USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.052) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.27 F(o=-3!,f=-1.3) 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= -0.043 X(o=-0.043,f=-0.47) 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=-0.054) 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 8.490 -3.792 1.751 1.00 33.41 N ATOM 2 CA TRP A 1 7.111 -4.190 2.013 1.00 70.02 C ATOM 3 C TRP A 1 6.180 -3.679 0.919 1.00 40.30 C ATOM 4 O TRP A 1 5.836 -2.498 0.886 1.00 72.04 O ATOM 5 CB TRP A 1 6.656 -3.663 3.375 1.00 42.44 C ATOM 6 CG TRP A 1 5.629 -4.531 4.035 1.00 74.21 C ATOM 7 CD1 TRP A 1 4.291 -4.571 3.762 1.00 40.42 C ATOM 8 CD2 TRP A 1 5.855 -5.484 5.080 1.00 40.44 C ATOM 9 NE1 TRP A 1 3.672 -5.490 4.574 1.00 63.20 N ATOM 10 CE2 TRP A 1 4.610 -6.065 5.391 1.00 40.52 C ATOM 11 CE3 TRP A 1 6.988 -5.904 5.781 1.00 43.20 C ATOM 12 CZ2 TRP A 1 4.469 -7.041 6.373 1.00 24.21 C ATOM 13 CZ3 TRP A 1 6.847 -6.873 6.756 1.00 50.12 C ATOM 14 CH2 TRP A 1 5.596 -7.434 7.044 1.00 14.42 C ATOM 0 H1 TRP A 1 9.105 -4.151 2.509 1.00 33.41 H new ATOM 0 H2 TRP A 1 8.798 -4.186 0.839 1.00 33.41 H new ATOM 0 H3 TRP A 1 8.552 -2.754 1.718 1.00 33.41 H new ATOM 0 HA TRP A 1 7.069 -5.279 2.021 1.00 70.02 H new ATOM 0 HB2 TRP A 1 7.522 -3.575 4.030 1.00 42.44 H new ATOM 0 HB3 TRP A 1 6.248 -2.660 3.250 1.00 42.44 H new ATOM 0 HD1 TRP A 1 3.793 -3.968 3.017 1.00 40.42 H new ATOM 0 HE1 TRP A 1 2.676 -5.709 4.570 1.00 63.20 H new ATOM 0 HE3 TRP A 1 7.957 -5.479 5.565 1.00 43.20 H new ATOM 0 HZ2 TRP A 1 3.505 -7.473 6.598 1.00 24.21 H new ATOM 0 HZ3 TRP A 1 7.716 -7.204 7.305 1.00 50.12 H new ATOM 0 HH2 TRP A 1 5.519 -8.191 7.810 1.00 14.42 H new ATOM 25 N GLY A 2 5.775 -4.576 0.025 1.00 42.32 N ATOM 26 CA GLY A 2 4.887 -4.195 -1.058 1.00 63.02 C ATOM 27 C GLY A 2 5.336 -4.746 -2.397 1.00 21.51 C ATOM 28 O GLY A 2 4.877 -5.806 -2.825 1.00 3.35 O ATOM 0 H GLY A 2 6.046 -5.559 0.031 1.00 42.32 H new ATOM 0 HA2 GLY A 2 3.880 -4.552 -0.841 1.00 63.02 H new ATOM 0 HA3 GLY A 2 4.834 -3.108 -1.115 1.00 63.02 H new ATOM 32 N TRP A 3 6.234 -4.027 -3.060 1.00 55.43 N ATOM 33 CA TRP A 3 6.743 -4.450 -4.360 1.00 0.22 C ATOM 34 C TRP A 3 7.442 -5.801 -4.257 1.00 32.02 C ATOM 35 O TRP A 3 7.209 -6.695 -5.070 1.00 61.43 O ATOM 36 CB TRP A 3 7.709 -3.403 -4.917 1.00 63.21 C ATOM 37 CG TRP A 3 7.018 -2.218 -5.519 1.00 50.53 C ATOM 38 CD1 TRP A 3 6.324 -1.248 -4.853 1.00 72.13 C ATOM 39 CD2 TRP A 3 6.953 -1.878 -6.909 1.00 10.34 C ATOM 40 NE1 TRP A 3 5.831 -0.326 -5.745 1.00 61.11 N ATOM 41 CE2 TRP A 3 6.204 -0.689 -7.012 1.00 60.21 C ATOM 42 CE3 TRP A 3 7.456 -2.460 -8.075 1.00 22.32 C ATOM 43 CZ2 TRP A 3 5.947 -0.076 -8.235 1.00 52.04 C ATOM 44 CZ3 TRP A 3 7.200 -1.851 -9.288 1.00 52.31 C ATOM 45 CH2 TRP A 3 6.451 -0.668 -9.361 1.00 65.21 C ATOM 0 H TRP A 3 6.625 -3.149 -2.719 1.00 55.43 H new ATOM 0 HA TRP A 3 5.896 -4.551 -5.039 1.00 0.22 H new ATOM 0 HB2 TRP A 3 8.366 -3.063 -4.117 1.00 63.21 H new ATOM 0 HB3 TRP A 3 8.342 -3.868 -5.673 1.00 63.21 H new ATOM 0 HD1 TRP A 3 6.183 -1.211 -3.783 1.00 72.13 H new ATOM 0 HE1 TRP A 3 5.277 0.496 -5.503 1.00 61.11 H new ATOM 0 HE3 TRP A 3 8.035 -3.370 -8.029 1.00 22.32 H new ATOM 0 HZ2 TRP A 3 5.370 0.835 -8.293 1.00 52.04 H new ATOM 0 HZ3 TRP A 3 7.583 -2.294 -10.196 1.00 52.31 H new ATOM 0 HH2 TRP A 3 6.268 -0.215 -10.324 1.00 65.21 H new ATOM 56 N LYS A 4 8.299 -5.944 -3.252 1.00 2.21 N ATOM 57 CA LYS A 4 9.031 -7.187 -3.041 1.00 44.01 C ATOM 58 C LYS A 4 8.073 -8.349 -2.803 1.00 31.31 C ATOM 59 O LYS A 4 8.370 -9.491 -3.151 1.00 24.53 O ATOM 60 CB LYS A 4 9.985 -7.046 -1.852 1.00 75.10 C ATOM 61 CG LYS A 4 11.094 -6.034 -2.079 1.00 23.24 C ATOM 