USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 388 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.8! C(o=-2.8!,f=-4.3!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.106 K(o=-0.11,f=-3.1!) USER MOD Single : A 29 HIS : no HD1:sc= -5.47! C(o=-5.5!,f=-7.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc=-0.00406 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -3.5! C(o=-4!,f=-3.5!) USER MOD Single : A 62 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.52) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -6.964 5.600 7.050 1.00 0.00 N ATOM 21 CA LEU A 2 -6.498 4.509 7.965 1.00 0.00 C ATOM 22 C LEU A 2 -5.034 4.151 7.655 1.00 0.00 C ATOM 23 O LEU A 2 -4.425 4.730 6.777 1.00 0.00 O ATOM 24 CB LEU A 2 -7.453 3.289 7.848 1.00 0.00 C ATOM 25 CG LEU A 2 -7.148 2.337 6.660 1.00 0.00 C ATOM 26 CD1 LEU A 2 -6.343 3.003 5.543 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.383 1.113 7.166 1.00 0.00 C ATOM 0 HA LEU A 2 -6.528 4.847 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.405 2.718 8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.476 3.654 7.750 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.110 2.049 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.164 2.283 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.902 3.852 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.389 3.349 5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.170 0.446 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.447 1.433 7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.987 0.587 7.905 1.00 0.00 H new ATOM 39 N GLU A 3 -4.456 3.227 8.372 1.00 0.00 N ATOM 40 CA GLU A 3 -3.029 2.874 8.114 1.00 0.00 C ATOM 41 C GLU A 3 -2.931 1.451 7.549 1.00 0.00 C ATOM 42 O GLU A 3 -3.886 0.701 7.557 1.00 0.00 O ATOM 43 CB GLU A 3 -2.250 2.963 9.432 1.00 0.00 C ATOM 44 CG GLU A 3 -0.815 3.410 9.147 1.00 0.00 C ATOM 45 CD GLU A 3 0.121 2.202 9.196 1.00 0.00 C ATOM 46 OE1 GLU A 3 -0.367 1.093 9.047 1.00 0.00 O ATOM 47 OE2 GLU A 3 1.310 2.404 9.380 1.00 0.00 O ATOM 0 H GLU A 3 -4.906 2.703 9.122 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.608 3.568 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.735 3.669 10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.248 1.994 9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.760 3.885 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.503 4.154 9.880 1.00 0.00 H new ATOM 54 N GLY A 4 -1.781 1.077 7.049 1.00 0.00 N ATOM 55 CA GLY A 4 -1.615 -0.284 6.475 1.00 0.00 C ATOM 56 C GLY A 4 -0.169 -0.730 6.660 1.00 0.00 C ATOM 57 O GLY A 4 0.727 0.085 6.806 1.00 0.00 O ATOM 0 H GLY A 4 -0.947 1.663 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.290 -0.984 6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.875 -0.280 5.416 1.00 0.00 H new ATOM 61 N LYS A 5 0.075 -2.013 6.662 1.00 0.00 N ATOM 62 CA LYS A 5 1.476 -2.490 6.853 1.00 0.00 C ATOM 63 C LYS A 5 1.806 -3.600 5.856 1.00 0.00 C ATOM 64 O LYS A 5 1.169 -4.634 5.824 1.00 0.00 O ATOM 65 CB LYS A 5 1.646 -3.032 8.271 1.00 0.00 C ATOM 66 CG LYS A 5 0.996 -2.074 9.273 1.00 0.00 C ATOM 67 CD LYS A 5 1.994 -1.751 10.386 1.00 0.00 C ATOM 68 CE LYS A 5 1.375 -2.088 11.742 1.00 0.00 C ATOM 69 NZ LYS A 5 2.149 -1.409 12.819 1.00 0.00 N ATOM 0 H LYS A 5 -0.626 -2.744 6.541 1.00 0.00 H new ATOM 0 HA LYS A 5 2.151 -1.650 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.191 -4.019 8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.705 -3.150 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.687 -1.158 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.098 -2.525 9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.912 -2.321 10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.265 -0.696 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.334 -1.767 11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.380 -3.167 11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.730 -1.636 13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.136 -1.736 12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.122 -0.380 12.670 1.00 0.00 H new ATOM 83 N VAL A 6 2.803 -3.390 5.043 1.00 0.00 N ATOM 84 CA VAL A 6 3.187 -4.436 4.040 1.00 0.00 C ATOM 85 C VAL A 6 3.112 -5.848 4.593 1.00 0.00 C ATOM 86 O VAL A 6 3.609 -6.165 5.655 1.00 0.00 O ATOM 87 CB VAL A 6 4.633 -4.210 3.533 1.00 0.00 C ATOM 88 CG1 VAL A 6 5.278 -5.524 3.057 1.00 0.00 C ATOM 89 CG2 VAL A 6 4.607 -3.305 2.319 1.00 0.00 C ATOM 0 H VAL A 6 3.371 -2.543 5.025 1.00 0.00 H new ATOM 0 HA VAL A 6 2.465 -4.337 3.229 1.00 0.00 H new ATOM 0 HB VAL A 6 5.196 -3.784 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.292 -5.326 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.310 -6.234 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.689 -5.944 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.625 -3.146 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.015 -3.770 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.163 -2.347 2.589 1.00 0.00 H new ATOM 99 N LYS A 7 2.608 -6.709 3.772 1.00 0.00 N ATOM 100 CA LYS A 7 2.603 -8.151 4.088 1.00 0.00 C ATOM 101 C LYS A 7 3.788 -8.700 3.286 1.00 0.00 C ATOM 102 O LYS A 7 4.427 -9.669 3.647 1.00 0.00 O ATOM 103 CB LYS A 7 1.296 -8.797 3.625 1.00 0.00 C ATOM 104 CG LYS A 7 0.947 -9.965 4.552 1.00 0.00 C ATOM 105 CD LYS A 7 0.892 -11.261 3.741 1.00 0.00 C ATOM 106 CE LYS A 7 -0.336 -12.071 4.158 1.00 0.00 C ATOM 107 NZ LYS A 7 -0.118 -12.638 5.519 1.00 0.00 N ATOM 0 H LYS A 7 2.189 -6.468 2.874 1.00 0.00 H new ATOM 0 HA LYS A 7 2.683 -8.353 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.492 -8.061 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.396 -9.151 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.692 -10.050 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.013 -9.785 5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.847 -11.034 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.798 -11.844 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.222 -11.436 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.516 -12.873 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.953 -13.189 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.718 -13.257 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.033 -11.864 6.197 1.00 0.00 H new ATOM 121 N TRP A 8 4.087 -8.021 2.196 1.00 0.00 N ATOM 122 CA TRP A 8 5.225 -8.381 1.317 1.00 0.00 C ATOM 123 C TRP A 8 5.204 -7.376 0.148 1.00 0.00 C ATOM 124 O TRP A 8 4.146 -6.945 -0.276 1.00 0.00 O ATOM 125 CB TRP A 8 5.063 -9.818 0.797 1.00 0.00 C ATOM 126 CG TRP A 8 3.806 -9.903 0.007 1.00 0.00 C ATOM 127 CD1 TRP A 8 2.675 -10.539 0.392 1.00 0.00 C ATOM 128 CD2 TRP A 8 3.529 -9.319 -1.288 1.00 0.00 C ATOM 129 NE1 TRP A 8 1.715 -10.367 -0.588 1.00 0.00 N ATOM 130 CE2 TRP A 8 2.197 -9.617 -1.644 1.00 0.00 C ATOM 131 CE3 TRP A 8 4.302 -8.559 -2.178 1.00 0.00 C ATOM 132 CZ2 TRP A 8 1.652 -9.166 -2.844 1.00 0.00 C ATOM 133 CZ3 TRP A 8 3.758 -8.105 -3.373 1.00 0.00 C ATOM 134 CH2 TRP A 8 2.441 -8.402 -3.706 1.00 0.00 C ATOM 0 H TRP A 8 3.562 -7.205 1.880 1.00 0.00 H new ATOM 0 HA TRP A 8 6.172 -8.338 1.855 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.917 -10.094 0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 8 5.033 -10.520 1.630 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.544 -11.089 1.312 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.769 -10.746 -0.538 1.00 0.00 H new ATOM 0 HE3 TRP A 8 5.327 -8.325 -1.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.631 -9.404 -3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 4.362 -7.517 -4.048 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.027 -8.040 -4.635 1.00 0.00 H new ATOM 145 N PHE A 9 6.338 -6.975 -0.368 1.00 0.00 N ATOM 146 CA PHE A 9 6.340 -5.993 -1.504 1.00 0.00 C ATOM 147 C PHE A 9 6.895 -6.648 -2.776 1.00 0.00 C ATOM 148 O PHE A 9 7.793 -7.466 -2.734 1.00 0.00 O ATOM 149 CB PHE A 9 7.237 -4.802 -1.162 1.00 0.00 C ATOM 150 CG PHE A 9 6.583 -3.488 -1.539 1.00 0.00 C ATOM 151 CD1 PHE A 9 6.263 -3.221 -2.875 1.00 0.00 C ATOM 152 CD2 PHE A 9 6.313 -2.529 -0.555 1.00 0.00 C ATOM 153 CE1 PHE A 9 5.672 -2.002 -3.228 1.00 0.00 C ATOM 154 CE2 PHE A 9 5.723 -1.309 -0.908 1.00 0.00 C ATOM 155 CZ PHE A 9 5.402 -1.046 -2.244 1.00 0.00 C ATOM 0 H PHE A 9 7.260 -7.281 -0.057 1.00 0.00 H new ATOM 0 HA PHE A 9 5.313 -5.665 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.458 -4.806 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.188 -4.900 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.473 -3.958 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.560 -2.730 0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.425 -1.800 -4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.516 -0.570 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.946 -0.105 -2.515 1.00 0.00 H new ATOM 165 N ASN A 10 6.380 -6.252 -3.905 1.00 0.00 N ATOM 166 CA ASN A 10 6.865 -6.784 -5.212 1.00 0.00 C ATOM 167 C ASN A 10 7.195 -5.578 -6.094 1.00 0.00 C ATOM 168 O ASN A 10 6.942 -5.560 -7.284 1.00 0.00 O ATOM 169 CB ASN A 10 5.765 -7.626 -5.867 1.00 0.00 C ATOM 170 CG ASN A 10 5.807 -9.049 -5.308 1.00 0.00 C ATOM 171 OD1 ASN A 10 6.525 -9.325 -4.368 1.00 0.00 O ATOM 172 ND2 ASN A 10 5.060 -9.972 -5.852 1.00 0.00 N ATOM 0 H ASN A 10 5.627 -5.568 -3.980 1.00 0.00 H new ATOM 0 HA ASN A 10 7.743 -7.416 -5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.789 -7.179 -5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.903 -7.645 -6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.080 -10.924 -5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.457 -9.740 -6.641 1.00 0.00 H new ATOM 179 N SER A 11 7.732 -4.556 -5.486 1.00 0.00 N ATOM 180 CA SER A 11 8.071 -3.305 -6.225 1.00 0.00 C ATOM 181 C SER A 11 8.627 -3.643 -7.611 1.00 0.00 C ATOM 182 O SER A 11 8.187 -3.115 -8.612 1.00 0.00 O ATOM 183 CB SER A 11 9.120 -2.521 -5.435 1.00 0.00 C ATOM 184 OG SER A 11 10.144 -3.406 -5.001 1.00 0.00 O ATOM 0 H SER A 11 7.954 -4.534 -4.491 1.00 0.00 H new ATOM 0 HA SER A 11 7.169 -2.705 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.545 -1.733 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.656 -2.035 -4.577 1.00 0.00 H new ATOM 0 HG SER A 11 10.818 -2.904 -4.496 1.00 0.00 H new ATOM 190 N GLU A 12 9.602 -4.508 -7.672 1.00 0.00 N ATOM 191 CA GLU A 12 10.202 -4.873 -8.988 1.00 0.00 C ATOM 192 C GLU A 12 9.137 -5.471 -9.909 1.00 0.00 C ATOM 193 O GLU A 12 9.049 -5.136 -11.073 1.00 0.00 O ATOM 194 CB GLU A 12 11.304 -5.907 -8.766 1.00 0.00 C ATOM 195 CG GLU A 12 12.400 -5.304 -7.886 1.00 0.00 C ATOM 196 CD GLU A 12 13.588 -4.894 -8.759 1.00 0.00 C ATOM 197 OE1 GLU A 12 13.519 -3.832 -9.357 1.00 0.00 O ATOM 198 OE2 GLU A 12 14.546 -5.646 -8.814 1.00 0.00 O ATOM 0 H GLU A 12 10.011 -4.979 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 12 10.613 -3.976 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.891 -6.798 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.722 -6.220 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.014 -4.438 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.719 -6.028 -7.136 1.00 0.00 H new ATOM 205 N LYS A 13 8.341 -6.368 -9.400 1.00 0.00 N ATOM 206 CA LYS A 13 7.294 -7.008 -10.250 1.00 0.00 C ATOM 207 C LYS A 13 6.182 -6.006 -10.589 1.00 0.00 C ATOM 208 O LYS A 13 5.251 -6.326 -11.302 1.00 0.00 O ATOM 209 CB LYS A 13 6.705 -8.208 -9.511 1.00 0.00 C ATOM 210 CG LYS A 13 7.488 -9.468 -9.882 1.00 0.00 C ATOM 211 CD LYS A 13 8.866 -9.425 -9.217 1.00 0.00 C ATOM 212 CE LYS A 13 9.709 -10.606 -9.705 1.00 0.00 C ATOM 213 NZ LYS A 13 10.011 -11.508 -8.558 1.00 0.00 N ATOM 0 H LYS A 13 8.368 -6.687 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 13 7.752 -7.339 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.749 -8.043 -8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.654 -8.330 -9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.944 -10.356 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.596 -9.537 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.366 -8.486 -9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.759 -9.465 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.173 -11.153 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.636 -10.245 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.584 -12.311 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.539 -10.982 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.122 -11.862 -8.151 1.00 0.00 H new ATOM 227 N GLY A 14 6.284 -4.789 -10.126 1.00 0.00 N ATOM 228 CA GLY A 14 5.242 -3.775 -10.477 1.00 0.00 C ATOM 229 C GLY A 14 4.376 -3.352 -9.273 1.00 0.00 C ATOM 230 O GLY A 14 3.525 -2.497 -9.414 1.00 0.00 O ATOM 0 H GLY A 14 7.036 -4.453 -9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.728 -2.893 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.597 -4.181 -11.256 1.00 0.00 H new ATOM 234 N PHE A 15 4.547 -3.911 -8.100 1.00 0.00 N ATOM 235 CA PHE A 15 3.671 -3.462 -6.969 1.00 0.00 C ATOM 236 C PHE A 15 3.953 -4.248 -5.683 1.00 0.00 C ATOM 237 O PHE A 15 4.745 -5.159 -5.662 1.00 0.00 O ATOM 238 CB PHE A 15 2.208 -3.662 -7.370 1.00 0.00 C ATOM 239 CG PHE A 15 2.070 -4.957 -8.138 1.00 0.00 C ATOM 240 CD1 PHE A 15 2.545 -6.156 -7.590 1.00 0.00 C ATOM 241 CD2 PHE A 15 1.469 -4.956 -9.402 1.00 0.00 C ATOM 242 CE1 PHE A 15 2.419 -7.351 -8.308 1.00 0.00 C ATOM 243 CE2 PHE A 15 1.343 -6.151 -10.120 1.00 0.00 C ATOM 244 CZ PHE A 15 1.818 -7.349 -9.572 1.00 0.00 C ATOM 0 H PHE A 15 5.231 -4.635 -7.878 1.00 0.00 H new ATOM 0 HA PHE A 15 3.881 -2.411 -6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.576 -3.684 -6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.870 -2.826 -7.982 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.008 -6.158 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.102 -4.032 -9.824 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.786 -8.275 -7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.880 -6.149 -11.096 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.721 -8.272 -10.125 1.00 0.00 H new ATOM 254 N GLY A 16 3.284 -3.895 -4.612 1.00 0.00 N ATOM 255 CA GLY A 16 3.472 -4.604 -3.308 1.00 0.00 C ATOM 256 C GLY A 16 2.094 -4.707 -2.628 1.00 0.00 C ATOM 257 O GLY A 16 1.206 -3.935 -2.928 1.00 0.00 O ATOM 0 H GLY A 16 2.605 -3.134 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.894 -5.596 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.172 -4.059 -2.674 1.00 0.00 H new ATOM 261 N PHE A 17 1.874 -5.643 -1.734 1.00 0.00 N ATOM 262 CA PHE A 17 0.538 -5.733 -1.100 1.00 0.00 C ATOM 263 C PHE A 17 0.633 -5.320 0.374 1.00 0.00 C ATOM 264 O PHE A 17 1.560 -5.669 1.082 1.00 0.00 O ATOM 265 CB PHE A 17 0.033 -7.174 -1.219 1.00 0.00 C ATOM 266 CG PHE A 17 -0.583 -7.403 -2.584 1.00 0.00 C ATOM 267 CD1 PHE A 17 0.061 -6.954 -3.742 1.00 0.00 C ATOM 268 CD2 PHE A 17 -1.811 -8.069 -2.683 1.00 0.00 C ATOM 269 CE1 PHE A 17 -0.521 -7.171 -4.997 1.00 0.00 C ATOM 270 CE2 PHE A 17 -2.392 -8.287 -3.937 1.00 0.00 C ATOM 271 CZ PHE A 17 -1.748 -7.838 -5.095 1.00 0.00 C ATOM 0 H PHE A 17 2.557 -6.335 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.159 -5.061 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.857 -7.870 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.704 -7.374 -0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.008 -6.440 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.310 -8.415 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.023 -6.824 -5.890 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.338 -8.802 -4.011 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.197 -8.006 -6.063 1.00 0.00 H new ATOM 281 N ILE A 18 -0.345 -4.596 0.833 1.00 0.00 N ATOM 282 CA ILE A 18 -0.377 -4.153 2.255 1.00 0.00 C ATOM 283 C ILE A 18 -1.440 -4.987 2.945 1.00 0.00 C ATOM 284 O ILE A 18 -2.386 -5.421 2.333 1.00 0.00 O ATOM 285 CB ILE A 18 -0.810 -2.664 2.367 1.00 0.00 C ATOM 286 CG1 ILE A 18 0.390 -1.724 2.325 1.00 0.00 C ATOM 287 CG2 ILE A 18 -1.528 -2.416 3.702 1.00 0.00 C ATOM 288 CD1 ILE A 18 0.053 -0.520 1.443 1.00 0.00 C ATOM 0 H ILE A 18 -1.139 -4.286 0.274 1.00 0.00 H new ATOM 0 HA ILE A 18 0.613 -4.267 2.697 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.468 -2.466 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.644 -1.393 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.263 -2.246 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.825 -1.369 3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.413 -3.049 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.856 -2.653 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.907 0.156 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.180 -0.862 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.809 0.004 1.857 1.00 0.00 H new ATOM 300 N GLU A 19 -1.306 -5.190 4.209 1.00 0.00 N ATOM 301 CA GLU A 19 -2.334 -5.967 4.945 1.00 0.00 C ATOM 302 C GLU A 19 -2.771 -5.161 6.167 1.00 0.00 C ATOM 303 O GLU A 19 -1.944 -4.581 6.862 1.00 0.00 O ATOM 304 CB GLU A 19 -1.746 -7.306 5.394 1.00 0.00 C ATOM 305 CG GLU A 19 -2.774 -8.417 5.164 1.00 0.00 C ATOM 306 CD GLU A 19 -3.383 -8.835 6.504 1.00 0.00 C ATOM 307 OE1 GLU A 19 -4.193 -8.085 7.024 1.00 0.00 O ATOM 308 OE2 GLU A 19 -3.031 -9.900 6.986 1.00 0.00 O ATOM 0 H GLU A 19 -0.527 -4.853 4.775 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.190 -6.157 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.833 -7.519 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.473 -7.261 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.557 -8.069 