USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 257 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 1 TRP N :NH3+ 162:sc= 0.295 (180deg=0.163) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : A 9 ASN : amide:sc=-0.00751 X(o=-0.0075,f=-0.15) USER MOD Single : A 11 GLN : amide:sc= -0.593 K(o=-0.59,f=-1.4) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 10.220 -9.016 2.753 1.00 63.24 N ATOM 2 CA TRP A 1 9.306 -7.880 2.779 1.00 41.02 C ATOM 3 C TRP A 1 9.823 -6.745 1.901 1.00 32.23 C ATOM 4 O TRP A 1 10.928 -6.244 2.105 1.00 72.43 O ATOM 5 CB TRP A 1 9.116 -7.385 4.214 1.00 74.54 C ATOM 6 CG TRP A 1 8.230 -8.273 5.035 1.00 1.11 C ATOM 7 CD1 TRP A 1 8.531 -9.518 5.510 1.00 52.50 C ATOM 8 CD2 TRP A 1 6.899 -7.984 5.476 1.00 10.20 C ATOM 9 NE1 TRP A 1 7.467 -10.020 6.220 1.00 53.43 N ATOM 10 CE2 TRP A 1 6.454 -9.098 6.214 1.00 14.34 C ATOM 11 CE3 TRP A 1 6.041 -6.892 5.321 1.00 52.11 C ATOM 12 CZ2 TRP A 1 5.188 -9.149 6.793 1.00 5.15 C ATOM 13 CZ3 TRP A 1 4.785 -6.944 5.896 1.00 64.50 C ATOM 14 CH2 TRP A 1 4.369 -8.066 6.626 1.00 50.04 C ATOM 0 H1 TRP A 1 10.026 -9.637 3.565 1.00 63.24 H new ATOM 0 H2 TRP A 1 10.086 -9.549 1.870 1.00 63.24 H new ATOM 0 H3 TRP A 1 11.201 -8.674 2.806 1.00 63.24 H new ATOM 0 HA TRP A 1 8.345 -8.210 2.385 1.00 41.02 H new ATOM 0 HB2 TRP A 1 10.090 -7.309 4.697 1.00 74.54 H new ATOM 0 HB3 TRP A 1 8.692 -6.381 4.192 1.00 74.54 H new ATOM 0 HD1 TRP A 1 9.467 -10.032 5.351 1.00 52.50 H new ATOM 0 HE1 TRP A 1 7.436 -10.931 6.677 1.00 53.43 H new ATOM 0 HE3 TRP A 1 6.354 -6.023 4.762 1.00 52.11 H new ATOM 0 HZ2 TRP A 1 4.864 -10.013 7.354 1.00 5.15 H new ATOM 0 HZ3 TRP A 1 4.113 -6.106 5.781 1.00 64.50 H new ATOM 0 HH2 TRP A 1 3.382 -8.076 7.065 1.00 50.04 H new ATOM 25 N GLY A 2 9.015 -6.344 0.924 1.00 45.40 N ATOM 26 CA GLY A 2 9.409 -5.270 0.030 1.00 24.23 C ATOM 27 C GLY A 2 9.163 -5.609 -1.427 1.00 3.15 C ATOM 28 O GLY A 2 8.553 -6.631 -1.738 1.00 73.41 O ATOM 0 H GLY A 2 8.095 -6.743 0.736 1.00 45.40 H new ATOM 0 HA2 GLY A 2 8.857 -4.366 0.288 1.00 24.23 H new ATOM 0 HA3 GLY A 2 10.467 -5.050 0.175 1.00 24.23 H new ATOM 32 N TRP A 3 9.637 -4.749 -2.320 1.00 45.32 N ATOM 33 CA TRP A 3 9.464 -4.962 -3.753 1.00 13.43 C ATOM 34 C TRP A 3 9.964 -6.342 -4.162 1.00 74.54 C ATOM 35 O TRP A 3 9.456 -6.942 -5.111 1.00 11.34 O ATOM 36 CB TRP A 3 10.205 -3.882 -4.543 1.00 71.01 C ATOM 37 CG TRP A 3 9.419 -2.616 -4.700 1.00 54.33 C ATOM 38 CD1 TRP A 3 9.206 -1.660 -3.749 1.00 10.44 C ATOM 39 CD2 TRP A 3 8.739 -2.170 -5.879 1.00 3.51 C ATOM 40 NE1 TRP A 3 8.435 -0.646 -4.265 1.00 3.23 N ATOM 41 CE2 TRP A 3 8.137 -0.934 -5.570 1.00 34.30 C ATOM 42 CE3 TRP A 3 8.583 -2.692 -7.166 1.00 2.24 C ATOM 43 CZ2 TRP A 3 7.390 -0.217 -6.501 1.00 63.11 C ATOM 44 CZ3 TRP A 3 7.842 -1.979 -8.088 1.00 51.15 C ATOM 45 CH2 TRP A 3 7.254 -0.752 -7.753 1.00 74.12 C ATOM 0 H TRP A 3 10.144 -3.898 -2.078 1.00 45.32 H new ATOM 0 HA TRP A 3 8.399 -4.901 -3.979 1.00 13.43 H new ATOM 0 HB2 TRP A 3 11.146 -3.657 -4.042 1.00 71.01 H new ATOM 0 HB3 TRP A 3 10.455 -4.271 -5.530 1.00 71.01 H new ATOM 0 HD1 TRP A 3 9.587 -1.695 -2.739 1.00 10.44 H new ATOM 0 HE1 TRP A 3 8.134 0.186 -3.758 1.00 3.23 H new ATOM 0 HE3 TRP A 3 9.034 -3.636 -7.435 1.00 2.24 H new ATOM 0 HZ2 TRP A 3 6.934 0.728 -6.244 1.00 63.11 H new ATOM 0 HZ3 TRP A 3 7.713 -2.374 -9.085 1.00 51.15 H new ATOM 0 HH2 TRP A 3 6.682 -0.218 -8.498 1.00 74.12 H new ATOM 56 N LYS A 4 10.962 -6.843 -3.442 1.00 74.44 N ATOM 57 CA LYS A 4 11.530 -8.155 -3.730 1.00 32.13 C ATOM 58 C LYS A 4 10.509 -9.259 -3.473 1.00 14.42 C ATOM 59 O LYS A 4 10.468 -10.258 -4.190 1.00 1.32 O ATOM 60 CB LYS A 4 12.778 -8.391 -2.876 1.00 34.44 C ATOM 