62 CD LYS A 4 12.193 -6.600 -2.962 1.00 61.14 C ATOM 63 CE LYS A 4 12.943 -5.498 -3.694 1.00 42.31 C ATOM 64 NZ LYS A 4 13.513 -4.495 -2.752 1.00 50.11 N ATOM 0 H LYS A 4 8.504 -5.214 -2.570 1.00 2.21 H new ATOM 0 HA LYS A 4 9.610 -7.395 -3.941 1.00 44.01 H new ATOM 0 HB2 LYS A 4 9.413 -6.755 -0.971 1.00 75.10 H new ATOM 0 HB3 LYS A 4 10.430 -8.018 -1.636 1.00 75.10 H new ATOM 0 HG2 LYS A 4 10.681 -5.137 -2.541 1.00 23.24 H new ATOM 0 HG3 LYS A 4 11.515 -5.733 -1.120 1.00 23.24 H new ATOM 0 HD2 LYS A 4 12.891 -7.174 -2.353 1.00 61.14 H new ATOM 0 HD3 LYS A 4 11.760 -7.290 -3.686 1.00 61.14 H new ATOM 0 HE2 LYS A 4 13.746 -5.937 -4.287 1.00 42.31 H new ATOM 0 HE3 LYS A 4 12.268 -5.000 -4.390 1.00 42.31 H new ATOM 0 HZ1 LYS A 4 14.154 -3.859 -3.268 1.00 50.11 H new ATOM 0 HZ2 LYS A 4 12.743 -3.940 -2.328 1.00 50.11 H new ATOM 0 HZ3 LYS A 4 14.041 -4.984 -2.001 1.00 50.11 H new ATOM 78 N GLU A 5 6.922 -8.049 -2.209 1.00 72.33 N ATOM 79 CA GLU A 5 5.920 -9.070 -1.926 1.00 62.51 C ATOM 80 C GLU A 5 5.266 -9.562 -3.214 1.00 34.52 C ATOM 81 O GLU A 5 4.790 -10.696 -3.288 1.00 51.51 O ATOM 82 CB GLU A 5 4.854 -8.521 -0.977 1.00 14.14 C ATOM 83 CG GLU A 5 5.413 -8.029 0.348 1.00 51.34 C ATOM 84 CD GLU A 5 5.522 -9.133 1.381 1.00 11.33 C ATOM 85 OE1 GLU A 5 6.284 -10.094 1.144 1.00 12.51 O ATOM 86 OE2 GLU A 5 4.846 -9.036 2.427 1.00 72.44 O ATOM 0 H GLU A 5 6.661 -7.108 -1.915 1.00 72.33 H new ATOM 0 HA GLU A 5 6.421 -9.912 -1.449 1.00 62.51 H new ATOM 0 HB2 GLU A 5 4.331 -7.701 -1.468 1.00 14.14 H new ATOM 0 HB3 GLU A 5 4.116 -9.300 -0.784 1.00 14.14 H new ATOM 0 HG2 GLU A 5 6.398 -7.593 0.183 1.00 51.34 H new ATOM 0 HG3 GLU A 5 4.774 -7.236 0.736 1.00 51.34 H new ATOM 93 N VAL A 6 5.245 -8.702 -4.227 1.00 11.34 N ATOM 94 CA VAL A 6 4.650 -9.047 -5.512 1.00 33.52 C ATOM 95 C VAL A 6 5.483 -10.097 -6.239 1.00 2.40 C ATOM 96 O VAL A 6 5.003 -11.191 -6.534 1.00 63.14 O ATOM 97 CB VAL A 6 4.503 -7.808 -6.414 1.00 45.03 C ATOM 98 CG1 VAL A 6 3.894 -8.192 -7.754 1.00 40.41 C ATOM 99 CG2 VAL A 6 3.666 -6.742 -5.724 1.00 33.52 C ATOM 0 H VAL A 6 5.634 -7.760 -4.182 1.00 11.34 H new ATOM 0 HA VAL A 6 3.660 -9.453 -5.303 1.00 33.52 H new ATOM 0 HB VAL A 6 5.495 -7.395 -6.598 1.00 45.03 H new ATOM 0 HG11 VAL A 6 3.798 -7.303 -8.378 1.00 40.41 H new ATOM 0 HG12 VAL A 6 4.538 -8.917 -8.252 1.00 40.41 H new ATOM 0 HG13 VAL A 6 2.909 -8.631 -7.594 1.00 40.41 H new ATOM 0 HG21 VAL A 6 3.573 -5.874 -6.376 1.00 33.52 H new ATOM 0 HG22 VAL A 6 2.675 -7.141 -5.507 1.00 33.52 H new ATOM 0 HG23 VAL A 6 4.149 -6.446 -4.793 1.00 33.52 H new ATOM 109 N VAL A 7 6.736 -9.755 -6.525 1.00 32.32 N ATOM 110 CA VAL A 7 7.638 -10.668 -7.216 1.00 60.34 C ATOM 111 C VAL A 7 7.704 -12.017 -6.508 1.00 41.14 C ATOM 112 O VAL A 7 7.817 -13.060 -7.151 1.00 23.53 O ATOM 113 CB VAL A 7 9.059 -10.084 -7.317 1.00 44.41 C ATOM 114 CG1 VAL A 7 9.957 -10.999 -8.136 1.00 31.24 C ATOM 115 CG2 VAL A 7 9.019 -8.687 -7.918 1.00 40.30 C ATOM 0 H VAL A 7 7.149 -8.853 -6.289 1.00 32.32 H new ATOM 0 HA VAL A 7 7.238 -10.807 -8.220 1.00 60.34 H new ATOM 0 HB VAL A 7 9.475 -10.012 -6.312 1.00 44.41 H new ATOM 0 HG11 VAL A 7 10.957 -10.569 -8.196 1.00 31.24 H new ATOM 0 HG12 VAL A 7 10.011 -11.978 -7.659 1.00 31.24 H new ATOM 0 HG13 VAL A 7 9.548 -11.107 -9.140 1.00 31.24 H new ATOM 0 HG21 VAL A 7 10.032 -8.289 -7.982 1.00 40.30 H new ATOM 0 HG22 VAL A 7 8.583 -8.733 -8.916 1.00 40.30 H new ATOM 0 HG23 VAL A 7 8.413 -8.037 -7.287 1.00 40.30 H new ATOM 125 N GLN A 8 7.632 -11.987 -5.182 1.00 0.34 N ATOM 126 CA GLN A 8 7.684 -13.208 -4.386 1.00 51.33 C ATOM 127 C GLN A 8 6.603 -14.190 -4.825 1.00 54.51 C ATOM 128 O GLN A 8 6.745 -15.400 -4.658 1.00 