USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -24:sc= 0.239 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc=-0.00602 (180deg=-0.173) USER MOD Single : A 2 THR OG1 : rot 159:sc= 1.14 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -150:sc= -0.139 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.098 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.12) USER MOD Single : A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.5!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 46 TYR OH : rot 0:sc= -2.78 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 127:sc= 0.367 USER MOD Single : A 56 THR OG1 : rot -9:sc= -0.27! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.157 1.979 3.789 1.00 0.00 N ATOM 2 CA MET A 1 -15.819 2.520 3.413 1.00 0.00 C ATOM 3 C MET A 1 -14.874 1.378 3.027 1.00 0.00 C ATOM 4 O MET A 1 -14.627 0.476 3.805 1.00 0.00 O ATOM 5 CB MET A 1 -15.313 3.234 4.667 1.00 0.00 C ATOM 6 CG MET A 1 -15.948 4.623 4.756 1.00 0.00 C ATOM 7 SD MET A 1 -15.154 5.728 3.563 1.00 0.00 S ATOM 8 CE MET A 1 -16.348 7.083 3.677 1.00 0.00 C ATOM 0 H1 MET A 1 -17.881 2.372 3.155 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.149 0.942 3.705 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.376 2.245 4.770 1.00 0.00 H new ATOM 0 HA MET A 1 -15.872 3.191 2.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.561 2.652 5.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.227 3.321 4.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.017 4.559 4.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.838 5.021 5.765 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.047 7.890 3.009 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.336 6.723 3.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.381 7.454 4.702 1.00 0.00 H new ATOM 20 N THR A 2 -14.343 1.415 1.830 1.00 0.00 N ATOM 21 CA THR A 2 -13.409 0.335 1.384 1.00 0.00 C ATOM 22 C THR A 2 -12.175 0.301 2.292 1.00 0.00 C ATOM 23 O THR A 2 -11.863 1.267 2.963 1.00 0.00 O ATOM 24 CB THR A 2 -13.020 0.707 -0.051 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.192 0.770 -0.852 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.068 -0.344 -0.624 1.00 0.00 C ATOM 0 H THR A 2 -14.516 2.147 1.142 1.00 0.00 H new ATOM 0 HA THR A 2 -13.865 -0.654 1.432 1.00 0.00 H new ATOM 0 HB THR A 2 -12.521 1.676 -0.049 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.016 1.315 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.797 -0.072 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.169 -0.393 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.559 -1.317 -0.627 1.00 0.00 H new ATOM 34 N THR A 3 -11.476 -0.806 2.317 1.00 0.00 N ATOM 35 CA THR A 3 -10.271 -0.916 3.174 1.00 0.00 C ATOM 36 C THR A 3 -9.159 -1.671 2.439 1.00 0.00 C ATOM 37 O THR A 3 -9.229 -2.873 2.259 1.00 0.00 O ATOM 38 CB THR A 3 -10.733 -1.696 4.405 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.888 -1.074 4.951 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.618 -1.713 5.452 1.00 0.00 C ATOM 0 H THR A 3 -11.696 -1.641 1.774 1.00 0.00 H new ATOM 0 HA THR A 3 -9.863 0.059 3.439 1.00 0.00 H new ATOM 0 HB THR A 3 -10.972 -2.720 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.187 -1.573 5.739 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.950 -2.270 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.733 -2.191 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.376 -0.691 5.742 1.00 0.00 H new ATOM 48 N PHE A 4 -8.136 -0.972 2.018 1.00 0.00 N ATOM 49 CA PHE A 4 -7.011 -1.639 1.296 1.00 0.00 C ATOM 50 C PHE A 4 -5.879 -1.964 2.276 1.00 0.00 C ATOM 51 O PHE A 4 -5.886 -1.523 3.410 1.00 0.00 O ATOM 52 CB PHE A 4 -6.541 -0.617 0.259 1.00 0.00 C ATOM 53 CG PHE A 4 -7.624 -0.385 -0.763 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.736 -1.231 -1.873 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.511 0.685 -0.604 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.738 -1.005 -2.824 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.512 0.910 -1.554 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.626 0.066 -2.664 1.00 0.00 C ATOM 0 H PHE A 4 -8.031 0.035 2.144 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.316 -2.578 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.286 0.322 0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.636 -0.975 -0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.050 -2.057 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.423 1.337 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.826 -1.656 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.197 1.736 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.399 0.240 -3.398 1.00 0.00 H new ATOM 68 N LYS A 5 -4.909 -2.733 1.847 1.00 0.00 N ATOM 69 CA LYS A 5 -3.776 -3.092 2.753 1.00 0.00 C ATOM 70 C LYS A 5 -2.448 -3.052 1.990 1.00 0.00 C ATOM 71 O LYS A 5 -2.254 -3.776 1.032 1.00 0.00 O ATOM 72 CB LYS A 5 -4.083 -4.515 3.219 1.00 0.00 C ATOM 73 CG LYS A 5 -3.164 -4.885 4.384 1.00 0.00 C ATOM 74 CD LYS A 5 -3.492 -6.301 4.858 1.00 0.00 C ATOM 75 CE LYS A 5 -4.733 -6.265 5.751 1.00 0.00 C ATOM 76 NZ LYS A 5 -5.128 -7.691 5.919 1.00 0.00 N ATOM 0 H LYS A 5 -4.853 -3.128 0.908 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.680 -2.398 3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.126 -4.590 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.943 -5.216 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.121 -4.826 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.292 -4.177 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.666 -6.952 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.647 -6.717 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.514 -5.800 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.533 -5.685 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.974 -7.748 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.337 -8.105 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.349 -8.217 6.365 1.00 0.00 H new ATOM 90 N LEU A 6 -1.534 -2.214 2.410 1.00 0.00 N ATOM 91 CA LEU A 6 -0.215 -2.127 1.714 1.00 0.00 C ATOM 92 C LEU A 6 0.839 -2.943 2.471 1.00 0.00 C ATOM 93 O LEU A 6 1.114 -2.689 3.629 1.00 0.00 O ATOM 94 CB LEU A 6 0.147 -0.633 1.725 1.00 0.00 C ATOM 95 CG LEU A 6 1.548 -0.423 1.129 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.525 -0.745 -0.367 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.979 1.032 1.334 1.00 0.00 C ATOM 0 H LEU A 6 -1.645 -1.586 3.206 