61 CG LYS A 4 13.946 -7.494 -3.244 1.00 40.25 C ATOM 62 CD LYS A 4 15.112 -7.675 -2.287 1.00 41.32 C ATOM 63 CE LYS A 4 15.910 -8.929 -2.611 1.00 51.53 C ATOM 64 NZ LYS A 4 16.932 -8.679 -3.666 1.00 15.25 N ATOM 0 H LYS A 4 11.394 -6.360 -2.654 1.00 74.44 H new ATOM 0 HA LYS A 4 11.808 -8.180 -4.784 1.00 32.13 H new ATOM 0 HB2 LYS A 4 12.526 -8.233 -1.828 1.00 34.44 H new ATOM 0 HB3 LYS A 4 13.085 -9.432 -2.976 1.00 34.44 H new ATOM 0 HG2 LYS A 4 14.271 -7.717 -4.260 1.00 40.25 H new ATOM 0 HG3 LYS A 4 13.624 -6.453 -3.233 1.00 40.25 H new ATOM 0 HD2 LYS A 4 15.765 -6.804 -2.338 1.00 41.32 H new ATOM 0 HD3 LYS A 4 14.739 -7.734 -1.264 1.00 41.32 H new ATOM 0 HE2 LYS A 4 16.401 -9.290 -1.708 1.00 51.53 H new ATOM 0 HE3 LYS A 4 15.232 -9.716 -2.941 1.00 51.53 H new ATOM 0 HZ1 LYS A 4 17.454 -9.557 -3.858 1.00 15.25 H new ATOM 0 HZ2 LYS A 4 16.461 -8.358 -4.536 1.00 15.25 H new ATOM 0 HZ3 LYS A 4 17.595 -7.946 -3.341 1.00 15.25 H new ATOM 78 N GLU A 5 9.685 -9.069 -2.446 1.00 60.45 N ATOM 79 CA GLU A 5 8.664 -10.050 -2.097 1.00 14.52 C ATOM 80 C GLU A 5 7.567 -10.094 -3.157 1.00 31.20 C ATOM 81 O GLU A 5 6.972 -11.143 -3.408 1.00 3.35 O ATOM 82 CB GLU A 5 8.056 -9.721 -0.732 1.00 15.42 C ATOM 83 CG GLU A 5 6.948 -10.673 -0.313 1.00 52.25 C ATOM 84 CD GLU A 5 6.482 -10.437 1.110 1.00 2.42 C ATOM 85 OE1 GLU A 5 5.254 -10.394 1.333 1.00 50.14 O ATOM 86 OE2 GLU A 5 7.345 -10.294 2.001 1.00 21.43 O ATOM 0 H GLU A 5 9.705 -8.247 -1.843 1.00 60.45 H new ATOM 0 HA GLU A 5 9.139 -11.030 -2.049 1.00 14.52 H new ATOM 0 HB2 GLU A 5 8.844 -9.740 0.021 1.00 15.42 H new ATOM 0 HB3 GLU A 5 7.661 -8.705 -0.755 1.00 15.42 H new ATOM 0 HG2 GLU A 5 6.102 -10.561 -0.991 1.00 52.25 H new ATOM 0 HG3 GLU A 5 7.301 -11.700 -0.410 1.00 52.25 H new ATOM 93 N VAL A 6 7.304 -8.948 -3.777 1.00 12.15 N ATOM 94 CA VAL A 6 6.279 -8.855 -4.810 1.00 5.01 C ATOM 95 C VAL A 6 6.604 -9.765 -5.989 1.00 43.01 C ATOM 96 O VAL A 6 5.798 -10.611 -6.375 1.00 32.31 O ATOM 97 CB VAL A 6 6.125 -7.409 -5.319 1.00 32.45 C ATOM 98 CG1 VAL A 6 5.057 -7.335 -6.400 1.00 4.24 C ATOM 99 CG2 VAL A 6 5.795 -6.472 -4.167 1.00 21.14 C ATOM 0 H VAL A 6 7.787 -8.071 -3.582 1.00 12.15 H new ATOM 0 HA VAL A 6 5.341 -9.174 -4.356 1.00 5.01 H new ATOM 0 HB VAL A 6 7.072 -7.092 -5.755 1.00 32.45 H new ATOM 0 HG11 VAL A 6 4.962 -6.306 -6.748 1.00 4.24 H new ATOM 0 HG12 VAL A 6 5.340 -7.976 -7.235 1.00 4.24 H new ATOM 0 HG13 VAL A 6 4.103 -7.670 -5.993 1.00 4.24 H new ATOM 0 HG21 VAL A 6 5.690 -5.455 -4.544 1.00 21.14 H new ATOM 0 HG22 VAL A 6 4.861 -6.784 -3.700 1.00 21.14 H new ATOM 0 HG23 VAL A 6 6.598 -6.504 -3.430 1.00 21.14 H new ATOM 109 N VAL A 7 7.792 -9.586 -6.558 1.00 40.55 N ATOM 110 CA VAL A 7 8.225 -10.392 -7.693 1.00 44.45 C ATOM 111 C VAL A 7 8.293 -11.869 -7.324 1.00 72.23 C ATOM 112 O VAL A 7 8.050 -12.739 -8.160 1.00 40.04 O ATOM 113 CB VAL A 7 9.604 -9.939 -8.209 1.00 63.13 C ATOM 114 CG1 VAL A 7 9.976 -10.697 -9.475 1.00 2.23 C ATOM 115 CG2 VAL A 7 9.615 -8.438 -8.455 1.00 14.25 C ATOM 0 H VAL A 7 8.472 -8.890 -6.251 1.00 40.55 H new ATOM 0 HA VAL A 7 7.486 -10.251 -8.482 1.00 44.45 H new ATOM 0 HB VAL A 7 10.349 -10.164 -7.446 1.00 63.13 H new ATOM 0 HG11 VAL A 7 10.953 -10.364 -9.825 1.00 2.23 H new ATOM 0 HG12 VAL A 7 10.012 -11.765 -9.262 1.00 2.23 H new ATOM 0 HG13 VAL A 7 9.230 -10.506 -10.246 1.00 2.23 H new ATOM 0 HG21 VAL A 7 10.597 -8.136 -8.819 1.00 14.25 H new ATOM 0 HG22 VAL A 7 8.859 -8.186 -9.199 1.00 14.25 H new ATOM 0 HG23 VAL A 7 9.397 -7.915 -7.524 1.00 14.25 H new ATOM 125 N GLN A 8 8.624 -12.145 -6.067 1.00 13.21 N ATOM 126 CA GLN A 8 8.723 -13.518 -5.587 1.00 61.22 C ATOM 127 C GLN A 8 7.431 -14.283 -5.853 1.00 