 3.015 -3.932 1.00 0.00 H new ATOM 684 N TYR A 44 -3.607 3.149 -5.274 1.00 0.00 N ATOM 685 CA TYR A 44 -2.721 4.309 -5.281 1.00 0.00 C ATOM 686 C TYR A 44 -2.615 4.905 -6.684 1.00 0.00 C ATOM 687 O TYR A 44 -2.493 4.172 -7.666 1.00 0.00 O ATOM 688 CB TYR A 44 -1.332 3.918 -4.762 1.00 0.00 C ATOM 689 CG TYR A 44 -0.272 4.971 -4.996 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.212 6.114 -4.213 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.656 4.825 -6.017 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.747 7.082 -4.441 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.613 5.789 -6.254 1.00 0.00 C ATOM 694 CZ TYR A 44 1.654 6.914 -5.465 1.00 0.00 C ATOM 695 OH TYR A 44 2.601 7.880 -5.708 1.00 0.00 O ATOM 0 H TYR A 44 -3.517 2.544 -6.090 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.144 5.066 -4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.398 3.714 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.022 2.991 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.925 6.249 -3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.628 3.941 -6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.786 7.965 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.326 5.661 -7.055 1.00 0.00 H new ATOM 0 HH TYR A 44 3.162 7.605 -6.463 1.00 0.00 H new ATOM 705 N ASN A 45 -2.658 6.238 -6.758 1.00 0.00 N ATOM 706 CA ASN A 45 -2.545 6.973 -8.023 1.00 0.00 C ATOM 707 C ASN A 45 -3.710 6.652 -8.948 1.00 0.00 C ATOM 708 O ASN A 45 -4.739 7.326 -8.934 1.00 0.00 O ATOM 709 CB ASN A 45 -1.205 6.676 -8.718 1.00 0.00 C ATOM 710 CG ASN A 45 -1.013 7.481 -9.993 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.522 8.591 -10.121 1.00 0.00 O ATOM 712 ND2 ASN A 45 -0.271 6.926 -10.942 1.00 0.00 N ATOM 0 H ASN A 45 -2.772 6.840 -5.942 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.578 8.037 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.388 6.893 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.150 5.613 -8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.106 7.424 -11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.135 6.001 -10.797 1.00 0.00 H new ATOM 719 N GLY A 46 -3.540 5.612 -9.731 1.00 0.00 N ATOM 720 CA GLY A 46 -4.584 5.163 -10.625 1.00 0.00 C ATOM 721 C GLY A 46 -4.553 3.664 -10.800 1.00 0.00 C ATOM 722 O GLY A 46 -5.239 3.112 -11.661 1.00 0.00 O ATOM 0 H GLY A 46 -2.684 5.058 -9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.555 5.465 -10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.467 5.646 -11.595 1.00 0.00 H new ATOM 726 N GLN A 47 -3.768 3.002 -9.967 1.00 0.00 N ATOM 727 CA GLN A 47 -3.605 1.561 -10.048 1.00 0.00 C ATOM 728 C GLN A 47 -3.933 0.935 -8.699 1.00 0.00 C ATOM 729 O GLN A 47 -3.836 1.594 -7.661 1.00 0.00 O ATOM 730 CB GLN A 47 -2.171 1.213 -10.474 1.00 0.00 C ATOM 731 CG GLN A 47 -1.903 -0.281 -10.602 1.00 0.00 C ATOM 732 CD GLN A 47 -0.499 -0.598 -11.082 1.00 0.00 C ATOM 733 OE1 GLN A 47 0.101 0.164 -11.842 1.00 0.00 O ATOM 734 NE2 GLN A 47 0.041 -1.722 -10.626 1.00 0.00 N ATOM 0 H GLN A 47 -3.230 3.444 -9.222 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.289 1.161 -10.797 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.962 1.692 -11.431 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.476 1.635 -9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.065 -0.757 -9.635 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.624 -0.715 -11.295 