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.299 -9.273 4.686 1.00 0.00 H new ATOM 315 N VAL A 20 -4.058 -5.086 6.439 1.00 0.00 N ATOM 316 CA VAL A 20 -4.482 -4.301 7.637 1.00 0.00 C ATOM 317 C VAL A 20 -5.558 -5.038 8.438 1.00 0.00 C ATOM 318 O VAL A 20 -6.471 -5.646 7.906 1.00 0.00 O ATOM 319 CB VAL A 20 -4.994 -2.928 7.216 1.00 0.00 C ATOM 320 CG1 VAL A 20 -6.280 -3.090 6.417 1.00 0.00 C ATOM 321 CG2 VAL A 20 -5.272 -2.084 8.462 1.00 0.00 C ATOM 0 H VAL A 20 -4.807 -5.521 5.900 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.609 -4.178 8.278 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.243 -2.433 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.647 -2.109 6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.084 -3.692 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.031 -3.585 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.638 -1.102 8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.024 -2.579 9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.353 -1.969 9.036 1.00 0.00 H new ATOM 331 N GLU A 21 -5.439 -4.968 9.733 1.00 0.00 N ATOM 332 CA GLU A 21 -6.416 -5.641 10.634 1.00 0.00 C ATOM 333 C GLU A 21 -7.785 -4.991 10.473 1.00 0.00 C ATOM 334 O GLU A 21 -7.899 -3.790 10.331 1.00 0.00 O ATOM 335 CB GLU A 21 -5.955 -5.504 12.086 1.00 0.00 C ATOM 336 CG GLU A 21 -4.667 -6.305 12.290 1.00 0.00 C ATOM 337 CD GLU A 21 -3.533 -5.359 12.684 1.00 0.00 C ATOM 338 OE1 GLU A 21 -3.018 -4.686 11.807 1.00 0.00 O ATOM 339 OE2 GLU A 21 -3.198 -5.323 13.856 1.00 0.00 O ATOM 0 H GLU A 21 -4.694 -4.465 10.214 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.480 -6.697 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.785 -4.455 12.327 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.731 -5.865 12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.813 -7.057 13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.409 -6.837 11.375 1.00 0.00 H new ATOM 346 N GLY A 22 -8.825 -5.776 10.478 1.00 0.00 N ATOM 347 CA GLY A 22 -10.185 -5.201 10.306 1.00 0.00 C ATOM 348 C GLY A 22 -10.436 -4.958 8.817 1.00 0.00 C ATOM 349 O GLY A 22 -11.541 -4.670 8.403 1.00 0.00 O ATOM 0 H GLY A 22 -8.791 -6.789 10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.935 -5.881 10.709 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.272 -4.266 10.860 1.00 0.00 H new ATOM 353 N GLN A 23 -9.416 -5.076 8.003 1.00 0.00 N ATOM 354 CA GLN A 23 -9.599 -4.857 6.550 1.00 0.00 C ATOM 355 C GLN A 23 -8.821 -5.927 5.790 1.00 0.00 C ATOM 356 O GLN A 23 -8.285 -6.851 6.367 1.00 0.00 O ATOM 357 CB GLN A 23 -9.087 -3.465 6.175 1.00 0.00 C ATOM 358 CG GLN A 23 -10.275 -2.552 5.862 1.00 0.00 C ATOM 359 CD GLN A 23 -11.009 -3.068 4.623 1.00 0.00 C ATOM 360 OE1 GLN A 23 -10.392 -3.391 3.628 1.00 0.00 O ATOM 361 NE2 GLN A 23 -12.310 -3.158 4.642 1.00 0.00 N ATOM 0 H GLN A 23 -8.467 -5.315 8.290 1.00 0.00 H new ATOM 0 HA GLN A 23 -10.656 -4.923 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.500 -3.049 6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.426 -3.529 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.956 -2.520 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.928 -1.533 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -12.828 -2.887 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.810 -3.500 3.821 1.00 0.00 H new ATOM 370 N ASP A 24 -8.773 -5.819 4.499 1.00 0.00 N ATOM 371 CA ASP A 24 -8.052 -6.837 3.689 1.00 0.00 C ATOM 372 C ASP A 24 -6.665 -6.323 3.281 1.00 0.00 C ATOM 373 O ASP A 24 -6.152 -5.341 3.810 1.00 0.00 O ATOM 374 CB ASP A 24 -8.875 -7.145 2.432 1.00 0.00 C ATOM 375 CG ASP A 24 -10.127 -7.935 2.820 1.00 0.00 C ATOM 376 OD1 ASP A 24 -9.993 -9.113 3.105 1.00 0.00 O ATOM 377 OD2 ASP A 24 -11.197 -7.349 2.822 1.00 0.00 O ATOM 0 H ASP A 24 -9.204 -5.066 3.963 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.922 -7.740 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.158 -6.218 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.276 -7.718 1.724 1.00 0.00 H new ATOM 382 N ASP A 25 -6.048 -7.015 2.358 1.00 0.00 N ATOM 383 CA ASP A 25 -4.706 -6.614 1.861 1.00 0.00 C ATOM 384 C ASP A 25 -4.831 -5.366 0.964 1.00 0.00 C ATOM 385 O ASP A 25 -5.305 -5.457 -0.151 1.00 0.00 O ATOM 386 CB ASP A 25 -4.104 -7.765 1.053 1.00 0.00 C ATOM 387 CG ASP A 25 -2.900 -8.338 1.802 1.00 0.00 C ATOM 388 OD1 ASP A 25 -1.886 -7.661 1.861 1.00 0.00 O ATOM 389 OD2 ASP A 25 -3.011 -9.444 2.306 1.00 0.00 O ATOM 0 H ASP A 25 -6.428 -7.855 1.923 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.061 -6.381 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.851 -8.543 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.799 -7.412 0.068 1.00 0.00 H new ATOM 394 N VAL A 26 -4.401 -4.210 1.404 1.00 0.00 N ATOM 395 CA VAL A 26 -4.500 -3.006 0.515 1.00 0.00 C ATOM 396 C VAL A 26 -3.496 -3.085 -0.628 1.00 0.00 C ATOM 397 O VAL A 26 -2.307 -3.036 -0.427 1.00 0.00 O ATOM 398 CB VAL A 26 -4.265 -1.718 1.316 1.00 0.00 C ATOM 399 CG1 VAL A 26 -3.699 -0.618 0.408 1.00 0.00 C ATOM 400 CG2 VAL A 26 -5.611 -1.227 1.821 1.00 0.00 C ATOM 0 H VAL A 26 -3.992 -4.046 2.324 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.507 -2.988 0.097 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.568 -1.927 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.538 0.288 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.751 -0.949 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.405 -0.411 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.472 -0.311 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.267 -1.029 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.061 -1.989 2.458 1.00 0.00 H new ATOM 410 N PHE A 27 -3.971 -3.145 -1.833 1.00 0.00 N ATOM 411 CA PHE A 27 -3.032 -3.170 -2.986 1.00 0.00 C ATOM 412 C PHE A 27 -2.096 -1.970 -2.843 1.00 0.00 C ATOM 413 O PHE A 27 -2.505 -0.913 -2.405 1.00 