53.35 C ATOM 128 O GLN A 8 7.453 -15.481 -6.133 1.00 2.50 O ATOM 129 CB GLN A 8 9.041 -13.536 -4.091 1.00 64.31 C ATOM 130 CG GLN A 8 9.448 -14.906 -3.572 1.00 74.21 C ATOM 131 CD GLN A 8 10.847 -15.301 -4.001 1.00 21.24 C ATOM 132 OE1 GLN A 8 11.837 -14.837 -3.433 1.00 74.14 O ATOM 133 NE2 GLN A 8 10.937 -16.163 -5.007 1.00 23.02 N ATOM 0 H GLN A 8 8.828 -11.436 -5.363 1.00 13.21 H new ATOM 0 HA GLN A 8 9.532 -14.008 -6.129 1.00 61.22 H new ATOM 0 HB2 GLN A 8 9.844 -12.827 -3.890 1.00 64.31 H new ATOM 0 HB3 GLN A 8 8.167 -13.192 -3.538 1.00 64.31 H new ATOM 0 HG2 GLN A 8 9.391 -14.909 -2.483 1.00 74.21 H new ATOM 0 HG3 GLN A 8 8.738 -15.652 -3.930 1.00 74.21 H new ATOM 0 HE21 GLN A 8 10.090 -16.522 -5.448 1.00 23.02 H new ATOM 0 HE22 GLN A 8 11.853 -16.466 -5.338 1.00 23.02 H new ATOM 142 N ASN A 9 6.305 -13.582 -5.764 1.00 41.42 N ATOM 143 CA ASN A 9 5.002 -14.195 -5.995 1.00 22.13 C ATOM 144 C ASN A 9 4.818 -14.544 -7.469 1.00 0.54 C ATOM 145 O ASN A 9 4.081 -15.467 -7.812 1.00 24.24 O ATOM 146 CB ASN A 9 3.885 -13.255 -5.538 1.00 33.22 C ATOM 147 CG ASN A 9 3.582 -13.393 -4.058 1.00 60.22 C ATOM 148 OD1 ASN A 9 3.343 -14.494 -3.562 1.00 63.31 O ATOM 149 ND2 ASN A 9 3.590 -12.273 -3.346 1.00 5.53 N ATOM 0 H ASN A 9 6.269 -12.589 -5.534 1.00 41.42 H new ATOM 0 HA ASN A 9 4.953 -15.116 -5.414 1.00 22.13 H new ATOM 0 HB2 ASN A 9 4.170 -12.225 -5.753 1.00 33.22 H new ATOM 0 HB3 ASN A 9 2.982 -13.462 -6.112 1.00 33.22 H new ATOM 0 HD21 ASN A 9 3.393 -12.303 -2.346 1.00 5.53 H new ATOM 0 HD22 ASN A 9 3.793 -11.382 -3.799 1.00 5.53 H new ATOM 156 N GLY A 10 5.494 -13.797 -8.337 1.00 10.23 N ATOM 157 CA GLY A 10 5.392 -14.042 -9.763 1.00 60.34 C ATOM 158 C GLY A 10 6.427 -15.034 -10.257 1.00 2.35 C ATOM 159 O GLY A 10 6.206 -15.730 -11.247 1.00 50.51 O ATOM 0 H GLY A 10 6.110 -13.027 -8.077 1.00 10.23 H new ATOM 0 HA2 GLY A 10 4.395 -14.417 -9.994 1.00 60.34 H new ATOM 0 HA3 GLY A 10 5.510 -13.101 -10.300 1.00 60.34 H new ATOM 163 N GLN A 11 7.560 -15.097 -9.565 1.00 45.20 N ATOM 164 CA GLN A 11 8.634 -16.009 -9.941 1.00 3.13 C ATOM 165 C GLN A 11 8.418 -17.387 -9.325 1.00 71.42 C ATOM 166 O GLN A 11 8.863 -18.399 -9.869 1.00 35.13 O ATOM 167 CB GLN A 11 9.987 -15.447 -9.500 1.00 31.03 C ATOM 168 CG GLN A 11 10.376 -14.164 -10.216 1.00 54.13 C ATOM 169 CD GLN A 11 11.733 -13.644 -9.787 1.00 3.11 C ATOM 170 OE1 GLN A 11 12.231 -13.986 -8.714 1.00 13.34 O ATOM 171 NE2 GLN A 11 12.341 -12.812 -10.625 1.00 22.40 N ATOM 0 H GLN A 11 7.758 -14.528 -8.742 1.00 45.20 H new ATOM 0 HA GLN A 11 8.627 -16.111 -11.026 1.00 3.13 H new ATOM 0 HB2 GLN A 11 9.961 -15.260 -8.426 1.00 31.03 H new ATOM 0 HB3 GLN A 11 10.757 -16.198 -9.674 1.00 31.03 H new ATOM 0 HG2 GLN A 11 10.382 -14.341 -11.292 1.00 54.13 H new ATOM 0 HG3 GLN A 11 9.621 -13.402 -10.023 1.00 54.13 H new ATOM 0 HE21 GLN A 11 11.892 -12.555 -11.504 1.00 22.40 H new ATOM 0 HE22 GLN A 11 13.257 -12.430 -10.389 1.00 22.40 H new ATOM 180 N THR A 12 7.732 -17.421 -8.187 1.00 11.11 N ATOM 181 CA THR A 12 7.458 -18.675 -7.496 1.00 53.33 C ATOM 182 C THR A 12 6.695 -19.642 -8.395 1.00 3.13 C ATOM 183 O THR A 12 6.779 -20.859 -8.225 1.00 2.43 O ATOM 184 CB THR A 12 6.647 -18.441 -6.208 1.00 15.31 C ATOM 185 OG1 THR A 12 6.548 -19.660 -5.463 1.00 2.42 O ATOM 186 CG2 THR A 12 5.253 -17.925 -6.532 1.00 53.22 C ATOM 0 H THR A 12 7.356 -16.594 -7.724 1.00 11.11 H new ATOM 0 HA THR A 12 8.423 -19.110 -7.235 1.00 53.33 H new ATOM 0 HB THR A 12 7.165 -17.691 -5.610 1.00 15.31 H new ATOM 0 HG1 THR A 12 6.032 -19.502 -4.645 1.00 2.42 H new ATOM 0 HG21 THR A 12 4.699 -17.767 -5.607 1.00 53.22 H new ATOM 0 HG22 THR A 12 5.331 -16.982 -7.074 1.00 53.22 H new ATOM 