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.490 -2.325 -9.998 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.987 -1.982 -10.904 1.00 0.00 H new ATOM 743 N VAL A 48 -4.338 -0.323 -8.709 1.00 0.00 N ATOM 744 CA VAL A 48 -4.669 -1.020 -7.483 1.00 0.00 C ATOM 745 C VAL A 48 -3.853 -2.305 -7.393 1.00 0.00 C ATOM 746 O VAL A 48 -3.288 -2.752 -8.392 1.00 0.00 O ATOM 747 CB VAL A 48 -6.177 -1.353 -7.418 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.474 -2.687 -8.094 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.667 -1.342 -5.982 1.00 0.00 C ATOM 0 H VAL A 48 -4.445 -0.882 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.430 -0.369 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.719 -0.581 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.542 -2.896 -8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.172 -2.640 -9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.920 -3.480 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.731 -1.579 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.117 -2.085 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.506 -0.354 -5.550 1.00 0.00 H new ATOM 759 N GLY A 49 -3.785 -2.892 -6.212 1.00 0.00 N ATOM 760 CA GLY A 49 -3.116 -4.160 -6.068 1.00 0.00 C ATOM 761 C GLY A 49 -2.743 -4.446 -4.634 1.00 0.00 C ATOM 762 O GLY A 49 -3.367 -3.918 -3.713 1.00 0.00 O ATOM 0 H GLY A 49 -4.181 -2.512 -5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.763 -4.955 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.217 -4.167 -6.684 1.00 0.00 H new ATOM 766 N TRP A 50 -1.728 -5.268 -4.441 1.00 0.00 N ATOM 767 CA TRP A 50 -1.326 -5.678 -3.107 1.00 0.00 C ATOM 768 C TRP A 50 0.018 -5.067 -2.731 1.00 0.00 C ATOM 769 O TRP A 50 0.958 -5.068 -3.528 1.00 0.00 O ATOM 770 CB TRP A 50 -1.252 -7.206 -3.031 1.00 0.00 C ATOM 771 CG TRP A 50 -2.535 -7.881 -3.415 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.925 -8.240 -4.673 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.595 -8.273 -2.538 1.00 0.00 C ATOM 774 NE1 TRP A 50 -4.166 -8.826 -4.632 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.598 -8.860 -3.333 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.796 -8.187 -1.156 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.782 -9.354 -2.793 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.971 -8.680 -0.622 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.950 -9.257 -1.439 1.00 0.00 C ATOM 0 H TRP A 50 -1.165 -5.666 -5.193 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.072 -5.320 -2.397 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.454 -7.557 -3.686 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.984 -7.500 -2.016 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.343 -8.086 -5.569 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.682 -9.179 -5.438 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.046 -7.743 -0.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.541 -9.798 -3.