11.12 O ATOM 129 CB GLN A 8 7.521 -12.881 -2.901 1.00 35.12 C ATOM 130 CG GLN A 8 7.727 -14.079 -1.988 1.00 63.23 C ATOM 131 CD GLN A 8 7.177 -13.853 -0.594 1.00 11.40 C ATOM 132 OE1 GLN A 8 7.903 -13.448 0.314 1.00 0.43 O ATOM 133 NE2 GLN A 8 5.887 -14.113 -0.417 1.00 30.31 N ATOM 0 H GLN A 8 7.537 -11.131 -4.636 1.00 0.34 H new ATOM 0 HA GLN A 8 8.657 -13.673 -4.543 1.00 51.33 H new ATOM 0 HB2 GLN A 8 8.232 -12.101 -2.629 1.00 35.12 H new ATOM 0 HB3 GLN A 8 6.523 -12.475 -2.734 1.00 35.12 H new ATOM 0 HG2 GLN A 8 7.245 -14.952 -2.427 1.00 63.23 H new ATOM 0 HG3 GLN A 8 8.792 -14.302 -1.922 1.00 63.23 H new ATOM 0 HE21 GLN A 8 5.322 -14.447 -1.198 1.00 30.31 H new ATOM 0 HE22 GLN A 8 5.461 -13.979 0.500 1.00 30.31 H new ATOM 142 N ASN A 9 5.521 -13.659 -5.387 1.00 63.03 N ATOM 143 CA ASN A 9 4.415 -14.489 -5.849 1.00 72.15 C ATOM 144 C ASN A 9 4.661 -14.980 -7.273 1.00 54.31 C ATOM 145 O ASN A 9 4.150 -16.023 -7.678 1.00 55.23 O ATOM 146 CB ASN A 9 3.102 -13.706 -5.787 1.00 71.04 C ATOM 147 CG ASN A 9 2.485 -13.720 -4.402 1.00 61.31 C ATOM 148 OD1 ASN A 9 2.741 -12.834 -3.587 1.00 42.33 O ATOM 149 ND2 ASN A 9 1.667 -14.730 -4.129 1.00 65.51 N ATOM 0 H ASN A 9 5.387 -12.658 -5.533 1.00 63.03 H new ATOM 0 HA ASN A 9 4.345 -15.356 -5.192 1.00 72.15 H new ATOM 0 HB2 ASN A 9 3.282 -12.675 -6.091 1.00 71.04 H new ATOM 0 HB3 ASN A 9 2.395 -14.130 -6.501 1.00 71.04 H new ATOM 0 HD21 ASN A 9 1.222 -14.793 -3.213 1.00 65.51 H new ATOM 0 HD22 ASN A 9 1.483 -15.443 -4.835 1.00 65.51 H new ATOM 156 N GLY A 10 5.448 -14.219 -8.028 1.00 31.11 N ATOM 157 CA GLY A 10 5.748 -14.593 -9.398 1.00 4.34 C ATOM 158 C GLY A 10 6.953 -15.507 -9.498 1.00 42.13 C ATOM 159 O GLY A 10 7.120 -16.216 -10.490 1.00 30.41 O ATOM 0 H GLY A 10 5.883 -13.351 -7.716 1.00 31.11 H new ATOM 0 HA2 GLY A 10 4.881 -15.090 -9.834 1.00 4.34 H new ATOM 0 HA3 GLY A 10 5.928 -13.693 -9.986 1.00 4.34 H new ATOM 163 N GLN A 11 7.795 -15.489 -8.470 1.00 44.22 N ATOM 164 CA GLN A 11 8.992 -16.321 -8.449 1.00 63.31 C ATOM 165 C GLN A 11 8.680 -17.709 -7.900 1.00 23.50 C ATOM 166 O GLN A 11 9.210 -18.713 -8.380 1.00 13.43 O ATOM 167 CB GLN A 11 10.084 -15.660 -7.606 1.00 63.04 C ATOM 168 CG GLN A 11 9.700 -15.477 -6.147 1.00 75.02 C ATOM 169 CD GLN A 11 10.757 -14.736 -5.353 1.00 63.12 C ATOM 170 OE1 GLN A 11 11.078 -13.521 -5.783 1.00 41.24 O flip ATOM 171 NE2 GLN A 11 11.281 -15.250 -4.364 1.00 34.10 N flip ATOM 0 H GLN A 11 7.670 -14.908 -7.641 1.00 44.22 H new ATOM 0 HA GLN A 11 9.348 -16.427 -9.474 1.00 63.31 H new ATOM 0 HB2 GLN A 11 10.990 -16.264 -7.662 1.00 63.04 H new ATOM 0 HB3 GLN A 11 10.323 -14.687 -8.035 1.00 63.04 H new ATOM 0 HG2 GLN A 11 8.758 -14.931 -6.089 1.00 75.02 H new ATOM 0 HG3 GLN A 11 9.530 -16.454 -5.695 1.00 75.02 H new ATOM 0 HE21 GLN A 11 11.004 -16.186 -4.069 1.00 34.10 H new ATOM 0 HE22 GLN A 11 11.992 -14.739 -3.840 1.00 34.10 H new ATOM 180 N THR A 12 7.817 -17.761 -6.890 1.00 42.10 N ATOM 181 CA THR A 12 7.436 -19.025 -6.274 1.00 72.53 C ATOM 182 C THR A 12 6.973 -20.030 -7.323 1.00 72.11 C ATOM 183 O THR A 12 7.124 -21.239 -7.147 1.00 62.41 O ATOM 184 CB THR A 12 6.314 -18.829 -5.237 1.00 71.51 C ATOM 185 OG1 THR A 12 5.802 -20.101 -4.823 1.00 22.13 O ATOM 186 CG2 THR A 12 5.186 -17.986 -5.813 1.00 21.44 C ATOM 0 H THR A 12 7.369 -16.941 -6.481 1.00 42.10 H new ATOM 0 HA THR A 12 8.322 -19.411 -5.771 1.00 72.53 H new ATOM 0 HB THR A 12 6.732 -18.308 -4.376 1.00 71.51 H new ATOM 0 HG1 THR A 12 5.090 -19.968 -4.163 1.00 22.13 H new ATOM 0 HG21 THR A 12 4.405 -17.861 -5.063 1.00 21.44 H new ATOM 0 HG22 THR A 12 5.573 -17.008 -6.100 1.00 21.44 H new ATOM 0 HG23 THR A 12 4.771 -18.484 -6.689 1.00 21.44 H