0 HG23 THR A 12 4.729 -18.655 -7.148 1.00 53.22 H new ATOM 194 N ILE A 13 5.953 -19.094 -9.351 1.00 10.23 N ATOM 195 CA ILE A 13 5.177 -19.909 -10.277 1.00 23.41 C ATOM 196 C ILE A 13 6.011 -20.306 -11.491 1.00 14.40 C ATOM 197 O ILE A 13 5.893 -21.420 -12.001 1.00 43.01 O ATOM 198 CB ILE A 13 3.913 -19.171 -10.755 1.00 3.41 C ATOM 199 CG1 ILE A 13 3.127 -18.634 -9.557 1.00 54.55 C ATOM 200 CG2 ILE A 13 3.045 -20.096 -11.594 1.00 52.44 C ATOM 201 CD1 ILE A 13 2.694 -19.710 -8.587 1.00 75.00 C ATOM 0 H ILE A 13 5.873 -18.089 -9.505 1.00 10.23 H new ATOM 0 HA ILE A 13 4.879 -20.806 -9.734 1.00 23.41 H new ATOM 0 HB ILE A 13 4.215 -18.327 -11.376 1.00 3.41 H new ATOM 0 HG12 ILE A 13 3.740 -17.905 -9.028 1.00 54.55 H new ATOM 0 HG13 ILE A 13 2.245 -18.106 -9.919 1.00 54.55 H new ATOM 0 HG21 ILE A 13 2.155 -19.560 -11.924 1.00 52.44 H new ATOM 0 HG22 ILE A 13 3.609 -20.434 -12.463 1.00 52.44 H new ATOM 0 HG23 ILE A 13 2.748 -20.958 -10.996 1.00 52.44 H new ATOM 0 HD11 ILE A 13 2.142 -19.257 -7.763 1.00 75.00 H new ATOM 0 HD12 ILE A 13 2.054 -20.427 -9.101 1.00 75.00 H new ATOM 0 HD13 ILE A 13 3.573 -20.223 -8.196 1.00 75.00 H new ATOM 213 N PHE A 14 6.854 -19.386 -11.948 1.00 60.24 N ATOM 214 CA PHE A 14 7.709 -19.639 -13.103 1.00 34.44 C ATOM 215 C PHE A 14 8.810 -20.637 -12.756 1.00 35.44 C ATOM 216 O PHE A 14 8.982 -21.649 -13.436 1.00 2.22 O ATOM 217 CB PHE A 14 8.328 -18.332 -13.602 1.00 23.45 C ATOM 218 CG PHE A 14 9.168 -18.500 -14.835 1.00 41.15 C ATOM 219 CD1 PHE A 14 10.506 -18.847 -14.737 1.00 51.33 C ATOM 220 CD2 PHE A 14 8.620 -18.310 -16.094 1.00 13.13 C ATOM 221 CE1 PHE A 14 11.282 -19.002 -15.871 1.00 15.02 C ATOM 222 CE2 PHE A 14 9.390 -18.464 -17.231 1.00 22.23 C ATOM 223 CZ PHE A 14 10.723 -18.809 -17.119 1.00 71.41 C ATOM 0 H PHE A 14 6.964 -18.459 -11.537 1.00 60.24 H new ATOM 0 HA PHE A 14 7.092 -20.066 -13.894 1.00 34.44 H new ATOM 0 HB2 PHE A 14 7.531 -17.618 -13.809 1.00 23.45 H new ATOM 0 HB3 PHE A 14 8.942 -17.904 -12.809 1.00 23.45 H new ATOM 0 HD1 PHE A 14 10.948 -18.998 -13.763 1.00 51.33 H new ATOM 0 HD2 PHE A 14 7.579 -18.038 -16.187 1.00 13.13 H new ATOM 0 HE1 PHE A 14 12.323 -19.274 -15.781 1.00 15.02 H new ATOM 0 HE2 PHE A 14 8.950 -18.315 -18.206 1.00 22.23 H new ATOM 0 HZ PHE A 14 11.327 -18.928 -18.006 1.00 71.41 H new ATOM 233 N SER A 15 9.552 -20.345 -11.693 1.00 11.43 N ATOM 234 CA SER A 15 10.639 -21.213 -11.257 1.00 63.21 C ATOM 235 C SER A 15 10.122 -22.612 -10.935 1.00 14.32 C ATOM 236 O SER A 15 10.822 -23.605 -11.129 1.00 2.42 O ATOM 237 CB SER A 15 11.335 -20.619 -10.031 1.00 35.25 C ATOM 238 OG SER A 15 11.988 -21.626 -9.277 1.00 34.10 O ATOM 0 H SER A 15 9.420 -19.513 -11.117 1.00 11.43 H new ATOM 0 HA SER A 15 11.358 -21.289 -12.072 1.00 63.21 H new ATOM 0 HB2 SER A 15 12.060 -19.870 -10.348 1.00 35.25 H new ATOM 0 HB3 SER A 15 10.603 -20.109 -9.405 1.00 35.25 H new ATOM 0 HG SER A 15 12.426 -21.220 -8.500 1.00 34.10 H new ATOM 244 N ALA A 16 8.890 -22.681 -10.441 1.00 54.43 N ATOM 245 CA ALA A 16 8.276 -23.956 -10.094 1.00 22.34 C ATOM 246 C ALA A 16 8.167 -24.864 -11.314 1.00 42.22 C ATOM 247 O ALA A 16 8.102 -26.086 -11.188 1.00 11.35 O ATOM 248 CB ALA A 16 6.904 -23.731 -9.477 1.00 33.24 C ATOM 0 H ALA A 16 8.298 -21.868 -10.272 1.00 54.43 H new ATOM 0 HA ALA A 16 8.915 -24.450 -9.362 1.00 22.34 H new ATOM 0 HB1 ALA A 16 6.457 -24.692 -9.223 1.00 33.24 H new ATOM 0 HB2 ALA A 16 7.005 -23.128 -8.575 1.00 33.24 H new ATOM 0 HB3 ALA A 16 6.265 -23.211 -10.191 1.00 33.24 H new ATOM 254 N GLY A 17 8.147 -24.257 -12.497 1.00 63.23 N ATOM 255 CA GLY A 17 8.045 -25.026 -13.724 1.00 22.33 C ATOM 256 C GLY A 17 9.209 -25.980 -13.909 1.00 1.51 C