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.257 -2.527 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.589 -0.069 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.117 -0.251 2.746 1.00 0.00 H new ATOM 0 HG LEU A 6 2.256 -1.084 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.520 -0.595 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.223 -1.782 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.816 -0.087 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.973 1.180 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.271 1.695 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.001 1.258 2.400 1.00 0.00 H new ATOM 109 N ILE A 7 1.447 -3.900 1.815 1.00 0.00 N ATOM 110 CA ILE A 7 2.504 -4.708 2.489 1.00 0.00 C ATOM 111 C ILE A 7 3.734 -3.809 2.696 1.00 0.00 C ATOM 112 O ILE A 7 3.775 -2.698 2.197 1.00 0.00 O ATOM 113 CB ILE A 7 2.770 -5.903 1.534 1.00 0.00 C ATOM 114 CG1 ILE A 7 3.214 -7.119 2.351 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.851 -5.579 0.489 1.00 0.00 C ATOM 116 CD1 ILE A 7 2.036 -7.636 3.178 1.00 0.00 C ATOM 0 H ILE A 7 1.257 -4.154 0.846 1.00 0.00 H new ATOM 0 HA ILE A 7 2.227 -5.085 3.474 1.00 0.00 H new ATOM 0 HB ILE A 7 1.841 -6.113 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.578 -7.903 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.041 -6.847 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.004 -6.444 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.532 -4.728 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.785 -5.335 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.352 -8.502 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.693 -6.851 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.222 -7.924 2.512 1.00 0.00 H new ATOM 128 N ILE A 8 4.725 -4.264 3.417 1.00 0.00 N ATOM 129 CA ILE A 8 5.929 -3.410 3.634 1.00 0.00 C ATOM 130 C ILE A 8 7.208 -4.208 3.368 1.00 0.00 C ATOM 131 O ILE A 8 7.944 -4.535 4.279 1.00 0.00 O ATOM 132 CB ILE A 8 5.853 -2.971 5.101 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.545 -2.212 5.346 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.033 -2.051 5.425 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.381 -1.947 6.843 1.00 0.00 C ATOM 0 H ILE A 8 4.753 -5.182 3.861 1.00 0.00 H new ATOM 0 HA ILE A 8 5.951 -2.555 2.959 1.00 0.00 H new ATOM 0 HB ILE A 8 5.889 -3.854 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.551 -1.270 4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.700 -2.792 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.976 -1.740 6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.968 -2.585 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.996 -1.172 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.450 -1.407 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.356 -2.895 7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.220 -1.350 7.201 1.00 0.00 H new ATOM 147 N ASN A 9 7.485 -4.508 2.124 1.00 0.00 N ATOM 148 CA ASN A 9 8.729 -5.266 1.799 1.00 0.00 C ATOM 149 C ASN A 9 9.826 -4.279 1.401 1.00 0.00 C ATOM 150 O ASN A 9 10.509 -4.452 0.410 1.00 0.00 O ATOM 151 CB ASN A 9 8.355 -6.177 0.626 1.00 0.00 C ATOM 152 CG ASN A 9 8.233 -7.624 1.113 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.895 -8.018 2.053 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.408 -8.435 0.510 1.00 0.00 N ATOM 0 H ASN A 9 6.905 -4.261 1.322 1.00 0.00 H new ATOM 0 HA ASN A 9 9.104 -5.848 2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.413 -5.851 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.112 -6.109 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.318 -9.400 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.853 -8.104 -0.279 1.00 0.00 H new ATOM 161 N GLY A 10 9.985 -3.238 2.175 1.00 0.00 N ATOM 162 CA GLY A 10 11.020 -2.213 1.864 1.00 0.00 C ATOM 163 C GLY A 10 12.222 -2.388 2.789 1.00 0.00 C ATOM 164 O GLY A 10 12.116 -2.959 3.859 1.00 0.00 O ATOM 0 H GLY A 10 9.437 -3.054 3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.334 -2.305 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.601 -1.214 1.983 1.00 0.00 H new ATOM 168 N LYS A 11 13.360 -1.888 2.386 1.00 0.00 N ATOM 169 CA LYS A 11 14.580 -2.005 3.241 1.00 0.00 C ATOM 170 C LYS A 11 14.490 -1.050 4.442 1.00 0.00 C ATOM 171 O LYS A 11 15.316 -1.096 5.334 1.00 0.00 O ATOM 172 CB LYS A 11 15.744 -1.612 2.329 1.00 0.00 C ATOM 173 CG LYS A 11 17.070 -1.868 3.048 1.00 0.00 C ATOM 174 CD LYS A 11 18.228 -1.412 2.158 1.00 0.00 C ATOM 175 CE LYS A 11 19.389 -0.937 3.034 1.00 0.00 C ATOM 176 NZ LYS A 11 19.217 0.540 3.132 1.00 0.00 N ATOM 0 H LYS A 11 13.499 -1.402 1.500 1.00 0.00 H new ATOM 0 HA LYS A 11 14.700 -3.009 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.704 -2.187 1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.665 -0.560 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.092 -1.330 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.171 -2.928 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.553 -2.232 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.900 -0.606 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.358 -1.404 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.350 -1.194 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.977 0.940 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.258 0.958 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.296 0.754 3.565 1.00 0.00 H new ATOM 190 N THR A 12 13.497 -0.187 4.476 1.00 0.00 N ATOM 191 CA THR A 12 13.365 0.762 5.621 1.00 0.00 C ATOM 192 C THR A 12 12.375 0.214 6.653 1.00 0.00 C ATOM 193 O THR A 12 12.519 0.442 7.840 1.00 0.00 O ATOM 194 CB THR A 12 12.834 2.057 5.002 1.00 0.00 C ATOM 195 OG1 THR A 12 13.720 2.489 3.979 1.00 0.00 O ATOM 196 CG2 THR A 12 12.731 3.137 6.081 1.00 0.00 C ATOM 0 H THR A 12 12.776 -0.103 3.759 1.00 0.00 H new ATOM 0 HA THR A 12 14.311 0.916 6.141 1.00 0.00 H new ATOM 0 HB THR A 12 11.847 1.878 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.380 3.317 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.353 4.059 5.638 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.050 2.805 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.717 3.318 6.510 1.00 0.00 H new ATOM 204 N LEU A 13 11.370 -0.502 6.210 1.00 0.00 N ATOM 205 CA LEU A 13 10.369 -1.062 7.169 1.00 0.00 C ATOM 206 C LEU A 13 10.034 -2.513 6.812 1.00 0.00 C ATOM 207 O LEU A 13 10.469 -3.029 5.799 1.00 0.00 O ATOM 208 CB LEU A 13 9.134 -0.174 7.015 1.00 0.00 C ATOM 209 CG LEU