0.00 O ATOM 414 CB PHE A 27 -3.822 -3.063 -4.292 1.00 0.00 C ATOM 415 CG PHE A 27 -2.981 -3.576 -5.436 1.00 0.00 C ATOM 416 CD1 PHE A 27 -1.832 -2.880 -5.827 1.00 0.00 C ATOM 417 CD2 PHE A 27 -3.350 -4.749 -6.106 1.00 0.00 C ATOM 418 CE1 PHE A 27 -1.052 -3.354 -6.887 1.00 0.00 C ATOM 419 CE2 PHE A 27 -2.570 -5.225 -7.167 1.00 0.00 C ATOM 420 CZ PHE A 27 -1.421 -4.526 -7.558 1.00 0.00 C ATOM 0 H PHE A 27 -4.962 -3.178 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.462 -4.099 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.745 -3.639 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.107 -2.026 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.547 -1.976 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.237 -5.287 -5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.165 -2.816 -7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.854 -6.130 -7.683 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.820 -4.891 -8.377 1.00 0.00 H new ATOM 430 N VAL A 28 -0.845 -2.113 -3.181 1.00 0.00 N ATOM 431 CA VAL A 28 0.082 -0.959 -3.022 1.00 0.00 C ATOM 432 C VAL A 28 0.950 -0.819 -4.276 1.00 0.00 C ATOM 433 O VAL A 28 1.180 -1.769 -4.995 1.00 0.00 O ATOM 434 CB VAL A 28 0.954 -1.167 -1.754 1.00 0.00 C ATOM 435 CG1 VAL A 28 0.278 -2.174 -0.822 1.00 0.00 C ATOM 436 CG2 VAL A 28 2.356 -1.692 -2.115 1.00 0.00 C ATOM 0 H VAL A 28 -0.429 -2.966 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.488 -0.038 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 28 1.058 -0.201 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.893 -2.317 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.702 -1.797 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.160 -3.126 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.940 -1.826 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.265 -2.647 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.857 -0.974 -2.765 1.00 0.00 H new ATOM 446 N HIS A 29 1.431 0.360 -4.537 1.00 0.00 N ATOM 447 CA HIS A 29 2.288 0.570 -5.731 1.00 0.00 C ATOM 448 C HIS A 29 3.264 1.702 -5.429 1.00 0.00 C ATOM 449 O HIS A 29 2.981 2.576 -4.633 1.00 0.00 O ATOM 450 CB HIS A 29 1.413 0.950 -6.929 1.00 0.00 C ATOM 451 CG HIS A 29 2.136 0.620 -8.207 1.00 0.00 C ATOM 452 ND1 HIS A 29 1.635 0.970 -9.450 1.00 0.00 N ATOM 453 CD2 HIS A 29 3.321 -0.029 -8.449 1.00 0.00 C ATOM 454 CE1 HIS A 29 2.509 0.534 -10.376 1.00 0.00 C ATOM 455 NE2 HIS A 29 3.556 -0.082 -9.819 1.00 0.00 N ATOM 0 H HIS A 29 1.266 1.192 -3.971 1.00 0.00 H new ATOM 0 HA HIS A 29 2.835 -0.343 -5.968 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.466 0.412 -6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.177 2.014 -6.897 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.973 -0.437 -7.690 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.380 0.666 -11.440 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.355 -0.501 -10.295 1.00 0.00 H new ATOM 463 N PHE A 30 4.409 1.707 -6.050 1.00 0.00 N ATOM 464 CA PHE A 30 5.389 2.798 -5.786 1.00 0.00 C ATOM 465 C PHE A 30 5.002 4.054 -6.581 1.00 0.00 C ATOM 466 O PHE A 30 5.843 4.862 -6.921 1.00 0.00 O ATOM 467 CB PHE A 30 6.778 2.339 -6.221 1.00 0.00 C ATOM 468 CG PHE A 30 6.708 1.885 -7.656 1.00 0.00 C ATOM 469 CD1 PHE A 30 6.751 2.828 -8.688 1.00 0.00 C ATOM 470 CD2 PHE A 30 6.586 0.524 -7.954 1.00 0.00 C ATOM 471 CE1 PHE A 30 6.676 2.412 -10.019 1.00 0.00 C ATOM 472 CE2 PHE A 30 6.509 0.106 -9.286 1.00 0.00 C ATOM 473 CZ PHE A 30 6.554 1.049 -10.320 1.00 0.00 C ATOM 0 H PHE A 30 4.709 1.006 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 30 5.388 3.032 -4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.495 3.153 -6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.124 1.525 -5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.842 3.879 -8.455 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.551 -0.203 -7.156 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.712 3.140 -10.816 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.415 -0.945 -9.517 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.495 0.726 -11.349 1.00 0.00 H new ATOM 483 N SER A 31 3.740 4.232 -6.876 1.00 0.00 N ATOM 484 CA SER A 31 3.315 5.431 -7.637 1.00 0.00 C ATOM 485 C SER A 31 2.386 6.272 -6.750 1.00 0.00 C ATOM 486 O SER A 31 2.497 7.480 -6.671 1.00 0.00 O ATOM 487 CB SER A 31 2.554 4.991 -8.890 1.00 0.00 C ATOM 488 OG SER A 31 3.192 5.533 -10.040 1.00 0.00 O ATOM 0 H SER A 31 2.988 3.593 -6.619 1.00 0.00 H new ATOM 0 HA SER A 31 4.187 6.017 -7.928 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.530 3.903 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.519 5.331 -8.840 1.00 0.00 H new ATOM 0 HG SER A 31 2.709 5.252 -10.845 1.00 0.00 H new ATOM 494 N ALA A 32 1.475 5.618 -6.075 1.00 0.00 N ATOM 495 CA ALA A 32 0.522 6.326 -5.169 1.00 0.00 C ATOM 496 C ALA A 32 1.066 6.280 -3.742 1.00 0.00 C ATOM 497 O ALA A 32 1.124 7.272 -3.045 1.00 0.00 O ATOM 498 CB ALA A 32 -0.857 5.640 -5.209 1.00 0.00 C ATOM 0 H ALA A 32 1.350 4.606 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 32 0.414 7.360 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.544 6.165 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.246 5.665 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.758 4.604 -4.884 1.00 0.00 H new ATOM 504 N ILE A 33 1.446 5.108 -3.308 1.00 0.00 N ATOM 505 CA ILE A 33 1.971 4.932 -1.927 1.00 0.00 C ATOM 506 C ILE A 33 3.037 5.979 -1.627 1.00 0.00 C ATOM 507 O ILE A 33 3.228 6.372 -0.493 1.00 0.00 O ATOM 508 CB ILE A 33 2.600 3.539 -1.810 1.00 0.00 C ATOM 509 CG1 ILE A 33 1.499 2.469 -1.841 1.00 0.00 C ATOM 510 CG2 ILE A 33 3.399 3.436 -0.505 1.00 0.00 C ATOM 511 CD1 ILE A 33 0.875 2.313 -0.453 1.00 0.00 C ATOM 0 H ILE A 33 1.413 4.253 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 33 1.151 5.044 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 