new ATOM 194 N ILE A 13 6.409 -19.522 -8.414 1.00 31.33 N ATOM 195 CA ILE A 13 5.926 -20.376 -9.492 1.00 33.34 C ATOM 196 C ILE A 13 7.003 -20.588 -10.550 1.00 53.12 C ATOM 197 O ILE A 13 6.999 -21.591 -11.263 1.00 73.45 O ATOM 198 CB ILE A 13 4.673 -19.782 -10.162 1.00 33.32 C ATOM 199 CG1 ILE A 13 3.560 -19.588 -9.130 1.00 55.23 C ATOM 200 CG2 ILE A 13 4.201 -20.682 -11.295 1.00 3.33 C ATOM 201 CD1 ILE A 13 3.167 -20.863 -8.417 1.00 41.21 C ATOM 0 H ILE A 13 6.275 -18.524 -8.575 1.00 31.33 H new ATOM 0 HA ILE A 13 5.668 -21.335 -9.043 1.00 33.34 H new ATOM 0 HB ILE A 13 4.929 -18.809 -10.580 1.00 33.32 H new ATOM 0 HG12 ILE A 13 3.884 -18.854 -8.392 1.00 55.23 H new ATOM 0 HG13 ILE A 13 2.683 -19.174 -9.627 1.00 55.23 H new ATOM 0 HG21 ILE A 13 3.315 -20.249 -11.759 1.00 3.33 H new ATOM 0 HG22 ILE A 13 4.992 -20.775 -12.040 1.00 3.33 H new ATOM 0 HG23 ILE A 13 3.958 -21.668 -10.899 1.00 3.33 H new ATOM 0 HD11 ILE A 13 2.374 -20.650 -7.701 1.00 41.21 H new ATOM 0 HD12 ILE A 13 2.812 -21.592 -9.145 1.00 41.21 H new ATOM 0 HD13 ILE A 13 4.032 -21.267 -7.891 1.00 41.21 H new ATOM 213 N PHE A 14 7.926 -19.637 -10.646 1.00 13.43 N ATOM 214 CA PHE A 14 9.011 -19.719 -11.617 1.00 14.33 C ATOM 215 C PHE A 14 10.080 -20.704 -11.155 1.00 63.10 C ATOM 216 O PHE A 14 10.396 -21.666 -11.854 1.00 64.54 O ATOM 217 CB PHE A 14 9.633 -18.338 -11.836 1.00 22.35 C ATOM 218 CG PHE A 14 10.305 -18.188 -13.171 1.00 35.33 C ATOM 219 CD1 PHE A 14 11.663 -18.425 -13.309 1.00 33.04 C ATOM 220 CD2 PHE A 14 9.577 -17.810 -14.288 1.00 24.01 C ATOM 221 CE1 PHE A 14 12.284 -18.288 -14.536 1.00 34.31 C ATOM 222 CE2 PHE A 14 10.193 -17.672 -15.518 1.00 33.13 C ATOM 223 CZ PHE A 14 11.548 -17.910 -15.642 1.00 34.33 C ATOM 0 H PHE A 14 7.944 -18.800 -10.063 1.00 13.43 H new ATOM 0 HA PHE A 14 8.596 -20.076 -12.560 1.00 14.33 H new ATOM 0 HB2 PHE A 14 8.856 -17.579 -11.742 1.00 22.35 H new ATOM 0 HB3 PHE A 14 10.362 -18.147 -11.048 1.00 22.35 H new ATOM 0 HD1 PHE A 14 12.243 -18.720 -12.447 1.00 33.04 H new ATOM 0 HD2 PHE A 14 8.518 -17.621 -14.197 1.00 24.01 H new ATOM 0 HE1 PHE A 14 13.343 -18.476 -14.630 1.00 34.31 H new ATOM 0 HE2 PHE A 14 9.615 -17.378 -16.382 1.00 33.13 H new ATOM 0 HZ PHE A 14 12.031 -17.801 -16.602 1.00 34.33 H new ATOM 233 N SER A 15 10.634 -20.456 -9.973 1.00 3.15 N ATOM 234 CA SER A 15 11.672 -21.318 -9.418 1.00 53.23 C ATOM 235 C SER A 15 11.162 -22.747 -9.258 1.00 43.02 C ATOM 236 O SER A 15 11.862 -23.707 -9.581 1.00 54.30 O ATOM 237 CB SER A 15 12.144 -20.778 -8.067 1.00 65.40 C ATOM 238 OG SER A 15 13.355 -21.397 -7.666 1.00 34.20 O ATOM 0 H SER A 15 10.382 -19.665 -9.380 1.00 3.15 H new ATOM 0 HA SER A 15 12.513 -21.326 -10.111 1.00 53.23 H new ATOM 0 HB2 SER A 15 12.287 -19.699 -8.133 1.00 65.40 H new ATOM 0 HB3 SER A 15 11.376 -20.952 -7.314 1.00 65.40 H new ATOM 0 HG SER A 15 13.637 -21.034 -6.800 1.00 34.20 H new ATOM 244 N ALA A 16 9.939 -22.880 -8.757 1.00 55.50 N ATOM 245 CA ALA A 16 9.333 -24.190 -8.555 1.00 65.23 C ATOM 246 C ALA A 16 9.299 -24.985 -9.856 1.00 52.13 C ATOM 247 O ALA A 16 9.260 -26.214 -9.843 1.00 62.52 O ATOM 248 CB ALA A 16 7.930 -24.042 -7.988 1.00 14.33 C ATOM 0 H ALA A 16 9.347 -22.095 -8.483 1.00 55.50 H new ATOM 0 HA ALA A 16 9.945 -24.739 -7.839 1.00 65.23 H new ATOM 0 HB1 ALA A 16 7.490 -25.029 -7.843 1.00 14.33 H new ATOM 0 HB2 ALA A 16 7.977 -23.521 -7.032 1.00 14.33 H new ATOM 0 HB3 ALA A 16 7.315 -23.470 -8.683 1.00 14.33 H new ATOM 254 N GLY A 17 9.312 -24.274 -10.980 1.00 2.43 N ATOM 255 CA GLY A 17 9.281 -24.930 -12.274 1.00 10.14 C ATOM 256 C GLY A 17 10.453 -25.870 -12.476 1.00 1.35 C ATOM 257 O GLY A 17 10.408 -26.752 -13.332 1.00 70.20 O