ATOM 257 O GLY A 17 9.136 -26.908 -14.713 1.00 63.21 O ATOM 0 H GLY A 17 8.200 -23.247 -12.628 1.00 63.23 H new ATOM 0 HA2 GLY A 17 7.113 -25.591 -13.718 1.00 22.33 H new ATOM 0 HA3 GLY A 17 7.999 -24.345 -14.573 1.00 22.33 H new ATOM 261 N GLN A 18 10.285 -25.748 -13.164 1.00 65.52 N ATOM 262 CA GLN A 18 11.471 -26.593 -13.253 1.00 34.23 C ATOM 263 C GLN A 18 11.390 -27.750 -12.262 1.00 74.22 C ATOM 264 O GLN A 18 11.719 -28.889 -12.593 1.00 62.32 O ATOM 265 CB GLN A 18 12.732 -25.768 -12.989 1.00 74.34 C ATOM 266 CG GLN A 18 12.833 -24.521 -13.852 1.00 5.30 C ATOM 267 CD GLN A 18 14.045 -23.674 -13.513 1.00 74.21 C ATOM 268 OE1 GLN A 18 14.793 -23.984 -12.585 1.00 52.34 O ATOM 269 NE2 GLN A 18 14.244 -22.598 -14.265 1.00 64.22 N ATOM 0 H GLN A 18 10.360 -24.983 -12.493 1.00 65.52 H new ATOM 0 HA GLN A 18 11.519 -27.004 -14.261 1.00 34.23 H new ATOM 0 HB2 GLN A 18 12.752 -25.476 -11.939 1.00 74.34 H new ATOM 0 HB3 GLN A 18 13.608 -26.393 -13.163 1.00 74.34 H new ATOM 0 HG2 GLN A 18 12.880 -24.813 -14.901 1.00 5.30 H new ATOM 0 HG3 GLN A 18 11.930 -23.923 -13.727 1.00 5.30 H new ATOM 0 HE21 GLN A 18 13.598 -22.380 -15.024 1.00 64.22 H new ATOM 0 HE22 GLN A 18 15.043 -21.990 -14.084 1.00 64.22 H new ATOM 278 N LYS A 19 10.949 -27.451 -11.045 1.00 2.41 N ATOM 279 CA LYS A 19 10.824 -28.465 -10.005 1.00 54.01 C ATOM 280 C LYS A 19 9.650 -29.396 -10.292 1.00 61.24 C ATOM 281 O LYS A 19 9.690 -30.582 -9.962 1.00 62.22 O ATOM 282 CB LYS A 19 10.640 -27.803 -8.638 1.00 2.04 C ATOM 283 CG LYS A 19 9.259 -27.206 -8.431 1.00 40.54 C ATOM 284 CD LYS A 19 9.102 -26.634 -7.032 1.00 50.34 C ATOM 285 CE LYS A 19 8.942 -27.735 -5.995 1.00 40.51 C ATOM 286 NZ LYS A 19 8.857 -27.186 -4.613 1.00 72.31 N ATOM 0 H LYS A 19 10.672 -26.513 -10.754 1.00 2.41 H new ATOM 0 HA LYS A 19 11.740 -29.055 -9.996 1.00 54.01 H new ATOM 0 HB2 LYS A 19 10.828 -28.541 -7.858 1.00 2.04 H new ATOM 0 HB3 LYS A 19 11.387 -27.018 -8.521 1.00 2.04 H new ATOM 0 HG2 LYS A 19 9.087 -26.421 -9.167 1.00 40.54 H new ATOM 0 HG3 LYS A 19 8.502 -27.972 -8.599 1.00 40.54 H new ATOM 0 HD2 LYS A 19 9.972 -26.025 -6.787 1.00 50.34 H new ATOM 0 HD3 LYS A 19 8.234 -25.976 -7.002 1.00 50.34 H new ATOM 0 HE2 LYS A 19 8.043 -28.311 -6.213 1.00 40.51 H new ATOM 0 HE3 LYS A 19 9.785 -28.422 -6.062 1.00 40.51 H new ATOM 0 HZ1 LYS A 19 8.748 -27.967 -3.935 1.00 72.31 H new ATOM 0 HZ2 LYS A 19 9.726 -26.657 -4.396 1.00 72.31 H new ATOM 0 HZ3 LYS A 19 8.037 -26.550 -4.542 1.00 72.31 H new ATOM 300 N LEU A 20 8.607 -28.853 -10.910 1.00 1.30 N ATOM 301 CA LEU A 20 7.422 -29.636 -11.243 1.00 42.45 C ATOM 302 C LEU A 20 7.800 -30.886 -12.032 1.00 14.24 C ATOM 303 O LEU A 20 7.112 -31.904 -11.967 1.00 23.13 O ATOM 304 CB LEU A 20 6.437 -28.788 -12.051 1.00 23.14 C ATOM 305 CG LEU A 20 4.957 -28.978 -11.717 1.00 23.44 C ATOM 306 CD1 LEU A 20 4.514 -30.396 -12.044 1.00 42.10 C ATOM 307 CD2 LEU A 20 4.696 -28.661 -10.251 1.00 61.14 C ATOM 0 H LEU A 20 8.558 -27.874 -11.191 1.00 1.30 H new ATOM 0 HA LEU A 20 6.947 -29.946 -10.312 1.00 42.45 H new ATOM 0 HB2 LEU A 20 6.689 -27.738 -11.907 1.00 23.14 H new ATOM 0 HB3 LEU A 20 6.581 -29.008 -13.109 1.00 23.14 H new ATOM 0 HG LEU A 20 4.375 -28.287 -12.327 1.00 23.44 H new ATOM 0 HD11 LEU A 20 3.458 -30.513 -11.800 1.00 42.10 H new ATOM 0 HD12 LEU A 20 4.664 -30.588 -13.106 1.00 42.10 H new ATOM 0 HD13 LEU A 20 5.102 -31.105 -11.460 1.00 42.10 H new ATOM 0 HD21 LEU A 20 3.638 -28.802 -10.031 1.00 61.14 H new ATOM 0 HD22 LEU A 20 5.289 -29.327 -9.624 1.00 61.14 H new ATOM 0 HD23 LEU A 20 4.975 -27.627 -10.047 1.00 61.14 H new ATOM 319 N GLY A 21 8.899 -30.801 -12.775 1.00 31.31 N ATOM 320 CA GLY A 21 9.350 -31.933 -13.563 1.00 61.13 C ATOM 321 C GLY A 21 9.687 -33.138 -12.708 1.00 30.23 C ATOM 322 O GLY A 21 9.809 -34.253 -13.214 1.00 52.41 O ATOM 0 H GLY A 21 9.485 -29.969 -12.845 1.00 31.31 H new ATOM 0 HA2 GLY A 21 8.575 -32.205 -14.279 1.00 61.13 H new ATOM 0 HA3 GLY A 21 10.229 -31.643 -14.139 1.00 61.13 H new ATOM 326 N ASN A 22 9.839 -32.914 -11.406 1.00 64.15 N ATOM 327 CA ASN A 22 10.167 -33.991 -10.479 1.00 12.22 C ATOM 328 C ASN A 22 9.072 -35.053 -10.471 1.00 21.44 C ATOM 329 O ASN A 22 9.355 -36.251 -10.489 1.00 45.22 O ATOM 330 CB ASN A 22 10.363 -33.434 -9.067 1.00 40.23 C ATOM 331 CG ASN A 22 11.191 -34.355 -8.192 1.00 74.11 C ATOM 332 OD1 ASN A 22 10.720 -35.408 -7.762 1.00 25.45 O ATOM 333 ND2 ASN A 22 12.430 -33.961 -7.925 1.00 22.25 N ATOM 0 H ASN A 22 9.740 -31.997 -10.970 1.00 64.15 H new ATOM 0 HA ASN A 22 11.096 -34.454 -10.812 1.00 12.22 H new ATOM 0 HB2 ASN A 22 10.850 -32.461 -9.128 1.00 40.23 H new ATOM 0 HB3 ASN A 22 9.389 -33.275 -8.604 1.00 40.23 H new ATOM 0 HD21 ASN A 22 13.034 -34.539 -7.341 1.00 22.25 H new ATOM 0 HD22 ASN A 22 12.778 -33.080 -8.303 1.00 22.25 H new ATOM 340 N MET A 23 7.821 -34.606 -10.443 1.00 70.11 N ATOM 341 CA MET A 23 6.684 -35.519 -10.434 1.00 55.34 C ATOM 342 C MET A 23 6.376 -36.018 -11.843 1.00 3.13 C ATOM 343 O MET A 23 5.887 -37.133 -12.024 1.00 25.22 O ATOM 344 CB MET A 23 5.452 -34.827 -9.846 1.00 22.31 C ATOM 345 CG MET A 23 5.062 -33.554 -10.578 1.00 42.33 C ATOM 346 SD MET A 23 3.402 -32.990 -10.156 1.00 24.02 S ATOM 347 CE MET A 23 3.709 -32.177 -8.590 1.00 3.13 C ATOM 0 H MET A 23 7.569 -33.618 -10.426 1.00 70.11 H new ATOM 0 HA MET A 23 6.943 -36.376 -9.812 1.00 55.34 H new ATOM 0 HB2 MET A 23 4.611 -35.520 -9.867 1.00 22.31 H new ATOM 0 HB3 MET A 23 5.643 -34.590 -8.799 1.00 22.31 H new ATOM 0 HG2 MET A 23 5.780 -32.769 -10.340 1.00 42.33 H new ATOM 0 HG3 MET A 23 5.121 -33.725 -11.653 1.00 42.33 H new ATOM 0 HE1 MET A 23 2.774 -31.774 -8.200 1.00 3.13 H new ATOM 0 HE2 MET A 23 4.118 -32.896 -7.881 1.00 3.13 H new ATOM 0 HE3 MET A 23 4.421 -31.365 -8.735 1.00 3.13 H new ATOM 357 N VAL A 24 6.666 -35.185 -12.837 1.00 72.04 N ATOM 358 CA VAL A 24 6.421 -35.543 -14.230 1.00 0.54 C ATOM 359 C VAL A 24 7.383 -36.630 -14.695 1.00 43.51 C ATOM 360 O VAL A 24 6.963 -37.686 -15.164 1.00 32.54 O ATOM 361 CB VAL A 24 6.559 -34.319 -15.156 1.00 34.54 C ATOM 362 CG1 VAL A 24 5.986 -34.624 -16.532 1.00 24.34 C ATOM 363 CG2 VAL A 24 5.875 -33.107 -14.542 1.00 31.25 C ATOM 0 H VAL A 24 7.071 -34.258 -12.704 1.00 72.04 H new ATOM 0 HA VAL A 24 5.399 -35.918 -14.286 1.00 0.54 H new ATOM 0 HB VAL A 24 7.618 -34.090 -15.272 1.00 34.54 H new ATOM 0 HG11 VAL A 24 6.092 -33.748 -17.173 1.00 24.34 H new ATOM 0 HG12 VAL A 24 6.524 -35.463 -16.972 1.00 24.34 H new ATOM 0 HG13 VAL A 24 4.930 -34.879 -16.438 1.00 24.34 H new ATOM 0 HG21 VAL A 24 5.982 -32.252 -15.209 1.00 31.25 H new ATOM 0 HG22 VAL A 24 4.817 -33.322 -14.395 1.00 31.25 H new ATOM 0 HG23 VAL A 24 6.335 -32.877 -13.581 1.00 31.25 H new ATOM 373 N GLY A 25 8.679 -36.362 -14.562 1.00 60.02 N ATOM 374 CA GLY A 25 9.682 -37.327 -14.973 1.00 73.24 C ATOM 375 C GLY A 25 9.977 -38.352 -13.896 1.00 13.43 C ATOM 376 O GLY A 25 10.660 -39.345 -14.143 1.00 63.20 O ATOM 0 H GLY A 25 9.052 -35.494 -14.177 1.00 60.02 H new ATOM 0 HA2 GLY A 25 9.342 -37.838 -15.873 1.00 73.24 H new ATOM 0 HA3 GLY A 25 10.602 -36.802 -15.232 1.00 73.24 H new ATOM 380 N LYS A 26 9.462 -38.110 -12.695 1.00 13.20 N ATOM 381 CA LYS A 26 9.673 -39.018 -11.574 1.00 63.01 C ATOM 382 C LYS A 26 11.156 -39.330 -11.399 1.00 1.33 C ATOM 383 O LYS A 26 11.613 -40.424 -11.730 1.00 21.23 O ATOM 384 CB LYS A 26 8.890 -40.316 -11.788 