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -5.137 -8.619 0.443 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.858 -9.634 -0.991 1.00 0.00 H new ATOM 790 N PHE A 51 0.093 -4.533 -1.525 1.00 0.00 N ATOM 791 CA PHE A 51 1.332 -3.985 -1.003 1.00 0.00 C ATOM 792 C PHE A 51 1.622 -4.587 0.371 1.00 0.00 C ATOM 793 O PHE A 51 0.705 -5.033 1.063 1.00 0.00 O ATOM 794 CB PHE A 51 1.265 -2.446 -0.930 1.00 0.00 C ATOM 795 CG PHE A 51 0.306 -1.899 0.100 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.677 -1.821 1.434 1.00 0.00 C ATOM 797 CD2 PHE A 51 -0.961 -1.459 -0.261 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.189 -1.323 2.382 1.00 0.00 C ATOM 799 CE2 PHE A 51 -1.830 -0.958 0.688 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.444 -0.893 2.010 1.00 0.00 C ATOM 0 H PHE A 51 -0.697 -4.467 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 51 2.146 -4.246 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.263 -2.063 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.980 -2.062 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.659 -2.156 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.270 -1.509 -1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.116 -1.270 3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.812 -0.617 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.125 -0.505 2.753 1.00 0.00 H new ATOM 810 N PRO A 52 2.898 -4.634 0.778 1.00 0.00 N ATOM 811 CA PRO A 52 3.287 -5.138 2.091 1.00 0.00 C ATOM 812 C PRO A 52 2.924 -4.163 3.210 1.00 0.00 C ATOM 813 O PRO A 52 3.206 -2.966 3.121 1.00 0.00 O ATOM 814 CB PRO A 52 4.814 -5.297 1.993 1.00 0.00 C ATOM 815 CG PRO A 52 5.149 -5.100 0.550 1.00 0.00 C ATOM 816 CD PRO A 52 4.067 -4.224 -0.007 1.00 0.00 C ATOM 0 HA PRO A 52 2.772 -6.067 2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.325 -4.564 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.128 -6.283 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.127 -4.633 0.436 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.189 -6.054 0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.293 -3.166 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.919 -4.390 -1.074 1.00 0.00 H new ATOM 824 N SER A 53 2.314 -4.695 4.263 1.00 0.00 N ATOM 825 CA SER A 53 1.857 -3.904 5.408 1.00 0.00 C ATOM 826 C SER A 53 2.999 -3.122 6.077 1.00 0.00 C ATOM 827 O SER A 53 2.768 -2.105 6.731 1.00 0.00 O ATOM 828 CB SER A 53 1.182 -4.835 6.409 1.00 0.00 C ATOM 829 OG SER A 53 0.870 -4.183 7.628 1.00 0.00 O ATOM 0 H SER A 53 2.120 -5.693 4.350 1.00 0.00 H new ATOM 0 HA SER A 53 1.147 -3.159 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.268 -5.235 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.836 -5.683 6.611 1.00 0.00 H new ATOM 0 HG SER A 53 -0.101 -4.074 7.701 1.00 0.00 H new ATOM 835 N ASN A 54 4.235 -3.572 5.877 1.00 0.00 N ATOM 836 CA ASN A 54 5.394 -2.960 6.535 1.00 0.00 C ATOM 837 C ASN A 54 5.845 -1.681 5.831 1.00 0.00 C ATOM 838 O ASN A 54 6.952 -1.198 6.067 1.00 0.00 O ATOM 839 CB ASN A 54 6.563 -3.952 6.595 1.00 0.00 C ATOM 840 CG ASN A 54 6.342 -5.061 7.604 1.00 0.00 C ATOM 841 OD1 ASN A 54 6.684 -4.922 8.779 1.00 0.00 O ATOM 842 ND2 ASN A 54 5.791 -6.178 7.157 1.00 0.00 N ATOM 0 H ASN A 54 4.463 -4.357 5.266 1.00 0.00 H new ATOM 0 HA ASN A 54 5.084 -2.696 7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.713 -4.390 5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.477 -3.414 6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.637 -6.961 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.520 -6.256 6.177 1.00 0.00 H new ATOM 849 N TYR A 55 4.996 -1.124 4.978 1.00 0.00 N ATOM 850 CA TYR A 55 5.358 0.076 4.239 1.00 0.00 C ATOM 851 C TYR A 55 4.267 1.141 4.304 1.00 0.00 C ATOM 852 O TYR A 55 4.260 2.073 3.497 1.00 0.00 O ATOM 853 CB TYR A 55 5.665 -0.265 2.779 1.00 0.00 C ATOM 854 CG TYR A 55 6.932 -1.074 2.598 1.00 0.00 C ATOM 855 