A 13 9.392 1.177 7.685 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.322 2.178 7.244 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.339 1.012 9.207 1.00 0.00 C ATOM 0 H LEU A 13 11.201 -0.722 5.229 1.00 0.00 H new ATOM 0 HA LEU A 13 10.744 -1.070 8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.905 -0.031 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.267 -0.656 7.466 1.00 0.00 H new ATOM 0 HG LEU A 13 10.376 1.544 7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.506 3.141 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.359 2.297 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.338 1.811 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.523 1.975 9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.355 0.644 9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.101 0.299 9.522 1.00 0.00 H new ATOM 223 N LYS A 14 9.263 -3.170 7.641 1.00 0.00 N ATOM 224 CA LYS A 14 8.890 -4.590 7.364 1.00 0.00 C ATOM 225 C LYS A 14 7.546 -4.922 8.023 1.00 0.00 C ATOM 226 O LYS A 14 7.352 -4.689 9.201 1.00 0.00 O ATOM 227 CB LYS A 14 10.011 -5.422 7.990 1.00 0.00 C ATOM 228 CG LYS A 14 10.997 -5.860 6.904 1.00 0.00 C ATOM 229 CD LYS A 14 11.886 -6.982 7.446 1.00 0.00 C ATOM 230 CE LYS A 14 13.125 -6.378 8.115 1.00 0.00 C ATOM 231 NZ LYS A 14 13.298 -7.153 9.375 1.00 0.00 N ATOM 0 H LYS A 14 8.875 -2.782 8.501 1.00 0.00 H new ATOM 0 HA LYS A 14 8.780 -4.788 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.529 -4.838 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.593 -6.296 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.455 -6.204 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.610 -5.014 6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.330 -7.585 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.185 -7.646 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.002 -6.466 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.985 -5.317 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.128 -6.797 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.450 -7.045 9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.436 -8.158 9.148 1.00 0.00 H new ATOM 245 N GLY A 15 6.621 -5.466 7.271 1.00 0.00 N ATOM 246 CA GLY A 15 5.292 -5.818 7.848 1.00 0.00 C ATOM 247 C GLY A 15 4.182 -5.363 6.899 1.00 0.00 C ATOM 248 O GLY A 15 4.315 -5.443 5.692 1.00 0.00 O ATOM 0 H GLY A 15 6.732 -5.681 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.228 -6.894 8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.170 -5.342 8.821 1.00 0.00 H new ATOM 252 N GLU A 16 3.086 -4.888 7.437 1.00 0.00 N ATOM 253 CA GLU A 16 1.959 -4.426 6.572 1.00 0.00 C ATOM 254 C GLU A 16 1.211 -3.269 7.244 1.00 0.00 C ATOM 255 O GLU A 16 1.565 -2.833 8.323 1.00 0.00 O ATOM 256 CB GLU A 16 1.044 -5.647 6.414 1.00 0.00 C ATOM 257 CG GLU A 16 0.563 -6.125 7.789 1.00 0.00 C ATOM 258 CD GLU A 16 -0.287 -7.386 7.623 1.00 0.00 C ATOM 259 OE1 GLU A 16 0.263 -8.400 7.225 1.00 0.00 O ATOM 260 OE2 GLU A 16 -1.474 -7.317 7.896 1.00 0.00 O ATOM 0 H GLU A 16 2.924 -4.800 8.440 1.00 0.00 H new ATOM 0 HA GLU A 16 2.307 -4.056 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.188 -5.392 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.580 -6.450 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.418 -6.332 8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.020 -5.342 8.274 1.00 0.00 H new ATOM 267 N THR A 17 0.179 -2.773 6.609 1.00 0.00 N ATOM 268 CA THR A 17 -0.601 -1.642 7.199 1.00 0.00 C ATOM 269 C THR A 17 -1.967 -1.526 6.516 1.00 0.00 C ATOM 270 O THR A 17 -2.165 -2.014 5.419 1.00 0.00 O ATOM 271 CB THR A 17 0.244 -0.389 6.940 1.00 0.00 C ATOM 272 OG1 THR A 17 -0.442 0.751 7.438 1.00 0.00 O ATOM 273 CG2 THR A 17 0.488 -0.221 5.436 1.00 0.00 C ATOM 0 H THR A 17 -0.158 -3.104 5.705 1.00 0.00 H new ATOM 0 HA THR A 17 -0.792 -1.786 8.263 1.00 0.00 H new ATOM 0 HB THR A 17 1.204 -0.493 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.096 1.554 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.089 0.672 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.016 -1.094 5.053 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.468 -0.121 4.921 1.00 0.00 H new ATOM 281 N THR A 18 -2.907 -0.882 7.159 1.00 0.00 N ATOM 282 CA THR A 18 -4.265 -0.729 6.557 1.00 0.00 C ATOM 283 C THR A 18 -4.752 0.715 6.712 1.00 0.00 C ATOM 284 O THR A 18 -4.311 1.436 7.587 1.00 0.00 O ATOM 285 CB THR A 18 -5.158 -1.686 7.348 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.988 -1.449 8.738 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.774 -3.131 7.024 1.00 0.00 C ATOM 0 H THR A 18 -2.792 -0.454 8.078 1.00 0.00 H new ATOM 0 HA THR A 18 -4.273 -0.953 5.490 1.00 0.00 H new ATOM 0 HB THR A 18 -6.200 -1.520 7.075 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.561 -2.060 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.411 -3.812 7.588 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.905 -3.312 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.732 -3.300 7.295 1.00 0.00 H new ATOM 295 N THR A 19 -5.659 1.139 5.867 1.00 0.00 N ATOM 296 CA THR A 19 -6.181 2.536 5.958 1.00 0.00 C ATOM 297 C THR A 19 -7.680 2.566 5.636 1.00 0.00 C ATOM 298 O THR A 19 -8.309 1.537 5.474 1.00 0.00 O ATOM 299 CB THR A 19 -5.386 3.333 4.916 1.00 0.00 C ATOM 300 OG1 THR A 19 -5.836 4.681 4.912 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.583 2.725 3.523 1.00 0.00 C ATOM 0 H THR A 19 -6.061 0.576 5.117 1.00 0.00 H new ATOM 0 HA THR A 19 -6.065 2.953 6.958 1.00 0.00 H new ATOM 0 HB THR A 19 -4.327 3.298 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.725 5.060 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.014 3.299 2.792 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.235 1.692 3.524 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.641 2.751 3.261 1.00 0.00 H new ATOM 309 N GLU A 20 -8.250 3.741 5.541 1.00 0.00 N ATOM 310 CA GLU A 20 -9.707 3.851 5.229 1.00 0.00 C ATOM 311 C GLU A 20 -9.915 4.687 3.963 1.00 0.00 C ATOM 312 O GLU A 20 -9.845 5.901 3.995 1.00 0.00 O ATOM 313 CB GLU A 20 -10.320 4.555 6.441 1.00 0.00 C ATOM 314 CG GLU A 20 -10.514 3.546 7.575 1.00 0.00 C ATOM 315 CD GLU A 20 -11.570 2.516 7.168 1.00 0.00 C ATOM 316 OE1 GLU A 20 -12.616 2.926 6.692 1.00 0.00 O ATOM 317 OE2 GLU A 20 -11.314 1.336 7.339 1.00 0.00 O ATOM 0 H GLU A 20 -7.767 4.631 5.666 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.164 2.878 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.671 5.367 