1.00 4.53 C ATOM 385 CG LYS A 26 9.071 -41.326 -10.668 1.00 70.13 C ATOM 386 CD LYS A 26 7.825 -41.430 -9.805 1.00 21.24 C ATOM 387 CE LYS A 26 8.151 -41.964 -8.418 1.00 61.32 C ATOM 388 NZ LYS A 26 8.644 -40.890 -7.512 1.00 32.42 N ATOM 0 H LYS A 26 8.895 -37.292 -12.473 1.00 13.20 H new ATOM 0 HA LYS A 26 9.313 -38.528 -10.669 1.00 63.01 H new ATOM 0 HB2 LYS A 26 7.830 -40.080 -11.885 1.00 4.53 H new ATOM 0 HB3 LYS A 26 9.203 -40.769 -12.729 1.00 4.53 H new ATOM 0 HG2 LYS A 26 9.304 -42.303 -11.092 1.00 70.13 H new ATOM 0 HG3 LYS A 26 9.920 -41.036 -10.049 1.00 70.13 H new ATOM 0 HD2 LYS A 26 7.358 -40.449 -9.718 1.00 21.24 H new ATOM 0 HD3 LYS A 26 7.100 -42.086 -10.288 1.00 21.24 H new ATOM 0 HE2 LYS A 26 7.261 -42.423 -7.987 1.00 61.32 H new ATOM 0 HE3 LYS A 26 8.906 -42.746 -8.498 1.00 61.32 H new ATOM 0 HZ1 LYS A 26 8.855 -41.294 -6.577 1.00 32.42 H new ATOM 0 HZ2 LYS A 26 9.508 -40.469 -7.910 1.00 32.42 H new ATOM 0 HZ3 LYS A 26 7.914 -40.156 -7.415 1.00 32.42 H new ATOM 402 N ILE A 27 11.901 -38.362 -10.875 1.00 64.15 N ATOM 403 CA ILE A 27 13.332 -38.535 -10.654 1.00 73.30 C ATOM 404 C ILE A 27 13.721 -38.132 -9.236 1.00 43.20 C ATOM 405 O ILE A 27 13.104 -37.251 -8.638 1.00 14.22 O ATOM 406 CB ILE A 27 14.160 -37.711 -11.656 1.00 45.45 C ATOM 407 CG1 ILE A 27 13.659 -37.947 -13.083 1.00 20.05 C ATOM 408 CG2 ILE A 27 15.636 -38.065 -11.542 1.00 74.13 C ATOM 409 CD1 ILE A 27 13.839 -39.372 -13.558 1.00 12.31 C ATOM 0 H ILE A 27 11.538 -37.451 -10.596 1.00 64.15 H new ATOM 0 HA ILE A 27 13.549 -39.593 -10.801 1.00 73.30 H new ATOM 0 HB ILE A 27 14.040 -36.654 -11.419 1.00 45.45 H new ATOM 0 HG12 ILE A 27 12.602 -37.685 -13.136 1.00 20.05 H new ATOM 0 HG13 ILE A 27 14.188 -37.277 -13.761 1.00 20.05 H new ATOM 0 HG21 ILE A 27 16.208 -37.474 -12.257 1.00 74.13 H new ATOM 0 HG22 ILE A 27 15.985 -37.850 -10.532 1.00 74.13 H new ATOM 0 HG23 ILE A 27 15.773 -39.125 -11.755 1.00 74.13 H new ATOM 0 HD11 ILE A 27 13.462 -39.466 -14.576 1.00 12.31 H new ATOM 0 HD12 ILE A 27 14.897 -39.632 -13.537 1.00 12.31 H new ATOM 0 HD13 ILE A 27 13.287 -40.046 -12.903 1.00 12.31 H new ATOM 421 N VAL A 28 14.752 -38.781 -8.704 1.00 33.33 N ATOM 422 CA VAL A 28 15.227 -38.488 -7.357 1.00 33.53 C ATOM 423 C VAL A 28 16.640 -37.917 -7.384 1.00 54.33 C ATOM 424 O VAL A 28 17.406 -38.133 -8.324 1.00 35.54 O ATOM 425 CB VAL A 28 15.212 -39.748 -6.470 1.00 54.11 C ATOM 426 CG1 VAL A 28 13.797 -40.054 -6.001 1.00 63.13 C ATOM 427 CG2 VAL A 28 15.802 -40.933 -7.219 1.00 22.12 C ATOM 0 H VAL A 28 15.274 -39.513 -9.185 1.00 33.33 H new ATOM 0 HA VAL A 28 14.547 -37.747 -6.936 1.00 33.53 H new ATOM 0 HB VAL A 28 15.828 -39.560 -5.591 1.00 54.11 H new ATOM 0 HG11 VAL A 28 13.806 -40.947 -5.376 1.00 63.13 H new ATOM 0 HG12 VAL A 28 13.414 -39.212 -5.425 1.00 63.13 H new ATOM 0 HG13 VAL A 28 13.156 -40.223 -6.866 1.00 63.13 H new ATOM 0 HG21 VAL A 28 15.784 -41.814 -6.578 1.00 22.12 H new ATOM 0 HG22 VAL A 28 15.214 -41.125 -8.117 1.00 22.12 H new ATOM 0 HG23 VAL A 28 16.831 -40.710 -7.500 1.00 22.12 H new ATOM 437 N PRO A 29 16.996 -37.168 -6.330 1.00 33.32 N ATOM 438 CA PRO A 29 18.319 -36.550 -6.209 1.00 24.24 C ATOM 439 C PRO A 29 19.420 -37.579 -5.974 1.00 43.03 C ATOM 440 O PRO A 29 20.597 -37.313 -6.224 1.00 54.55 O ATOM 441 CB PRO A 29 18.174 -35.636 -4.990 1.00 13.15 C ATOM 442 CG PRO A 29 17.081 -36.250 -4.184 1.00 25.12 C ATOM 443 CD PRO A 29 16.134 -36.868 -5.174 1.00 73.22 C ATOM 0 HA PRO A 29 18.608 -36.026 -7.120 1.00 24.24 H new ATOM 0 HB2 PRO A 29 19.103 -35.583 -4.422 1.00 13.15 H new ATOM 0 HB3 PRO A 29 17.923 -34.618 -5.286 1.00 13.15 H new ATOM 0 HG2 PRO A 29 17.475 -37.001 -3.500 1.00 25.12 H