ATOM 0 H GLY A 17 9.343 -23.255 -11.017 1.00 2.43 H new ATOM 0 HA2 GLY A 17 8.350 -25.489 -12.372 1.00 10.14 H new ATOM 0 HA3 GLY A 17 9.285 -24.175 -13.061 1.00 10.14 H new ATOM 261 N GLN A 18 11.505 -25.679 -11.686 1.00 42.02 N ATOM 262 CA GLN A 18 12.695 -26.516 -11.785 1.00 2.22 C ATOM 263 C GLN A 18 12.565 -27.753 -10.902 1.00 44.14 C ATOM 264 O GLN A 18 12.842 -28.871 -11.337 1.00 71.04 O ATOM 265 CB GLN A 18 13.939 -25.719 -11.387 1.00 20.21 C ATOM 266 CG GLN A 18 14.067 -24.389 -12.111 1.00 14.43 C ATOM 267 CD GLN A 18 14.048 -24.540 -13.619 1.00 34.51 C ATOM 268 OE1 GLN A 18 14.555 -25.522 -14.162 1.00 21.20 O ATOM 269 NE2 GLN A 18 13.460 -23.567 -14.305 1.00 3.11 N ATOM 0 H GLN A 18 11.557 -24.953 -10.971 1.00 42.02 H new ATOM 0 HA GLN A 18 12.796 -26.840 -12.821 1.00 2.22 H new ATOM 0 HB2 GLN A 18 13.915 -25.537 -10.312 1.00 20.21 H new ATOM 0 HB3 GLN A 18 14.825 -26.320 -11.589 1.00 20.21 H new ATOM 0 HG2 GLN A 18 13.252 -23.734 -11.805 1.00 14.43 H new ATOM 0 HG3 GLN A 18 14.996 -23.904 -11.810 1.00 14.43 H new ATOM 0 HE21 GLN A 18 13.053 -22.771 -13.814 1.00 3.11 H new ATOM 0 HE22 GLN A 18 13.416 -23.615 -15.323 1.00 3.11 H new ATOM 278 N LYS A 19 12.143 -27.545 -9.660 1.00 23.53 N ATOM 279 CA LYS A 19 11.975 -28.643 -8.715 1.00 24.31 C ATOM 280 C LYS A 19 10.825 -29.552 -9.136 1.00 21.33 C ATOM 281 O LYS A 19 10.855 -30.760 -8.896 1.00 63.23 O ATOM 282 CB LYS A 19 11.720 -28.098 -7.308 1.00 1.11 C ATOM 283 CG LYS A 19 10.321 -27.538 -7.117 1.00 70.51 C ATOM 284 CD LYS A 19 10.104 -27.052 -5.694 1.00 22.00 C ATOM 285 CE LYS A 19 10.711 -25.674 -5.478 1.00 33.15 C ATOM 286 NZ LYS A 19 11.090 -25.452 -4.055 1.00 32.24 N ATOM 0 H LYS A 19 11.911 -26.626 -9.284 1.00 23.53 H new ATOM 0 HA LYS A 19 12.894 -29.229 -8.710 1.00 24.31 H new ATOM 0 HB2 LYS A 19 11.885 -28.895 -6.583 1.00 1.11 H new ATOM 0 HB3 LYS A 19 12.448 -27.316 -7.093 1.00 1.11 H new ATOM 0 HG2 LYS A 19 10.160 -26.714 -7.812 1.00 70.51 H new ATOM 0 HG3 LYS A 19 9.585 -28.306 -7.356 1.00 70.51 H new ATOM 0 HD2 LYS A 19 9.036 -27.018 -5.479 1.00 22.00 H new ATOM 0 HD3 LYS A 19 10.548 -27.760 -4.995 1.00 22.00 H new ATOM 0 HE2 LYS A 19 11.592 -25.562 -6.110 1.00 33.15 H new ATOM 0 HE3 LYS A 19 9.997 -24.910 -5.787 1.00 33.15 H new ATOM 0 HZ1 LYS A 19 11.500 -24.502 -3.949 1.00 32.24 H new ATOM 0 HZ2 LYS A 19 10.245 -25.534 -3.454 1.00 32.24 H new ATOM 0 HZ3 LYS A 19 11.790 -26.165 -3.767 1.00 32.24 H new ATOM 300 N LEU A 20 9.813 -28.965 -9.765 1.00 30.24 N ATOM 301 CA LEU A 20 8.653 -29.723 -10.221 1.00 13.23 C ATOM 302 C LEU A 20 8.877 -30.267 -11.628 1.00 35.01 C ATOM 303 O LEU A 20 7.961 -30.803 -12.250 1.00 73.41 O ATOM 304 CB LEU A 20 7.402 -28.843 -10.195 1.00 11.41 C ATOM 305 CG LEU A 20 6.855 -28.493 -8.810 1.00 65.12 C ATOM 306 CD1 LEU A 20 5.604 -27.638 -8.931 1.00 11.44 C ATOM 307 CD2 LEU A 20 6.564 -29.759 -8.017 1.00 4.42 C ATOM 0 H LEU A 20 9.772 -27.967 -9.971 1.00 30.24 H new ATOM 0 HA LEU A 20 8.511 -30.566 -9.544 1.00 13.23 H new ATOM 0 HB2 LEU A 20 7.625 -27.915 -10.721 1.00 11.41 H new ATOM 0 HB3 LEU A 20 6.616 -29.347 -10.757 1.00 11.41 H new ATOM 0 HG LEU A 20 7.612 -27.919 -8.275 1.00 65.12 H new ATOM 0 HD11 LEU A 20 5.229 -27.399 -7.936 1.00 11.44 H new ATOM 0 HD12 LEU A 20 5.844 -26.715 -9.460 1.00 11.44 H new ATOM 0 HD13 LEU A 20 4.841 -28.186 -9.484 1.00 11.44 H new ATOM 0 HD21 LEU A 20 6.176 -29.492 -7.034 1.00 4.42 H new ATOM 0 HD22 LEU A 20 5.825 -30.359 -8.548 1.00 4.42 H new ATOM 0 HD23 LEU A 20 7.482 -30.334 -7.900 1.00 4.42 H new ATOM 319 N GLY A 21 10.103 -30.127 -12.123 1.00 55.33 N ATOM 320 CA GLY A 21 10.425 -30.611 -13.453 1.00 3.03 C ATOM 321 C GLY A 21 11.808 -31.228 -13.525 1.00 41.42 C ATOM 322 O GLY A 21 12.310 -31.517 -14.611 1.00 11.54 O ATOM 0 H GLY A 21 10.878 -29.687 -11.627 1.00 55.33 H new ATOM 0 HA2 GLY A 21 9.684 -31.351 -13.757 1.00 3.03 H new ATOM 0 HA3 GLY A 21 10.361 -29.786 -14.162 1.00 3.03 H new ATOM 326 N ASN A 22 12.426 -31.428 -12.366 1.00 24.31 N ATOM 327 CA ASN A 22 13.761 -32.013 -12.303 1.00 1.44 C ATOM 328 C ASN A 22 13.693 -33.535 -12.375 1.00 55.05 C ATOM 329 O ASN A 22 14.328 -34.155 -13.228 1.00 2.24 O ATOM 330 CB ASN A 22 14.468 -31.584 -11.015 1.00 53.20 C ATOM 331 CG ASN A 22 15.822 -32.246 -10.851 1.00 1.13 C ATOM 332 OD1 ASN A 22 16.614 -32.307 -11.791 1.00 51.24 O ATOM 333 ND2 ASN A 22 16.094 -32.746 -9.651 1.00 62.42 N ATOM 0 H ASN A 22 12.025 -31.194 -11.458 1.00 24.31 H new ATOM 0 HA ASN A 22 14.329 -31.652 -13.160 1.00 1.44 H new ATOM 0 HB2 ASN A 22 14.594 -30.501 -11.016 1.00 53.20 H new ATOM 0 HB3 ASN A 22 13.840 -31.831 -10.159 1.00 53.20 H new ATOM 0 HD21 ASN A 22 16.990 -33.203 -9.480 1.00 62.42 H new ATOM 0 HD22 ASN A 22 15.407 -32.673 -8.900 1.00 62.42 H new ATOM 340 N MET A 23 12.916 -34.131 -11.476 1.00 43.40 N ATOM 341 CA MET A 23 12.763 -35.580 -11.440 1.00 20.33 C ATOM 342 C MET A 23 11.896 -36.065 -12.598 1.00 4.43 C ATOM 343 O MET A 23 11.973 -37.225 -13.001 1.00 23.43 O ATOM 344 CB MET A 23 12.147 -36.016 -10.109 1.00 73.30 C ATOM 345 CG MET A 23 10.675 -35.660 -9.975 1.00 71.45 C ATOM 346 SD MET A 23 10.146 -35.527 -8.257 1.00 12.20 S ATOM 347 CE MET A 23 8.669 -34.529 -8.434 1.00 1.20 C ATOM 0 H MET A 23 12.383 -33.633 -10.763 1.00 43.40 H new ATOM 0 HA MET A 23 13.752 -36.027 -11.538 1.00 20.33 H new ATOM 0 HB2 MET A 23 12.263 -37.094 -10.000 1.00 73.30 H new ATOM 0 HB3 MET A 23 12.700 -35.552 -9.293 1.00 73.30 H new ATOM 0 HG2 MET A 23 10.486 -34.714 -10.483 1.00 71.45 H new ATOM 0 HG3 MET A 23 10.075 -36.418 -10.478 1.00 71.45 H new ATOM 0 HE1 MET A 23 8.225 -34.359 -7.453 1.00 1.20 H new ATOM 0 HE2 MET A 23 8.929 -33.571 -8.885 1.00 1.20 H new ATOM 0 HE3 MET A 23 7.953 -35.048 -9.071 1.00 1.20 H new ATOM 357 N VAL A 24 11.071 -35.168 -13.129 1.00 43.11 N ATOM 358 CA VAL A 24 10.191 -35.504 -14.241 1.00 53.04 C ATOM 359 C VAL A 24 10.986 -35.734 -15.522 1.00 13.42 C ATOM 360 O VAL A 24 10.924 -36.807 -16.120 1.00 34.15 O ATOM 361 CB VAL A 24 9.150 -34.396 -14.488 1.00 41.41 C ATOM 362 CG1 VAL A 24 8.055 -34.889 -15.422 1.00 4.11 C ATOM 363 CG2 VAL A 24 8.562 -33.915 -13.170 1.00 75.12 C ATOM 0 H VAL A 24 10.994 -34.203 -12.807 1.00 43.11 H new ATOM 0 HA VAL A 24 9.674 -36.424 -13.968 1.00 53.04 H new ATOM 0 HB VAL A 24 9.649 -33.553 -14.966 1.00 41.41 H new ATOM 0 HG11 VAL A 24 7.329 -34.092 -15.584 1.00 4.11 H new ATOM 0 HG12 VAL A 24 8.494 -35.180 -16.376 1.00 4.11 H new ATOM 0 HG13 VAL A 24 7.556 -35.749 -14.976 1.00 4.11 H new ATOM 0 HG21 VAL A 24 7.828 -33.132 -13.363 1.00 75.12 H new ATOM 0 HG22 VAL A 24 8.078 -34.749 -12.662 1.00 75.12 H new ATOM 0 HG23 VAL A 24 9.358 -33.519 -12.540 1.00 75.12 H new ATOM 373 N GLY A 25 11.734 -34.716 -15.938 1.00 21.31 N ATOM 374 CA GLY A 25 12.532 -34.827 -17.145 1.00 73.22 C ATOM 375 C GLY A 25 13.861 -35.513 -16.901 1.00 20.41 C ATOM 376 O GLY A 25 14.629 -35.747 -17.835 1.00 32.24 O ATOM 0 H GLY A 25 11.801 -33.817 -15.461 1.00 21.31 H new ATOM 0 HA2 GLY A 25 11.972 -35.383 -17.897 1.00 73.22 H new ATOM 0 HA3 GLY A 25 12.710 -33.832 -17.552 1.00 73.22 H new ATOM 380 N LYS A 26 14.136 -35.836 -15.642 1.00 32.14 N ATOM 381 CA LYS A 26 15.382 -36.499 -15.276 1.00 32.23 C ATOM 382 C LYS A 26 15.140 -37.561 -14.208 1.00 34.21 C ATOM 383 O LYS A 26 14.991 -37.245 -13.027 1.00 53.32 O ATOM 384 CB LYS A 26 16.399 -35.474 -14.769 1.00 63.33 C ATOM 385 