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.277 5.001 6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.571 3.047 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.824 4.060 8.484 1.00 0.00 H new ATOM 324 N ALA A 21 -10.170 4.044 2.852 1.00 0.00 N ATOM 325 CA ALA A 21 -10.385 4.793 1.579 1.00 0.00 C ATOM 326 C ALA A 21 -11.702 4.362 0.932 1.00 0.00 C ATOM 327 O ALA A 21 -12.320 3.400 1.349 1.00 0.00 O ATOM 328 CB ALA A 21 -9.202 4.409 0.687 1.00 0.00 C ATOM 0 H ALA A 21 -10.239 3.029 2.772 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.443 5.870 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.288 4.921 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.271 4.701 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.204 3.331 0.524 1.00 0.00 H new ATOM 334 N VAL A 22 -12.129 5.063 -0.087 1.00 0.00 N ATOM 335 CA VAL A 22 -13.403 4.690 -0.771 1.00 0.00 C ATOM 336 C VAL A 22 -13.125 3.645 -1.859 1.00 0.00 C ATOM 337 O VAL A 22 -13.981 2.852 -2.202 1.00 0.00 O ATOM 338 CB VAL A 22 -13.943 5.997 -1.375 1.00 0.00 C ATOM 339 CG1 VAL A 22 -12.942 6.580 -2.379 1.00 0.00 C ATOM 340 CG2 VAL A 22 -15.268 5.717 -2.088 1.00 0.00 C ATOM 0 H VAL A 22 -11.651 5.877 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.127 4.246 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.096 6.717 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.341 7.505 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.999 6.788 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.773 5.863 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.653 6.642 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.107 4.988 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.989 5.321 -1.373 1.00 0.00 H new ATOM 350 N ASP A 23 -11.929 3.638 -2.401 1.00 0.00 N ATOM 351 CA ASP A 23 -11.575 2.648 -3.467 1.00 0.00 C ATOM 352 C ASP A 23 -10.094 2.787 -3.832 1.00 0.00 C ATOM 353 O ASP A 23 -9.382 3.597 -3.268 1.00 0.00 O ATOM 354 CB ASP A 23 -12.457 3.006 -4.668 1.00 0.00 C ATOM 355 CG ASP A 23 -12.647 1.773 -5.553 1.00 0.00 C ATOM 356 OD1 ASP A 23 -13.268 0.829 -5.094 1.00 0.00 O ATOM 357 OD2 ASP A 23 -12.168 1.794 -6.675 1.00 0.00 O ATOM 0 H ASP A 23 -11.178 4.281 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.737 1.620 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.425 3.372 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.997 3.811 -5.242 1.00 0.00 H new ATOM 362 N ALA A 24 -9.624 2.001 -4.770 1.00 0.00 N ATOM 363 CA ALA A 24 -8.187 2.075 -5.177 1.00 0.00 C ATOM 364 C ALA A 24 -7.808 3.503 -5.595 1.00 0.00 C ATOM 365 O ALA A 24 -6.659 3.895 -5.515 1.00 0.00 O ATOM 366 CB ALA A 24 -8.056 1.125 -6.369 1.00 0.00 C ATOM 0 H ALA A 24 -10.178 1.308 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.525 1.801 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.025 1.126 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.333 0.116 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.716 1.455 -7.171 1.00 0.00 H new ATOM 372 N ALA A 25 -8.766 4.275 -6.042 1.00 0.00 N ATOM 373 CA ALA A 25 -8.466 5.678 -6.473 1.00 0.00 C ATOM 374 C ALA A 25 -7.888 6.487 -5.307 1.00 0.00 C ATOM 375 O ALA A 25 -7.168 7.447 -5.508 1.00 0.00 O ATOM 376 CB ALA A 25 -9.810 6.261 -6.913 1.00 0.00 C ATOM 0 H ALA A 25 -9.743 3.996 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.727 5.707 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.670 7.290 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.212 5.668 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.507 6.241 -6.075 1.00 0.00 H new ATOM 382 N THR A 26 -8.199 6.108 -4.093 1.00 0.00 N ATOM 383 CA THR A 26 -7.670 6.854 -2.912 1.00 0.00 C ATOM 384 C THR A 26 -6.687 5.980 -2.126 1.00 0.00 C ATOM 385 O THR A 26 -5.807 6.478 -1.450 1.00 0.00 O ATOM 386 CB THR A 26 -8.901 7.178 -2.064 1.00 0.00 C ATOM 387 OG1 THR A 26 -9.937 7.666 -2.905 1.00 0.00 O ATOM 388 CG2 THR A 26 -8.542 8.241 -1.025 1.00 0.00 C ATOM 0 H THR A 26 -8.797 5.313 -3.869 1.00 0.00 H new ATOM 0 HA THR A 26 -7.127 7.754 -3.202 1.00 0.00 H new ATOM 0 HB THR A 26 -9.240 6.276 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.499 8.291 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.420 8.471 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.747 7.866 -0.381 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.203 9.145 -1.531 1.00 0.00 H new ATOM 396 N ALA A 27 -6.831 4.680 -2.211 1.00 0.00 N ATOM 397 CA ALA A 27 -5.905 3.766 -1.470 1.00 0.00 C ATOM 398 C ALA A 27 -4.454 4.012 -1.899 1.00 0.00 C ATOM 399 O ALA A 27 -3.607 4.340 -1.090 1.00 0.00 O ATOM 400 CB ALA A 27 -6.343 2.352 -1.856 1.00 0.00 C ATOM 0 H ALA A 27 -7.550 4.211 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.949 3.927 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.709 1.624 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.380 2.198 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.253 2.225 -2.935 1.00 0.00 H new ATOM 406 N GLU A 28 -4.168 3.857 -3.167 1.00 0.00 N ATOM 407 CA GLU A 28 -2.772 4.084 -3.661 1.00 0.00 C ATOM 408 C GLU A 28 -2.340 5.523 -3.376 1.00 0.00 C ATOM 409 O GLU A 28 -1.223 5.770 -2.973 1.00 0.00 O ATOM 410 CB GLU A 28 -2.830 3.828 -5.168 1.00 0.00 C ATOM 411 CG GLU A 28 -1.410 3.765 -5.734 1.00 0.00 C ATOM 412 CD GLU A 28 -1.470 3.778 -7.263 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.965 2.814 -7.824 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.021 4.751 -7.846 1.00 0.00 O ATOM 0 H GLU A 28 -4.840 3.583 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.051 3.431 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.354 2.893 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.393 4.621 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.826 4.612 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.908 2.862 -5.387 1.00 0.00 H new ATOM 421 N LYS A 29 -3.219 6.475 -3.577 1.00 0.00 N ATOM 422 CA LYS A 29 -2.856 7.905 -3.312 1.00 0.00 C ATOM 423 C LYS A 29 -2.386 8.076 -1.862 1.00 0.00 C ATOM 424 O LYS A 29 -1.461 8.816 -1.583 1.00 0.00 O ATOM 425 CB LYS A 29 -4.140 8.699 -3.557 1.00 0.00 C ATOM 426 CG LYS A 29 -4.440 8.727 -5.057 1.00 0.00 C ATOM 427 CD LYS A 29 -5.309 9.943 -5.382 1.00 0.00 C ATOM 428 CE LYS A 29 -4.411 11.136 -5.716 1.00 0.00 C ATOM 429 NZ LYS A 29 -5.326 12.311 -5.738 1.00 0.00 N ATOM 0 H LYS A 29 -4.171 6.325 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.041 8.245 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.971 8.245 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.031 