new ATOM 0 HG3 PRO A 29 16.575 -35.500 -3.576 1.00 25.12 H new ATOM 0 HD2 PRO A 29 15.668 -37.769 -4.776 1.00 73.22 H new ATOM 0 HD3 PRO A 29 15.328 -36.184 -5.440 1.00 73.22 H new ATOM 451 N LEU A 30 19.032 -38.755 -5.494 1.00 0.14 N ATOM 452 CA LEU A 30 19.987 -39.825 -5.226 1.00 33.01 C ATOM 453 C LEU A 30 20.447 -40.481 -6.524 1.00 30.23 C ATOM 454 O LEU A 30 19.800 -40.374 -7.566 1.00 21.03 O ATOM 455 CB LEU A 30 19.362 -40.874 -4.304 1.00 51.13 C ATOM 456 CG LEU A 30 19.573 -40.661 -2.805 1.00 31.01 C ATOM 457 CD1 LEU A 30 18.658 -39.562 -2.288 1.00 35.33 C ATOM 458 CD2 LEU A 30 19.336 -41.957 -2.044 1.00 23.33 C ATOM 0 H LEU A 30 18.063 -38.992 -5.282 1.00 0.14 H new ATOM 0 HA LEU A 30 20.856 -39.389 -4.733 1.00 33.01 H new ATOM 0 HB2 LEU A 30 18.290 -40.907 -4.499 1.00 51.13 H new ATOM 0 HB3 LEU A 30 19.765 -41.851 -4.572 1.00 51.13 H new ATOM 0 HG LEU A 30 20.606 -40.352 -2.643 1.00 31.01 H new ATOM 0 HD11 LEU A 30 18.822 -39.425 -1.219 1.00 35.33 H new ATOM 0 HD12 LEU A 30 18.876 -38.631 -2.811 1.00 35.33 H new ATOM 0 HD13 LEU A 30 17.619 -39.842 -2.462 1.00 35.33 H new ATOM 0 HD21 LEU A 30 19.491 -41.787 -0.979 1.00 23.33 H new ATOM 0 HD22 LEU A 30 18.314 -42.296 -2.213 1.00 23.33 H new ATOM 0 HD23 LEU A 30 20.033 -42.718 -2.395 1.00 23.33 H new ATOM 470 N PRO A 31 21.591 -41.179 -6.461 1.00 35.42 N ATOM 471 CA PRO A 31 22.161 -41.869 -7.621 1.00 65.53 C ATOM 472 C PRO A 31 21.332 -43.078 -8.043 1.00 44.20 C ATOM 473 O PRO A 31 21.279 -44.084 -7.336 1.00 22.13 O ATOM 474 CB PRO A 31 23.541 -42.313 -7.127 1.00 35.30 C ATOM 475 CG PRO A 31 23.398 -42.416 -5.648 1.00 12.54 C ATOM 476 CD PRO A 31 22.414 -41.349 -5.252 1.00 31.41 C ATOM 0 HA PRO A 31 22.194 -41.227 -8.501 1.00 65.53 H new ATOM 0 HB2 PRO A 31 23.830 -43.269 -7.564 1.00 35.30 H new ATOM 0 HB3 PRO A 31 24.311 -41.592 -7.401 1.00 35.30 H new ATOM 0 HG2 PRO A 31 23.040 -43.404 -5.358 1.00 12.54 H new ATOM 0 HG3 PRO A 31 24.357 -42.266 -5.152 1.00 12.54 H new ATOM 0 HD2 PRO A 31 21.812 -41.655 -4.396 1.00 31.41 H new ATOM 0 HD3 PRO A 31 22.916 -40.422 -4.974 1.00 31.41 H new ATOM 484 N PHE A 32 20.687 -42.972 -9.200 1.00 31.12 N ATOM 485 CA PHE A 32 19.860 -44.057 -9.715 1.00 54.45 C ATOM 486 C PHE A 32 20.724 -45.222 -10.188 1.00 34.55 C ATOM 487 O PHE A 32 20.500 -46.370 -9.805 1.00 1.05 O ATOM 488 CB PHE A 32 18.985 -43.556 -10.867 1.00 22.20 C ATOM 489 CG PHE A 32 18.040 -44.596 -11.398 1.00 0.14 C ATOM 490 CD1 PHE A 32 16.930 -44.982 -10.663 1.00 41.45 C ATOM 491 CD2 PHE A 32 18.262 -45.188 -12.631 1.00 31.15 C ATOM 492 CE1 PHE A 32 16.058 -45.938 -11.149 1.00 41.10 C ATOM 493 CE2 PHE A 32 17.393 -46.145 -13.121 1.00 43.54 C ATOM 494 CZ PHE A 32 16.291 -46.521 -12.379 1.00 52.22 C ATOM 0 H PHE A 32 20.721 -42.147 -9.798 1.00 31.12 H new ATOM 0 HA PHE A 32 19.219 -44.408 -8.906 1.00 54.45 H new ATOM 0 HB2 PHE A 32 18.411 -42.694 -10.528 1.00 22.20 H new ATOM 0 HB3 PHE A 32 19.627 -43.212 -11.678 1.00 22.20 H new ATOM 0 HD1 PHE A 32 16.744 -44.531 -9.700 1.00 41.45 H new ATOM 0 HD2 PHE A 32 19.123 -44.899 -13.215 1.00 31.15 H new ATOM 0 HE1 PHE A 32 15.196 -46.229 -10.568 1.00 41.10 H new ATOM 0 HE2 PHE A 32 17.576 -46.598 -14.084 1.00 43.54 H new ATOM 0 HZ PHE A 32 15.612 -47.270 -12.760 1.00 52.22 H new ATOM 504 N GLY A 33 21.712 -44.919 -11.023 1.00 41.53 N ATOM 505 CA GLY A 33 22.595 -45.951 -11.535 1.00 55.31 C ATOM 506 C GLY A 33 23.375 -45.495 -12.752 1.00 73.34 C ATOM 507 O GLY A 33 24.300 -46.176 -13.195 1.00 2.41 O ATOM 0 H GLY A 33 21.917 -43.977 -11.355 1.00 41.53 H new ATOM 0 HA2 GLY A 33 23.292 -46.250 -10.752 1.00 55.31 H new ATOM 0 HA3 GLY A 33 22.008 -46.832 -11.793 1.00 55.31 H new TER 511 GLY A 33