CG LYS A 26 17.843 -35.880 -15.010 1.00 71.33 C ATOM 386 CD LYS A 26 18.261 -35.625 -16.449 1.00 4.35 C ATOM 387 CE LYS A 26 19.446 -36.491 -16.847 1.00 22.43 C ATOM 388 NZ LYS A 26 20.732 -35.943 -16.333 1.00 50.24 N ATOM 0 H LYS A 26 13.512 -35.649 -14.857 1.00 32.14 H new ATOM 0 HA LYS A 26 15.779 -36.987 -16.166 1.00 32.23 H new ATOM 0 HB2 LYS A 26 16.213 -34.518 -15.258 1.00 63.33 H new ATOM 0 HB3 LYS A 26 16.247 -35.321 -13.701 1.00 63.33 H new ATOM 0 HG2 LYS A 26 18.495 -35.324 -14.337 1.00 71.33 H new ATOM 0 HG3 LYS A 26 17.969 -36.937 -14.775 1.00 71.33 H new ATOM 0 HD2 LYS A 26 17.421 -35.827 -17.114 1.00 4.35 H new ATOM 0 HD3 LYS A 26 18.520 -34.573 -16.573 1.00 4.35 H new ATOM 0 HE2 LYS A 26 19.303 -37.501 -16.463 1.00 22.43 H new ATOM 0 HE3 LYS A 26 19.492 -36.566 -17.933 1.00 22.43 H new ATOM 0 HZ1 LYS A 26 21.515 -36.562 -16.626 1.00 50.24 H new ATOM 0 HZ2 LYS A 26 20.882 -34.989 -16.719 1.00 50.24 H new ATOM 0 HZ3 LYS A 26 20.699 -35.895 -15.295 1.00 50.24 H new ATOM 402 N ILE A 27 15.103 -38.820 -14.630 1.00 71.50 N ATOM 403 CA ILE A 27 14.882 -39.928 -13.709 1.00 33.31 C ATOM 404 C ILE A 27 16.099 -40.155 -12.820 1.00 24.34 C ATOM 405 O ILE A 27 17.188 -40.464 -13.305 1.00 74.33 O ATOM 406 CB ILE A 27 14.561 -41.232 -14.463 1.00 73.13 C ATOM 407 CG1 ILE A 27 13.409 -41.008 -15.446 1.00 23.32 C ATOM 408 CG2 ILE A 27 14.218 -42.342 -13.481 1.00 14.34 C ATOM 409 CD1 ILE A 27 13.141 -42.196 -16.343 1.00 64.04 C ATOM 0 H ILE A 27 15.223 -39.098 -15.604 1.00 71.50 H new ATOM 0 HA ILE A 27 14.028 -39.657 -13.089 1.00 33.31 H new ATOM 0 HB ILE A 27 15.443 -41.534 -15.028 1.00 73.13 H new ATOM 0 HG12 ILE A 27 12.504 -40.775 -14.885 1.00 23.32 H new ATOM 0 HG13 ILE A 27 13.634 -40.139 -16.065 1.00 23.32 H new ATOM 0 HG21 ILE A 27 13.994 -43.257 -14.030 1.00 14.34 H new ATOM 0 HG22 ILE A 27 15.065 -42.515 -12.817 1.00 14.34 H new ATOM 0 HG23 ILE A 27 13.349 -42.050 -12.891 1.00 14.34 H new ATOM 0 HD11 ILE A 27 12.312 -41.966 -17.013 1.00 64.04 H new ATOM 0 HD12 ILE A 27 14.032 -42.417 -16.930 1.00 64.04 H new ATOM 0 HD13 ILE A 27 12.885 -43.062 -15.733 1.00 64.04 H new ATOM 421 N VAL A 28 15.908 -40.002 -11.513 1.00 41.31 N ATOM 422 CA VAL A 28 16.990 -40.193 -10.554 1.00 52.24 C ATOM 423 C VAL A 28 17.682 -41.534 -10.767 1.00 61.32 C ATOM 424 O VAL A 28 17.108 -42.478 -11.312 1.00 45.52 O ATOM 425 CB VAL A 28 16.475 -40.117 -9.105 1.00 31.53 C ATOM 426 CG1 VAL A 28 16.227 -38.672 -8.700 1.00 64.22 C ATOM 427 CG2 VAL A 28 15.211 -40.948 -8.945 1.00 73.41 C ATOM 0 H VAL A 28 15.014 -39.746 -11.094 1.00 41.31 H new ATOM 0 HA VAL A 28 17.706 -39.388 -10.719 1.00 52.24 H new ATOM 0 HB VAL A 28 17.239 -40.528 -8.445 1.00 31.53 H new ATOM 0 HG11 VAL A 28 15.863 -38.639 -7.673 1.00 64.22 H new ATOM 0 HG12 VAL A 28 17.157 -38.109 -8.774 1.00 64.22 H new ATOM 0 HG13 VAL A 28 15.482 -38.231 -9.363 1.00 64.22 H new ATOM 0 HG21 VAL A 28 14.861 -40.883 -7.915 1.00 73.41 H new ATOM 0 HG22 VAL A 28 14.439 -40.569 -9.615 1.00 73.41 H new ATOM 0 HG23 VAL A 28 15.426 -41.988 -9.190 1.00 73.41 H new ATOM 437 N PRO A 29 18.946 -41.624 -10.327 1.00 31.31 N ATOM 438 CA PRO A 29 19.744 -42.847 -10.457 1.00 43.20 C ATOM 439 C PRO A 29 19.245 -43.965 -9.549 1.00 13.14 C ATOM 440 O PRO A 29 19.582 -45.134 -9.742 1.00 51.33 O ATOM 441 CB PRO A 29 21.147 -42.401 -10.035 1.00 34.21 C ATOM 442 CG PRO A 29 20.919 -41.232 -9.141 1.00 3.53 C ATOM 443 CD PRO A 29 19.693 -40.540 -9.668 1.00 14.33 C ATOM 0 HA PRO A 29 19.697 -43.259 -11.465 1.00 43.20 H new ATOM 0 HB2 PRO A 29 21.677 -43.199 -9.515 1.00 34.21 H new ATOM 0 HB3 PRO A 29 21.752 -42.127 -10.899 1.00 34.21 H new ATOM 0 HG2 PRO A 29 20.773 -41.552 -8.109 1.00 3.53 H new ATOM 0 HG3 PRO A 29 21.779 -40.562 -9.148 1.00 3.53 H new ATOM 0 HD2 PRO A 29 19.114 -40.083 -8.866 1.00 14.33 H new ATOM 0 HD3 PRO A 29 19.950 -39.745 -10.369 1.00 14.33 H new ATOM 451 N LEU A 30 18.439 -43.600 -8.557 1.00 40.04 N ATOM 452 CA LEU A 30 17.892 -44.573 -7.618 1.00 72.25 C ATOM 453 C LEU A 30 16.610 -45.195 -8.164 1.00 23.11 C ATOM 454 O LEU A 30 15.947 -44.641 -9.041 1.00 32.32 O ATOM 455 CB LEU A 30 17.615 -43.909 -6.268 1.00 65.14 C ATOM 456 CG LEU A 30 18.811 -43.787 -5.323 1.00 62.12 C ATOM 457 CD1 LEU A 30 19.313 -45.164 -4.916 1.00 74.03 C ATOM 458 CD2 LEU A 30 19.926 -42.982 -5.975 1.00 23.51 C ATOM 0 H LEU A 30 18.150 -42.637 -8.383 1.00 40.04 H new ATOM 0 HA LEU A 30 18.629 -45.364 -7.482 1.00 72.25 H new ATOM 0 HB2 LEU A 30 17.219 -42.910 -6.451 1.00 65.14 H new ATOM 0 HB3 LEU A 30 16.833 -44.474 -5.761 1.00 65.14 H new ATOM 0 HG LEU A 30 18.488 -43.261 -4.425 1.00 62.12 H new ATOM 0 HD11 LEU A 30 20.164 -45.057 -4.244 1.00 74.03 H new ATOM 0 HD12 LEU A 30 18.516 -45.707 -4.408 1.00 74.03 H new ATOM 0 HD13 LEU A 30 19.620 -45.717 -5.804 1.00 74.03 H new ATOM 0 HD21 LEU A 30 20.769 -42.905 -5.288 1.00 23.51 H new ATOM 0 HD22 LEU A 30 20.247 -43.480 -6.890 1.00 23.51 H new ATOM 0 HD23 LEU A 30 19.561 -41.983 -6.215 1.00 23.51 H new ATOM 470 N PRO A 31 16.251 -46.373 -7.632 1.00 61.04 N ATOM 471 CA PRO A 31 15.045 -47.095 -8.049 1.00 11.50 C ATOM 472 C PRO A 31 13.767 -46.393 -7.603 1.00 54.44 C ATOM 473 O PRO A 31 12.683 -46.669 -8.118 1.00 71.03 O ATOM 474 CB PRO A 31 15.183 -48.449 -7.350 1.00 34.24 C ATOM 475 CG PRO A 31 16.044 -48.178 -6.164 1.00 55.25 C ATOM 476 CD PRO A 31 16.994 -47.091 -6.584 1.00 25.05 C ATOM 0 HA PRO A 31 14.967 -47.166 -9.134 1.00 11.50 H new ATOM 0 HB2 PRO A 31 14.211 -48.841 -7.052 1.00 34.24 H new ATOM 0 HB3 PRO A 31 15.637 -49.190 -8.008 1.00 34.24 H new ATOM 0 HG2 PRO A 31 15.444 -47.864 -5.310 1.00 55.25 H new ATOM 0 HG3 PRO A 31 16.585 -49.074 -5.861 1.00 55.25 H new ATOM 0 HD2 PRO A 31 17.248 -46.436 -5.751 1.00 25.05 H new ATOM 0 HD3 PRO A 31 17.930 -47.500 -6.964 1.00 25.05 H new ATOM 484 N PHE A 32 13.900 -45.483 -6.644 1.00 2.10 N ATOM 485 CA PHE A 32 12.755 -44.741 -6.129 1.00 22.33 C ATOM 486 C PHE A 32 11.647 -45.692 -5.685 1.00 53.43 C ATOM 487 O PHE A 32 10.480 -45.505 -6.029 1.00 21.52 O ATOM 488 CB PHE A 32 12.223 -43.780 -7.193 1.00 54.21 C ATOM 489 CG PHE A 32 11.505 -42.591 -6.621 1.00 41.55 C ATOM 490 CD1 PHE A 32 12.211 -41.566 -6.012 1.00 30.14 C ATOM 491 CD2 PHE A 32 10.124 -42.497 -6.694 1.00 25.35 C ATOM 492 CE1 PHE A 32 11.554 -40.470 -5.485 1.00 31.12 C ATOM 493 CE2 PHE A 32 9.462 -41.404 -6.169 1.00 10.30 C ATOM 494 CZ PHE A 32 10.177 -40.389 -5.563 1.00 24.52 C ATOM 0 H PHE A 32 14.790 -45.241 -6.207 1.00 2.10 H new ATOM 0 HA PHE A 32 13.085 -44.166 -5.264 1.00 22.33 H new ATOM 0 HB2 PHE A 32 13.055 -43.432 -7.806 1.00 54.21 H new ATOM 0 HB3 PHE A 32 11.545 -44.321 -7.853 1.00 54.21 H new ATOM 0 HD1 PHE A 32 13.288 -41.624 -5.948 1.00 30.14 H new ATOM 0 HD2 PHE A 32 9.559 -43.287 -7.167 1.00 25.35 H new ATOM 0 HE1 PHE A 32 12.116 -39.678 -5.013 1.00 31.12 H new ATOM 0 HE2 PHE A 32 8.386 -41.343 -6.232 1.00 10.30 H new ATOM 0 HZ PHE A 32 9.661 -39.534 -5.151 1.00 24.52 H new ATOM 504 N GLY A 33 12.021 -46.712 -4.920 1.00 22.15 N ATOM 505 CA GLY A 33 11.048 -47.677 -4.442 1.00 23.22 C ATOM 506 C GLY A 33 11.574 -48.508 -3.288 1.00 41.01 C ATOM 507 O GLY A 33 11.532 -49.737 -3.330 1.00 74.40 O ATOM 0 H GLY A 33 12.981 -46.888 -4.622 1.00 22.15 H new ATOM 0 HA2 GLY A 33 10.146 -47.153 -4.127 1.00 23.22 H new ATOM 0 HA3 GLY A 33 10.763 -48.337 -5.261 1.00 23.22 H new TER 511 GLY A 33