9.715 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.510 8.770 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.952 7.811 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.965 9.720 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.950 10.183 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.626 11.261 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.918 11.002 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.783 13.170 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.059 12.167 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.776 12.418 -4.807 1.00 0.00 H new ATOM 443 N VAL A 30 -3.015 7.388 -0.944 1.00 0.00 N ATOM 444 CA VAL A 30 -2.610 7.495 0.489 1.00 0.00 C ATOM 445 C VAL A 30 -1.417 6.574 0.766 1.00 0.00 C ATOM 446 O VAL A 30 -0.437 6.980 1.363 1.00 0.00 O ATOM 447 CB VAL A 30 -3.842 7.044 1.283 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.530 7.050 2.783 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.002 8.002 1.004 1.00 0.00 C ATOM 0 H VAL A 30 -3.794 6.755 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.301 8.504 0.762 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.114 6.034 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.411 6.728 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.704 6.368 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.253 8.058 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.880 7.684 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.722 9.011 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.232 7.994 -0.061 1.00 0.00 H new ATOM 459 N PHE A 31 -1.497 5.338 0.342 1.00 0.00 N ATOM 460 CA PHE A 31 -0.370 4.388 0.586 1.00 0.00 C ATOM 461 C PHE A 31 0.882 4.852 -0.159 1.00 0.00 C ATOM 462 O PHE A 31 1.991 4.663 0.306 1.00 0.00 O ATOM 463 CB PHE A 31 -0.852 3.032 0.059 1.00 0.00 C ATOM 464 CG PHE A 31 -1.629 2.309 1.139 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.082 2.155 2.422 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.897 1.788 0.857 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.802 1.484 3.416 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.617 1.116 1.852 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.069 0.964 3.132 1.00 0.00 C ATOM 0 H PHE A 31 -2.293 4.946 -0.162 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.105 4.330 1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.481 3.176 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.001 2.429 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.103 2.555 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.321 1.905 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.379 1.367 4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.595 0.715 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.625 0.445 3.899 1.00 0.00 H new ATOM 479 N LYS A 32 0.717 5.471 -1.303 1.00 0.00 N ATOM 480 CA LYS A 32 1.906 5.961 -2.062 1.00 0.00 C ATOM 481 C LYS A 32 2.603 7.049 -1.244 1.00 0.00 C ATOM 482 O LYS A 32 3.809 7.045 -1.086 1.00 0.00 O ATOM 483 CB LYS A 32 1.361 6.536 -3.371 1.00 0.00 C ATOM 484 CG LYS A 32 2.523 7.022 -4.241 1.00 0.00 C ATOM 485 CD LYS A 32 2.045 8.162 -5.142 1.00 0.00 C ATOM 486 CE LYS A 32 3.159 8.540 -6.121 1.00 0.00 C ATOM 487 NZ LYS A 32 3.053 10.018 -6.272 1.00 0.00 N ATOM 0 H LYS A 32 -0.185 5.657 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 32 2.631 5.171 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.788 5.777 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.680 7.361 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.345 7.362 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.905 6.201 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.153 7.858 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.769 9.026 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.137 8.252 -5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.031 8.035 -7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.786 10.353 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.114 10.262 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.186 10.472 -5.346 1.00 0.00 H new ATOM 501 N GLN A 33 1.840 7.971 -0.707 1.00 0.00 N ATOM 502 CA GLN A 33 2.443 9.056 0.126 1.00 0.00 C ATOM 503 C GLN A 33 3.111 8.441 1.353 1.00 0.00 C ATOM 504 O GLN A 33 4.125 8.913 1.832 1.00 0.00 O ATOM 505 CB GLN A 33 1.272 9.956 0.535 1.00 0.00 C ATOM 506 CG GLN A 33 1.785 11.128 1.379 1.00 0.00 C ATOM 507 CD GLN A 33 2.749 11.988 0.554 1.00 0.00 C ATOM 508 OE1 GLN A 33 3.788 12.389 1.040 1.00 0.00 O ATOM 509 NE2 GLN A 33 2.450 12.290 -0.680 1.00 0.00 N ATOM 0 H GLN A 33 0.826 8.018 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 33 3.205 9.621 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.763 10.331 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.541 9.381 1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.946 11.734 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.291 10.752 2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.578 11.955 -1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.088 12.861 -1.234 1.00 0.00 H new ATOM 518 N TYR A 34 2.550 7.374 1.839 1.00 0.00 N ATOM 519 CA TYR A 34 3.135 6.674 3.021 1.00 0.00 C ATOM 520 C TYR A 34 4.496 6.087 2.616 1.00 0.00 C ATOM 521 O TYR A 34 5.498 6.298 3.273 1.00 0.00 O ATOM 522 CB TYR A 34 2.101 5.577 3.372 1.00 0.00 C ATOM 523 CG TYR A 34 2.737 4.444 4.151 1.00 0.00 C ATOM 524 CD1 TYR A 34 2.871 4.540 5.537 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.193 3.305 3.477 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.462 3.494 6.256 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.784 2.258 4.192 1.00 0.00 C ATOM 528 CZ TYR A 34 3.919 2.352 5.583 1.00 0.00 C ATOM 529 OH TYR A 34 4.502 1.320 6.290 1.00 0.00 O ATOM 0 H TYR A 34 1.701 6.949 1.466 1.00 0.00 H new ATOM 0 HA TYR A 34 3.316 7.319 3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.291 6.013 3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.658 5.186 2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.519 5.420 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.088 3.235 2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.566 3.567 7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.136 1.379 3.672 1.00 0.00 H new ATOM 0 HH TYR A 34 4.121 1.285 7.192 1.00 0.00 H new ATOM 539 N ALA A 35 4.524 5.354 1.535 1.00 0.00 N ATOM 540 CA ALA A 35 5.804 4.745 1.066 1.00 0.00 C ATOM 541 C ALA A 35 6.766 5.839 0.597 1.00 