33 3.275 3.378 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.732 2.747 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.916 1.517 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.843 2.444 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.188 4.188 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.734 3.603 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.096 1.552 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.643 2.014 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.441 3.263 -0.141 1.00 0.00 H new ATOM 698 N ALA A 46 4.970 1.261 6.459 1.00 0.00 N ATOM 699 CA ALA A 46 3.746 1.639 7.214 1.00 0.00 C ATOM 700 C ALA A 46 3.132 2.824 6.470 1.00 0.00 C ATOM 701 O ALA A 46 3.726 3.883 6.410 1.00 0.00 O ATOM 702 CB ALA A 46 4.118 2.054 8.638 1.00 0.00 C ATOM 0 HA ALA A 46 3.047 0.805 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.216 2.329 9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.608 1.222 9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.796 2.907 8.603 1.00 0.00 H new ATOM 708 N VAL A 47 1.989 2.680 5.871 1.00 0.00 N ATOM 709 CA VAL A 47 1.444 3.847 5.118 1.00 0.00 C ATOM 710 C VAL A 47 -0.003 4.142 5.504 1.00 0.00 C ATOM 711 O VAL A 47 -0.688 3.335 6.080 1.00 0.00 O ATOM 712 CB VAL A 47 1.521 3.556 3.623 1.00 0.00 C ATOM 713 CG1 VAL A 47 2.978 3.630 3.165 1.00 0.00 C ATOM 714 CG2 VAL A 47 0.971 2.159 3.349 1.00 0.00 C ATOM 0 H VAL A 47 1.419 1.834 5.865 1.00 0.00 H new ATOM 0 HA VAL A 47 2.042 4.723 5.368 1.00 0.00 H new ATOM 0 HB VAL A 47 0.931 4.292 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.035 3.422 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.371 4.627 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.568 2.893 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.025 1.950 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.561 1.422 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.067 2.106 3.677 1.00 0.00 H new ATOM 724 N SER A 48 -0.467 5.305 5.161 1.00 0.00 N ATOM 725 CA SER A 48 -1.864 5.686 5.466 1.00 0.00 C ATOM 726 C SER A 48 -2.586 5.888 4.143 1.00 0.00 C ATOM 727 O SER A 48 -2.072 6.518 3.238 1.00 0.00 O ATOM 728 CB SER A 48 -1.879 6.988 6.268 1.00 0.00 C ATOM 729 OG SER A 48 -1.984 8.089 5.374 1.00 0.00 O ATOM 0 H SER A 48 0.074 6.019 4.673 1.00 0.00 H new ATOM 0 HA SER A 48 -2.354 4.911 6.055 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.717 6.990 6.965 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.969 7.073 6.863 1.00 0.00 H new ATOM 0 HG SER A 48 -1.995 8.925 5.885 1.00 0.00 H new ATOM 735 N PHE A 49 -3.756 5.352 4.004 1.00 0.00 N ATOM 736 CA PHE A 49 -4.480 5.514 2.721 1.00 0.00 C ATOM 737 C PHE A 49 -5.979 5.417 2.960 1.00 0.00 C ATOM 738 O PHE A 49 -6.442 5.199 4.063 1.00 0.00 O ATOM 739 CB PHE A 49 -4.060 4.401 1.758 1.00 0.00 C ATOM 740 CG PHE A 49 -4.220 3.060 2.443 1.00 0.00 C ATOM 741 CD1 PHE A 49 -5.501 2.592 2.740 1.00 0.00 C ATOM 742 CD2 PHE A 49 -3.099 2.285 2.776 1.00 0.00 C ATOM 743 CE1 PHE A 49 -5.672 1.356 3.372 1.00 0.00 C ATOM 744 CE2 PHE A 49 -3.273 1.044 3.407 1.00 0.00 C ATOM 745 CZ PHE A 49 -4.560 0.581 3.705 1.00 0.00 C ATOM 0 H PHE A 49 -4.243 4.811 4.718 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.239 6.488 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.670 4.436 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.024 4.543 1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.364 3.187 2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.106 2.642 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.666 1.001 3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.412 0.445 3.663 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.692 -0.374 4.192 1.00 0.00 H new ATOM 755 N GLU A 50 -6.733 5.576 1.921 1.00 0.00 N ATOM 756 CA GLU A 50 -8.207 5.489 2.036 1.00 0.00 C ATOM 757 C GLU A 50 -8.729 4.365 1.126 1.00 0.00 C ATOM 758 O GLU A 50 -8.982 4.575 -0.043 1.00 0.00 O ATOM 759 CB GLU A 50 -8.827 6.819 1.601 1.00 0.00 C ATOM 760 CG GLU A 50 -9.662 7.391 2.749 1.00 0.00 C ATOM 761 CD GLU A 50 -11.084 6.831 2.673 1.00 0.00 C ATOM 762 OE1 GLU A 50 -11.263 5.677 3.023 1.00 0.00 O ATOM 763 OE2 GLU A 50 -11.968 7.565 2.264 1.00 0.00 O ATOM 0 H GLU A 50 -6.387 5.766 0.981 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.479 5.276 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.044 7.523 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.452 6.671 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.209 7.133 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.684 8.479 2.690 1.00 0.00 H new ATOM 770 N ILE A 51 -8.893 3.174 1.648 1.00 0.00 N ATOM 771 CA ILE A 51 -9.400 2.054 0.803 1.00 0.00 C ATOM 772 C ILE A 51 -10.807 2.390 0.293 1.00 0.00 C ATOM 773 O ILE A 51 -11.717 2.668 1.048 1.00 0.00 O ATOM 774 CB ILE A 51 -9.477 0.774 1.643 1.00 0.00 C ATOM 775 CG1 ILE A 51 -8.118 0.093 1.716 1.00 0.00 C ATOM 776 CG2 ILE A 51 -10.487 -0.213 1.045 1.00 0.00 C ATOM 777 CD1 ILE A 51 -8.155 -0.942 2.846 1.00 0.00 C ATOM 0 H ILE A 51 -8.698 2.932 2.619 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.724 1.909 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.797 1.062 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.884 -0.390 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.335 0.828 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -10.523 -1.113 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.474 0.248 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.182 -0.477 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.188 -1.441 2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.372 -0.442 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.930 -1.679 2.639 1.00 0.00 H new ATOM 789 N VAL A 52 -10.972 2.331 -0.995 1.00 0.00 N ATOM 790 CA VAL A 52 -12.272 2.596 -1.631 1.00 0.00 