CD1 TYR A 55 8.179 -0.464 2.647 1.00 0.00 C ATOM 856 CD2 TYR A 55 6.881 -2.445 2.392 1.00 0.00 C ATOM 857 CE1 TYR A 55 9.339 -1.199 2.490 1.00 0.00 C ATOM 858 CE2 TYR A 55 8.036 -3.187 2.237 1.00 0.00 C ATOM 859 CZ TYR A 55 9.260 -2.560 2.287 1.00 0.00 C ATOM 860 OH TYR A 55 10.411 -3.299 2.135 1.00 0.00 O ATOM 0 H TYR A 55 4.061 -1.480 4.782 1.00 0.00 H new ATOM 0 HA TYR A 55 6.251 0.485 4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.826 -0.821 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.750 0.660 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.243 0.602 2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.922 -2.941 2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 55 10.301 -0.710 2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.979 -4.254 2.077 1.00 0.00 H new ATOM 0 HH TYR A 55 10.179 -4.242 2.002 1.00 0.00 H new ATOM 870 N VAL A 56 3.364 1.036 5.276 1.00 0.00 N ATOM 871 CA VAL A 56 2.307 2.035 5.424 1.00 0.00 C ATOM 872 C VAL A 56 2.098 2.478 6.872 1.00 0.00 C ATOM 873 O VAL A 56 2.095 1.672 7.801 1.00 0.00 O ATOM 874 CB VAL A 56 0.958 1.555 4.850 1.00 0.00 C ATOM 875 CG1 VAL A 56 0.984 1.575 3.331 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.613 0.169 5.363 1.00 0.00 C ATOM 0 H VAL A 56 3.341 0.282 5.963 1.00 0.00 H new ATOM 0 HA VAL A 56 2.657 2.892 4.848 1.00 0.00 H new ATOM 0 HB VAL A 56 0.183 2.242 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.023 1.233 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.173 2.591 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.774 0.916 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.342 -0.147 4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.391 -0.534 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.543 0.191 6.451 1.00 0.00 H new ATOM 886 N THR A 57 1.953 3.782 7.030 1.00 0.00 N ATOM 887 CA THR A 57 1.555 4.397 8.281 1.00 0.00 C ATOM 888 C THR A 57 0.116 4.888 8.161 1.00 0.00 C ATOM 889 O THR A 57 -0.158 5.867 7.468 1.00 0.00 O ATOM 890 CB THR A 57 2.481 5.584 8.639 1.00 0.00 C ATOM 891 OG1 THR A 57 3.724 5.102 9.151 1.00 0.00 O ATOM 892 CG2 THR A 57 1.838 6.518 9.655 1.00 0.00 C ATOM 0 H THR A 57 2.112 4.453 6.279 1.00 0.00 H new ATOM 0 HA THR A 57 1.634 3.654 9.075 1.00 0.00 H new ATOM 0 HB THR A 57 2.654 6.150 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.585 4.722 10.044 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.521 7.338 9.879 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.911 6.919 9.245 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.621 5.967 10.570 1.00 0.00 H new ATOM 900 N GLU A 58 -0.808 4.191 8.799 1.00 0.00 N ATOM 901 CA GLU A 58 -2.205 4.597 8.754 1.00 0.00 C ATOM 902 C GLU A 58 -2.429 5.821 9.630 1.00 0.00 C ATOM 903 O GLU A 58 -2.654 6.922 9.126 1.00 0.00 O ATOM 904 CB GLU A 58 -3.114 3.453 9.187 1.00 0.00 C ATOM 905 CG GLU A 58 -2.986 2.229 8.303 1.00 0.00 C ATOM 906 CD GLU A 58 -3.991 1.159 8.651 1.00 0.00 C ATOM 907 OE1 GLU A 58 -3.714 0.349 9.557 1.00 0.00 O ATOM 908 OE2 GLU A 58 -5.063 1.118 8.020 1.00 0.00 O ATOM 0 H GLU A 58 -0.622 3.352 9.348 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.455 4.857 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.879 3.178 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.149 3.795 9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.117 2.522 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.979 1.822 8.395 1.00 0.00 H new