0.00 C ATOM 542 O ALA A 35 7.948 5.803 0.883 1.00 0.00 O ATOM 543 CB ALA A 35 5.411 3.840 -0.102 1.00 0.00 C ATOM 0 H ALA A 35 3.711 5.150 0.953 1.00 0.00 H new ATOM 0 HA ALA A 35 6.311 4.191 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.301 3.355 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.710 3.081 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.941 4.438 -0.883 1.00 0.00 H new ATOM 549 N ASN A 36 6.266 6.812 -0.125 1.00 0.00 N ATOM 550 CA ASN A 36 7.141 7.917 -0.622 1.00 0.00 C ATOM 551 C ASN A 36 7.849 8.609 0.547 1.00 0.00 C ATOM 552 O ASN A 36 8.990 9.019 0.439 1.00 0.00 O ATOM 553 CB ASN A 36 6.197 8.896 -1.326 1.00 0.00 C ATOM 554 CG ASN A 36 7.013 9.877 -2.169 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.005 10.411 -1.712 1.00 0.00 O ATOM 556 ND2 ASN A 36 6.635 10.140 -3.390 1.00 0.00 N ATOM 0 H ASN A 36 5.285 6.888 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 36 7.919 7.547 -1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.497 8.351 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.604 9.439 -0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.172 10.793 -3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.803 9.692 -3.774 1.00 0.00 H new ATOM 563 N ASP A 37 7.178 8.737 1.663 1.00 0.00 N ATOM 564 CA ASP A 37 7.803 9.400 2.849 1.00 0.00 C ATOM 565 C ASP A 37 9.017 8.596 3.322 1.00 0.00 C ATOM 566 O ASP A 37 10.125 9.097 3.361 1.00 0.00 O ATOM 567 CB ASP A 37 6.715 9.410 3.925 1.00 0.00 C ATOM 568 CG ASP A 37 7.115 10.370 5.047 1.00 0.00 C ATOM 569 OD1 ASP A 37 7.954 9.995 5.850 1.00 0.00 O ATOM 570 OD2 ASP A 37 6.575 11.463 5.085 1.00 0.00 O ATOM 0 H ASP A 37 6.222 8.411 1.805 1.00 0.00 H new ATOM 0 HA ASP A 37 8.154 10.406 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.763 9.717 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.574 8.406 4.324 1.00 0.00 H new ATOM 575 N ASN A 38 8.812 7.354 3.679 1.00 0.00 N ATOM 576 CA ASN A 38 9.951 6.507 4.151 1.00 0.00 C ATOM 577 C ASN A 38 10.913 6.230 2.993 1.00 0.00 C ATOM 578 O ASN A 38 12.115 6.370 3.127 1.00 0.00 O ATOM 579 CB ASN A 38 9.313 5.205 4.640 1.00 0.00 C ATOM 580 CG ASN A 38 8.563 5.463 5.947 1.00 0.00 C ATOM 581 OD1 ASN A 38 9.170 5.676 6.978 1.00 0.00 O ATOM 582 ND2 ASN A 38 7.258 5.453 5.949 1.00 0.00 N ATOM 0 H ASN A 38 7.905 6.889 3.664 1.00 0.00 H new ATOM 0 HA ASN A 38 10.526 6.994 4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.628 4.818 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.081 4.446 4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.748 5.624 6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.748 5.274 5.084 1.00 0.00 H new ATOM 589 N GLY A 39 10.391 5.841 1.857 1.00 0.00 N ATOM 590 CA GLY A 39 11.266 5.555 0.683 1.00 0.00 C ATOM 591 C GLY A 39 11.027 4.126 0.194 1.00 0.00 C ATOM 592 O GLY A 39 11.933 3.314 0.167 1.00 0.00 O ATOM 0 H GLY A 39 9.393 5.709 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.057 6.263 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.313 5.685 0.958 1.00 0.00 H new ATOM 596 N ILE A 40 9.817 3.814 -0.199 1.00 0.00 N ATOM 597 CA ILE A 40 9.519 2.436 -0.695 1.00 0.00 C ATOM 598 C ILE A 40 9.113 2.483 -2.173 1.00 0.00 C ATOM 599 O ILE A 40 8.009 2.117 -2.534 1.00 0.00 O ATOM 600 CB ILE A 40 8.362 1.930 0.179 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.833 1.848 1.636 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.915 0.538 -0.296 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.665 1.447 2.544 1.00 0.00 C ATOM 0 H ILE A 40 9.023 4.454 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 40 10.385 1.777 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 40 7.520 2.618 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.640 1.121 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.235 2.811 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.094 0.186 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.582 0.597 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.751 -0.158 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.009 1.391 3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.871 2.190 2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.282 0.474 2.236 1.00 0.00 H new ATOM 615 N ASP A 41 10.004 2.912 -3.030 1.00 0.00 N ATOM 616 CA ASP A 41 9.684 2.962 -4.488 1.00 0.00 C ATOM 617 C ASP A 41 9.988 1.598 -5.113 1.00 0.00 C ATOM 618 O ASP A 41 10.766 1.486 -6.042 1.00 0.00 O ATOM 619 CB ASP A 41 10.602 4.041 -5.062 1.00 0.00 C ATOM 620 CG ASP A 41 10.070 5.423 -4.677 1.00 0.00 C ATOM 621 OD1 ASP A 41 8.862 5.593 -4.683 1.00 0.00 O ATOM 622 OD2 ASP A 41 10.879 6.287 -4.381 1.00 0.00 O ATOM 0 H ASP A 41 10.941 3.230 -2.782 1.00 0.00 H new ATOM 0 HA ASP A 41 8.636 3.188 -4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.615 3.911 -4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.654 3.949 -6.147 1.00 0.00 H new ATOM 627 N GLY A 42 9.386 0.561 -4.591 1.00 0.00 N ATOM 628 CA GLY A 42 9.633 -0.809 -5.119 1.00 0.00 C ATOM 629 C GLY A 42 8.745 -1.072 -6.332 1.00 0.00 C ATOM 630 O GLY A 42 8.585 -0.229 -7.195 1.00 0.00 O ATOM 0 H GLY A 42 8.727 0.608 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.682 -0.917 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.431 -1.548 -4.344 1.00 0.00 H new ATOM 634 N GLU A 43 8.160 -2.238 -6.391 1.00 0.00 N ATOM 635 CA GLU A 43 7.269 -2.582 -7.527 1.00 0.00 C ATOM 636 C GLU A 43 5.857 -2.827 -7.004 1.00 0.00 C ATOM 637 O GLU A 43 5.546 -3.874 -6.468 1.00 0.00 O ATOM 638 CB GLU A 43 7.860 -3.847 -8.167 1.00 0.00 C ATOM 639 CG GLU A 43 8.026 -4.961 -7.116 1.00 0.00 C ATOM 640 CD GLU A 43 9.513 -5.260 -6.905 1.00 0.00 C ATOM 641 OE1 GLU A 43 10.295 -4.324 -6.930 1.00 0.00 O ATOM 642 OE2 GLU A 43 9.843 -6.420 -6.720 1.00 0.00 O ATOM 0 H GLU A 43 8.265 -2.972 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 43 7.206 -1.781 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.209 -4.192 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.826 -3.616 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.570 -4.655 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.508 -5.862 -7.443 1.00 0.00 H new ATOM 649 N TRP A 44 5.015 -1.842 -7.127 1.00 0.00 N ATOM 650 CA TRP A 44 3.630 -1.965 -6.608 1.00 0.00 C ATOM 651 C TRP A 44 2.793 -2.958 -7.406 1.00 0.00 C ATOM 652 O TRP A 44 2.883 -3.058 -8.614 1.00 0.00 O ATOM 653 CB TRP A 44 3.042 -0.564 -6.704 1.00 0.00 C ATOM 654 CG TRP A 44 3.599 0.240 -5.584 1.00 0.00 C ATOM 655 CD1 TRP A 44 4.887 0.641 -5.487 1.00 0.00 C ATOM 656 CD2 TRP A 44 2.923 0.722 -4.392 1.00 0.00 C ATOM 657 NE1 TRP A 44 5.042 1.346 -4.308 1.00 0.00 N ATOM 658 CE2 TRP A 44 3.859 1.420 -3.598 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.599 0.624 -3.927 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.497 1.998 -2.384 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.230 1.207 -2.705 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.179 1.892 -1.934 1.00 0.00 C ATOM 0 H TRP A 44 5.231 -0.949 -7.570 1.00 0.00 H new ATOM 0 HA TRP A 44 3.632 -2.348 -5.588 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.293 -0.109 -7.662 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.954 -0.601 -6.644 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.665 0.443 -6.210 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.922 1.761 -4.000 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.862 0.097 -4.