C ATOM 791 C VAL A 52 -12.812 1.247 -2.088 1.00 0.00 C ATOM 792 O VAL A 52 -12.202 0.227 -1.832 1.00 0.00 O ATOM 793 CB VAL A 52 -12.047 3.516 -2.838 1.00 0.00 C ATOM 794 CG1 VAL A 52 -11.191 4.707 -2.411 1.00 0.00 C ATOM 795 CG2 VAL A 52 -11.301 2.753 -3.937 1.00 0.00 C ATOM 0 H VAL A 52 -10.226 2.101 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.974 3.080 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.012 3.857 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.029 5.363 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.702 5.258 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.230 4.350 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.143 3.409 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.337 2.416 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.891 1.890 -4.246 1.00 0.00 H new ATOM 805 N GLU A 53 -13.926 1.212 -2.756 1.00 0.00 N ATOM 806 CA GLU A 53 -14.461 -0.103 -3.208 1.00 0.00 C ATOM 807 C GLU A 53 -14.666 -0.079 -4.720 1.00 0.00 C ATOM 808 O GLU A 53 -15.504 0.638 -5.229 1.00 0.00 O ATOM 809 CB GLU A 53 -15.797 -0.376 -2.516 1.00 0.00 C ATOM 810 CG GLU A 53 -15.650 -0.152 -1.010 1.00 0.00 C ATOM 811 CD GLU A 53 -16.862 -0.736 -0.283 1.00 0.00 C ATOM 812 OE1 GLU A 53 -17.965 -0.558 -0.772 1.00 0.00 O ATOM 813 OE2 GLU A 53 -16.667 -1.351 0.753 1.00 0.00 O ATOM 0 H GLU A 53 -14.487 2.026 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.752 -0.890 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.567 0.282 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.117 -1.399 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.736 -0.623 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.565 0.914 -0.797 1.00 0.00 H new ATOM 820 N GLY A 54 -13.912 -0.860 -5.445 1.00 0.00 N ATOM 821 CA GLY A 54 -14.078 -0.878 -6.923 1.00 0.00 C ATOM 822 C GLY A 54 -14.345 -2.309 -7.369 1.00 0.00 C ATOM 823 O GLY A 54 -14.270 -3.223 -6.586 1.00 0.00 O ATOM 0 H GLY A 54 -13.192 -1.483 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.904 -0.230 -7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.181 -0.492 -7.408 1.00 0.00 H new ATOM 827 N ASN A 55 -14.696 -2.505 -8.605 1.00 0.00 N ATOM 828 CA ASN A 55 -15.006 -3.893 -9.092 1.00 0.00 C ATOM 829 C ASN A 55 -14.073 -4.986 -8.483 1.00 0.00 C ATOM 830 O ASN A 55 -14.558 -5.983 -7.986 1.00 0.00 O ATOM 831 CB ASN A 55 -14.867 -3.922 -10.616 1.00 0.00 C ATOM 832 CG ASN A 55 -16.232 -4.201 -11.250 1.00 0.00 C ATOM 833 OD1 ASN A 55 -16.431 -5.233 -11.861 1.00 0.00 O ATOM 834 ND2 ASN A 55 -17.186 -3.319 -11.131 1.00 0.00 N ATOM 0 H ASN A 55 -14.785 -1.770 -9.307 1.00 0.00 H new ATOM 0 HA ASN A 55 -16.022 -4.125 -8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -14.476 -2.970 -10.974 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -14.153 -4.691 -10.912 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.099 -3.495 -11.551 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.019 -2.453 -10.618 1.00 0.00 H new ATOM 841 N ARG A 56 -12.756 -4.856 -8.536 1.00 0.00 N ATOM 842 CA ARG A 56 -11.866 -5.933 -7.988 1.00 0.00 C ATOM 843 C ARG A 56 -11.794 -5.909 -6.451 1.00 0.00 C ATOM 844 O ARG A 56 -10.857 -6.421 -5.871 1.00 0.00 O ATOM 845 CB ARG A 56 -10.457 -5.747 -8.553 1.00 0.00 C ATOM 846 CG ARG A 56 -10.381 -6.367 -9.951 1.00 0.00 C ATOM 847 CD ARG A 56 -8.940 -6.301 -10.463 1.00 0.00 C ATOM 848 NE ARG A 56 -8.294 -7.635 -10.310 1.00 0.00 N ATOM 849 CZ ARG A 56 -7.187 -7.904 -10.949 1.00 0.00 C ATOM 850 NH1 ARG A 56 -6.638 -7.003 -11.719 1.00 0.00 N ATOM 851 NH2 ARG A 56 -6.628 -9.075 -10.819 1.00 0.00 N ATOM 0 H ARG A 56 -12.268 -4.053 -8.934 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.287 -6.893 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.210 -4.686 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.725 -6.216 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.720 -7.403 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.045 -5.835 -10.633 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.929 -5.998 -11.510 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.380 -5.549 -9.908 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.717 -8.339 -9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.074 -6.087 -11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.774 -7.216 -12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.055 -9.780 -10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.764 -9.286 -11.318 1.00 0.00 H new ATOM 865 N GLY A 57 -12.758 -5.345 -5.780 1.00 0.00 N ATOM 866 CA GLY A 57 -12.704 -5.332 -4.287 1.00 0.00 C ATOM 867 C GLY A 57 -12.187 -3.975 -3.774 1.00 0.00 C ATOM 868 O GLY A 57 -11.873 -3.094 -4.557 1.00 0.00 O ATOM 0 H GLY A 57 -13.575 -4.896 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.696 -5.526 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.053 -6.132 -3.934 1.00 0.00 H new ATOM 872 N PRO A 58 -12.110 -3.849 -2.462 1.00 0.00 N ATOM 873 CA PRO A 58 -11.612 -2.616 -1.819 1.00 0.00 C ATOM 874 C PRO A 58 -10.109 -2.454 -2.077 1.00 0.00 C ATOM 875 O PRO A 58 -9.400 -3.422 -2.269 1.00 0.00 O ATOM 876 CB PRO A 58 -11.868 -2.822 -0.321 1.00 0.00 C ATOM 877 CG PRO A 58 -12.387 -4.269 -0.127 1.00 0.00 C ATOM 878 CD PRO A 58 -12.536 -4.903 -1.518 1.00 0.00 C ATOM 0 HA PRO A 58 -12.104 -1.723 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.952 -2.664 0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.599 -2.101 0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.692 -4.846 0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.343 -4.265 0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.916 -5.794 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -13.565 -5.209 -1.705 1.00 0.00 H new ATOM 886 N GLN A 59 -9.613 -1.242 -2.092 1.00 0.00 N ATOM 887 CA GLN A 59 -8.146 -1.049 -2.347 1.00 0.00 C ATOM 888 C GLN A 59 -7.692 0.377 -2.000 1.00 0.00 C ATOM 889 O GLN A 59 -8.429 1.328 -2.159 1.00 0.00 O ATOM 890 CB GLN A 59 -7.873 -1.286 -3.831 1.00 0.00 C ATOM 891 CG GLN A 59 -6.779 -2.341 -3.991 1.00 0.00 C ATOM 892 CD GLN A 59 -6.591 -2.660 -5.475 1.00 0.00 C ATOM 893 OE1 GLN A 59 -6.269 -3.871 -5.835 1.00 0.00 O flip ATOM 894 NE2 GLN A 59 -6.741 -1.796 -6.318 1.00 0.00 N flip ATOM 0 H GLN A 59 -10.148 -0.387 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.598 -1.752 -1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.784 -1.615 -4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.566 -0.355 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.844 -1.978 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.048 -3.245 -3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.993 -0.848 -6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.615 -2.019 -7.305 1.00 0.00 H new ATOM 903 N ALA A 60 -6.456 0.538 -1.582 1.00 0.00 N ATOM 904 CA ALA A 60 -5.943 1.912 -1.294 1.00 0.00 C ATOM 905 C ALA A 60 -5.561 2.539 -2.639 1.00 0.00 C ATOM 906 O ALA A 60 -5.307 1.833 -3.596 1.00 0.00 O ATOM 907 CB ALA A 60 -4.773 1.856 -0.323 1.00 0.00 C ATOM 0 H ALA A 60 -5.788 -0.218 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.701 2.526 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.414 2.866 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.097 1.398 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.968 1.263 -0.757 1.00 0.00 H new ATOM 913 N ALA A 61 -5.575 3.841 -2.762 1.00 0.00 N ATOM 914 CA ALA A 61 -5.271 4.439 -4.114 1.00 0.00 C ATOM 915 C ALA A 61 -4.302 5.608 -4.007 1.00 0.00 C ATOM 916 O ALA A 61 -3.413 5.778 -4.817 1.00 0.00 O ATOM 917 CB ALA A 61 -6.589 4.898 -4.752 1.00 0.00 C ATOM 0 H ALA A 61 -5.776 4.506 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.793 3.682 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.387 5.333 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.255 4.043 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.062 5.644 -4.114 1.00 0.00 H new ATOM 923 N ASN A 62 -4.468 6.401 -3.011 1.00 0.00 N ATOM 924 CA ASN A 62 -3.574 7.564 -2.814 1.00 0.00 C ATOM 925 C ASN A 62 -2.891 7.359 -1.475 1.00 0.00 C ATOM 926 O ASN A 62 -2.899 8.207 -0.604 1.00 0.00 O ATOM 927 CB ASN A 62 -4.393 8.856 -2.792 1.00 0.00 C ATOM 928 CG ASN A 62 -3.570 9.990 -3.405 1.00 0.00 C ATOM 929 OD1 ASN A 62 -3.039 9.852 -4.490 1.00 0.00 O ATOM 930 ND2 ASN A 62 -3.441 11.113 -2.754 1.00 0.00 N ATOM 0 H ASN A 62 -5.198 6.297 -2.306 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.846 7.645 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.320 8.722 -3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.671 9.106 -1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.895 11.875 -3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.886 11.229 -1.844 1.00 0.00 H new ATOM 937 N VAL A 63 -2.312 6.203 -1.317 1.00 0.00 N ATOM 938 CA VAL A 63 -1.626 5.862 -0.056 1.00 0.00 C ATOM 939 C VAL A 63 -0.381 6.724 0.098 1.00 0.00 C ATOM 940 O VAL A 63 0.158 7.238 -0.862 1.00 0.00 O ATOM 941 CB VAL A 63 -1.208 4.392 -0.106 1.00 0.00 C ATOM 942 CG1 VAL A 63 -0.687 3.957 1.261 1.00 0.00 C ATOM 943 CG2 VAL A 63 -2.404 3.529 -0.507 1.00 0.00 C ATOM 0 H VAL A 63 -2.289 5.471 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.296 6.037 0.785 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.416 4.268 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.390 2.909 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.174 4.568 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.472 4.083 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.102 2.482 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.203 3.652 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.761 3.836 -1.490 1.00 0.00 H new ATOM 953 N THR A 64 0.087 6.874 1.298 1.00 0.00 N ATOM 954 CA THR A 64 1.313 7.695 1.515 1.00 0.00 C ATOM 955 C THR A 64 2.093 7.138 2.708 1.00 0.00 C ATOM 956 O THR A 64 1.656 6.222 3.373 1.00 0.00 O ATOM 957 CB THR A 64 0.914 9.145 1.797 1.00 0.00 C ATOM 958 OG1 THR A 64 -0.359 9.403 1.221 1.00 0.00 O ATOM 959 CG2 THR A 64 1.951 10.090 1.190 1.00 0.00 C ATOM 0 H THR A 64 -0.321 6.467 2.140 1.00 0.00 H new ATOM 0 HA THR A 64 1.938 7.659 0.623 1.00 0.00 H new ATOM 0 HB THR A 64 0.867 9.306 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.618 10.331 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.665 11.122 1.392 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.927 9.891 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.001 9.932 0.113 1.00 0.00 H new ATOM 967 N LYS A 65 3.246 7.682 2.986 1.00 0.00 N ATOM 968 CA LYS A 65 4.046 7.176 4.137 1.00 0.00 C ATOM 969 C LYS A 65 3.457 7.710 5.444 1.00 0.00 C ATOM 970 O LYS A 65 3.084 8.863 5.543 1.00 0.00 O ATOM 971 CB LYS A 65 5.493 7.650 3.998 1.00 0.00 C ATOM 972 CG LYS A 65 6.428 6.440 3.987 1.00 0.00 C ATOM 973 CD LYS A 65 7.631 6.732 3.089 1.00 0.00 C ATOM 974 CE LYS A 65 8.608 5.557 3.145 1.00 0.00 C ATOM 975 NZ LYS A 65 10.006 6.070 3.065 1.00 0.00 N ATOM 0 H LYS A 65 3.668 8.453 2.468 1.00 0.00 H new ATOM 0 HA LYS A 65 4.019 6.086 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.612 8.223 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.750 8.314 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.763 6.217 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.896 5.560 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.301 6.895 2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.127 7.647 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.467 4.997 4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.414 4.869 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.671 5.272 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.136 6.587 2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.187 6.710 3.864 1.00 0.00 H new