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.231 2.525 -1.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.211 1.128 -2.357 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.892 2.337 -0.993 1.00 0.00 H new ATOM 673 N THR A 45 1.955 -3.667 -6.709 1.00 0.00 N ATOM 674 CA THR A 45 1.051 -4.653 -7.350 1.00 0.00 C ATOM 675 C THR A 45 -0.180 -4.802 -6.464 1.00 0.00 C ATOM 676 O THR A 45 -0.071 -4.955 -5.261 1.00 0.00 O ATOM 677 CB THR A 45 1.831 -5.963 -7.418 1.00 0.00 C ATOM 678 OG1 THR A 45 2.574 -6.138 -6.220 1.00 0.00 O ATOM 679 CG2 THR A 45 2.784 -5.931 -8.614 1.00 0.00 C ATOM 0 H THR A 45 1.858 -3.601 -5.696 1.00 0.00 H new ATOM 0 HA THR A 45 0.729 -4.353 -8.347 1.00 0.00 H new ATOM 0 HB THR A 45 1.134 -6.793 -7.534 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.073 -6.980 -6.265 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.340 -6.867 -8.661 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.211 -5.803 -9.532 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.481 -5.100 -8.502 1.00 0.00 H new ATOM 687 N TYR A 46 -1.344 -4.730 -7.040 1.00 0.00 N ATOM 688 CA TYR A 46 -2.588 -4.834 -6.226 1.00 0.00 C ATOM 689 C TYR A 46 -3.191 -6.240 -6.358 1.00 0.00 C ATOM 690 O TYR A 46 -3.243 -6.808 -7.432 1.00 0.00 O ATOM 691 CB TYR A 46 -3.506 -3.746 -6.818 1.00 0.00 C ATOM 692 CG TYR A 46 -4.946 -3.928 -6.380 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.770 -4.828 -7.065 1.00 0.00 C ATOM 694 CD2 TYR A 46 -5.457 -3.189 -5.306 1.00 0.00 C ATOM 695 CE1 TYR A 46 -7.103 -4.991 -6.677 1.00 0.00 C ATOM 696 CE2 TYR A 46 -6.791 -3.350 -4.920 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.615 -4.252 -5.606 1.00 0.00 C ATOM 698 OH TYR A 46 -8.932 -4.410 -5.229 1.00 0.00 O ATOM 0 H TYR A 46 -1.490 -4.603 -8.041 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.427 -4.687 -5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.153 -2.763 -6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.450 -3.775 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.376 -5.397 -7.894 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.821 -2.495 -4.776 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.738 -5.688 -7.204 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.186 -2.779 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.362 -5.071 -5.811 1.00 0.00 H new ATOM 708 N ASP A 47 -3.651 -6.792 -5.265 1.00 0.00 N ATOM 709 CA ASP A 47 -4.263 -8.152 -5.302 1.00 0.00 C ATOM 710 C ASP A 47 -5.783 -8.040 -5.163 1.00 0.00 C ATOM 711 O ASP A 47 -6.300 -7.812 -4.085 1.00 0.00 O ATOM 712 CB ASP A 47 -3.665 -8.889 -4.103 1.00 0.00 C ATOM 713 CG ASP A 47 -2.160 -9.063 -4.308 1.00 0.00 C ATOM 714 OD1 ASP A 47 -1.421 -8.173 -3.919 1.00 0.00 O ATOM 715 OD2 ASP A 47 -1.770 -10.084 -4.852 1.00 0.00 O ATOM 0 H ASP A 47 -3.628 -6.356 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.064 -8.675 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.855 -8.329 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.142 -9.862 -3.987 1.00 0.00 H new ATOM 720 N ASP A 48 -6.497 -8.192 -6.249 1.00 0.00 N ATOM 721 CA ASP A 48 -7.989 -8.090 -6.193 1.00 0.00 C ATOM 722 C ASP A 48 -8.574 -9.197 -5.308 1.00 0.00 C ATOM 723 O ASP A 48 -9.679 -9.083 -4.812 1.00 0.00 O ATOM 724 CB ASP A 48 -8.460 -8.260 -7.639 1.00 0.00 C ATOM 725 CG ASP A 48 -9.790 -7.529 -7.831 1.00 0.00 C ATOM 726 OD1 ASP A 48 -9.759 -6.325 -8.024 1.00 0.00 O ATOM 727 OD2 ASP A 48 -10.817 -8.186 -7.781 1.00 0.00 O ATOM 0 H ASP A 48 -6.112 -8.383 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.313 -7.141 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.712 -7.863 -8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.577 -9.318 -7.873 1.00 0.00 H new ATOM 732 N ALA A 49 -7.845 -10.271 -5.110 1.00 0.00 N ATOM 733 CA ALA A 49 -8.357 -11.392 -4.262 1.00 0.00 C ATOM 734 C ALA A 49 -8.786 -10.880 -2.882 1.00 0.00 C ATOM 735 O ALA A 49 -9.781 -11.315 -2.333 1.00 0.00 O ATOM 736 CB ALA A 49 -7.183 -12.365 -4.127 1.00 0.00 C ATOM 0 H ALA A 49 -6.915 -10.418 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.233 -11.865 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.484 -13.216 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.885 -12.715 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.342 -11.858 -3.654 1.00 0.00 H new ATOM 742 N THR A 50 -8.040 -9.962 -2.319 1.00 0.00 N ATOM 743 CA THR A 50 -8.399 -9.420 -0.974 1.00 0.00 C ATOM 744 C THR A 50 -7.971 -7.952 -0.849 1.00 0.00 C ATOM 745 O THR A 50 -7.788 -7.445 0.241 1.00 0.00 O ATOM 746 CB THR A 50 -7.625 -10.289 0.022 1.00 0.00 C ATOM 747 OG1 THR A 50 -6.234 -10.196 -0.253 1.00 0.00 O ATOM 748 CG2 THR A 50 -8.075 -11.746 -0.107 1.00 0.00 C ATOM 0 H THR A 50 -7.197 -9.565 -2.734 1.00 0.00 H new ATOM 0 HA THR A 50 -9.474 -9.448 -0.797 1.00 0.00 H new ATOM 0 HB THR A 50 -7.821 -9.940 1.036 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.737 -10.750 0.384 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.523 -12.362 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.142 -11.817 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.881 -12.098 -1.120 1.00 0.00 H new ATOM 756 N LYS A 51 -7.811 -7.262 -1.957 1.00 0.00 N ATOM 757 CA LYS A 51 -7.396 -5.818 -1.910 1.00 0.00 C ATOM 758 C LYS A 51 -6.149 -5.637 -1.033 1.00 0.00 C ATOM 759 O LYS A 51 -6.252 -5.441 0.165 1.00 0.00 O ATOM 760 CB LYS A 51 -8.593 -5.072 -1.300 1.00 0.00 C ATOM 761 CG LYS A 51 -9.190 -4.111 -2.334 1.00 0.00 C ATOM 762 CD LYS A 51 -10.430 -4.746 -2.970 1.00 0.00 C ATOM 763 CE LYS A 51 -11.580 -4.747 -1.960 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.816 -4.672 -2.788 1.00 0.00 N ATOM 0 H LYS A 51 -7.950 -7.637 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.140 -5.441 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.350 -5.786 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.276 -4.518 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.456 -3.168 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.451 -3.883 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.717 -4.192 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.208 -5.766 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.568 -5.649 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.509 -3.899 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.650 -4.668 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.802 -3.800 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.860 -5.496 -3.422 1.00 0.00 H new ATOM 778 N THR A 52 -4.979 -5.703 -1.617 1.00 0.00 N ATOM 779 CA THR A 52 -3.734 -5.538 -0.808 1.00 0.00 C ATOM 780 C THR A 52 -2.581 -5.015 -1.670 1.00 0.00 C ATOM 781 O THR A 52 -1.966 -5.757 -2.412 1.00 0.00 O ATOM 782 CB THR A 52 -3.417 -6.942 -0.289 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.556 -7.465 0.380 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.237 -6.879 0.681 1.00 0.00 C ATOM 0 H THR A 52 -4.833 -5.863 -2.614 1.00 0.00 H new ATOM 0 HA THR A 52 -3.867 -4.815 -0.003 1.00 0.00 H new ATOM 0 HB THR A 52 -3.158 -7.588 -1.127 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.116 -6.727 0.698 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.014 -7.881 1.049 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.364 -6.479 0.166 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.491 -6.232 1.521 1.00 0.00 H new ATOM 792 N PHE A 53 -2.273 -3.745 -1.560 1.00 0.00 N ATOM 793 CA PHE A 53 -1.140 -3.174 -2.356 1.00 0.00 C ATOM 794 C PHE A 53 0.162 -3.850 -1.924 1.00 0.00 C ATOM 795 O PHE A 53 0.410 -4.021 -0.745 1.00 0.00 O ATOM 796 CB PHE A 53 -1.111 -1.684 -2.011 1.00 0.00 C ATOM 797 CG PHE A 53 -2.274 -0.987 -2.674 1.00 0.00 C ATOM 798 CD1 PHE A 53 -2.138 -0.486 -3.974 1.00 0.00 C ATOM 799 CD2 PHE A 53 -3.485 -0.838 -1.989 1.00 0.00 C ATOM 800 CE1 PHE A 53 -3.213 0.164 -4.589 1.00 0.00 C ATOM 801 CE2 PHE A 53 -4.562 -0.189 -2.604 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.425 0.313 -3.905 1.00 0.00 C ATOM 0 H PHE A 53 -2.756 -3.080 -0.955 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.257 -3.330 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.162 -1.550 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.172 -1.242 -2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.203 -0.601 -4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.589 -1.224 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.108 0.551 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.497 -0.075 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.255 0.815 -4.380 1.00 0.00 H new ATOM 812 N THR A 54 0.979 -4.267 -2.859 1.00 0.00 N ATOM 813 CA THR A 54 2.245 -4.969 -2.469 1.00 0.00 C ATOM 814 C THR A 54 3.499 -4.332 -3.093 1.00 0.00 C ATOM 815 O THR A 54 3.819 -4.582 -4.240 1.00 0.00 O ATOM 816 CB THR A 54 2.060 -6.395 -2.995 1.00 0.00 C ATOM 817 OG1 THR A 54 0.856 -6.937 -2.469 1.00 0.00 O ATOM 818 CG2 THR A 54 3.242 -7.268 -2.568 1.00 0.00 C ATOM 0 H THR A 54 0.830 -4.155 -3.862 1.00 0.00 H new ATOM 0 HA THR A 54 2.405 -4.917 -1.392 1.00 0.00 H new ATOM 0 HB THR A 54 2.009 -6.373 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.299 -7.270 -3.203 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.102 -8.281 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.165 -6.854 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.302 -7.292 -1.480 1.00 0.00 H new ATOM 826 N VAL A 55 4.239 -3.554 -2.328 1.00 0.00 N ATOM 827 CA VAL A 55 5.496 -2.959 -2.862 1.00 0.00 C ATOM 828 C VAL A 55 6.702 -3.717 -2.286 1.00 0.00 C ATOM 829 O VAL A 55 6.579 -4.468 -1.335 1.00 0.00 O ATOM 830 CB VAL A 55 5.524 -1.477 -2.441 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.680 -1.342 -0.927 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.713 -0.791 -3.118 1.00 0.00 C ATOM 0 H VAL A 55 4.021 -3.311 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 55 5.540 -3.034 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 55 4.585 -1.013 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.697 -0.286 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.842 -1.831 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.612 -1.812 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.742 0.259 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.638 -1.279 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.607 -0.864 -4.200 1.00 0.00 H new ATOM 842 N THR A 56 7.856 -3.519 -2.859 1.00 0.00 N ATOM 843 CA THR A 56 9.080 -4.219 -2.373 1.00 0.00 C ATOM 844 C THR A 56 10.336 -3.507 -2.894 1.00 0.00 C ATOM 845 O THR A 56 10.550 -3.412 -4.089 1.00 0.00 O ATOM 846 CB THR A 56 8.972 -5.622 -2.980 1.00 0.00 C ATOM 847 OG1 THR A 56 7.818 -6.272 -2.467 1.00 0.00 O ATOM 848 CG2 THR A 56 10.216 -6.454 -2.642 1.00 0.00 C ATOM 0 H THR A 56 8.006 -2.895 -3.652 1.00 0.00 H new ATOM 0 HA THR A 56 9.155 -4.237 -1.286 1.00 0.00 H new ATOM 0 HB THR A 56 8.896 -5.528 -4.063 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.441 -5.740 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.120 -7.447 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.102 -5.963 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.310 -6.544 -1.560 1.00 0.00 H new ATOM 856 N GLU A 57 11.169 -3.019 -2.009 1.00 0.00 N ATOM 857 CA GLU A 57 12.414 -2.323 -2.453 1.00 0.00 C ATOM 858 C GLU A 57 13.523 -3.344 -2.720 1.00 0.00 C ATOM 859 O GLU A 57 13.768 -4.165 -1.851 1.00 0.00 O ATOM 860 CB GLU A 57 12.799 -1.408 -1.291 1.00 0.00 C ATOM 861 CG GLU A 57 11.743 -0.313 -1.131 1.00 0.00 C ATOM 862 CD GLU A 57 11.962 0.764 -2.195 1.00 0.00 C ATOM 863 OE1 GLU A 57 11.774 0.463 -3.362 1.00 0.00 O ATOM 864 OE2 GLU A 57 12.314 1.872 -1.824 1.00 0.00 O ATOM 865 OXT GLU A 57 14.108 -3.289 -3.790 1.00 0.00 O ATOM 0 H GLU A 57 11.040 -3.073 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 57 12.264 -1.764 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.881 -1.986 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.776 -0.961 -1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.744 -0.739 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.806 0.126 -0.135 1.00 0.00 H new TER 872 GLU A 57