USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 242 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 ARG N :NH3+ -177:sc= 0 (180deg=-0.00184) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -153:sc= -0.107 (180deg=-0.645) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.777 -1.665 -29.077 1.00 4.42 N ATOM 2 CA ARG A 1 -6.460 -1.563 -28.470 1.00 32.41 C ATOM 3 C ARG A 1 -6.448 -0.460 -27.410 1.00 43.12 C ATOM 4 O ARG A 1 -6.422 0.724 -27.742 1.00 42.22 O ATOM 5 CB ARG A 1 -5.391 -1.263 -29.522 1.00 25.12 C ATOM 6 CG ARG A 1 -5.072 -2.509 -30.351 1.00 25.04 C ATOM 7 CD ARG A 1 -4.993 -2.171 -31.841 1.00 11.03 C ATOM 8 NE ARG A 1 -3.689 -2.605 -32.390 1.00 74.23 N ATOM 9 CZ ARG A 1 -2.576 -1.842 -32.390 1.00 23.25 C ATOM 10 NH1 ARG A 1 -2.598 -0.598 -31.867 1.00 53.41 N ATOM 11 NH2 ARG A 1 -1.464 -2.331 -32.907 1.00 74.34 N ATOM 0 H1 ARG A 1 -7.785 -2.451 -29.758 1.00 4.42 H new ATOM 0 H2 ARG A 1 -8.487 -1.840 -28.338 1.00 4.42 H new ATOM 0 H3 ARG A 1 -8.002 -0.777 -29.570 1.00 4.42 H new ATOM 0 HA ARG A 1 -6.235 -2.522 -28.003 1.00 32.41 H new ATOM 0 HB2 ARG A 1 -5.736 -0.464 -30.178 1.00 25.12 H new ATOM 0 HB3 ARG A 1 -4.485 -0.905 -29.033 1.00 25.12 H new ATOM 0 HG2 ARG A 1 -4.126 -2.937 -30.021 1.00 25.04 H new ATOM 0 HG3 ARG A 1 -5.839 -3.266 -30.186 1.00 25.04 H new ATOM 0 HD2 ARG A 1 -5.805 -2.663 -32.377 1.00 11.03 H new ATOM 0 HD3 ARG A 1 -5.119 -1.098 -31.986 1.00 11.03 H new ATOM 0 HE ARG A 1 -3.628 -3.540 -32.794 1.00 74.23 H new ATOM 0 HH11 ARG A 1 -3.460 -0.228 -31.468 1.00 53.41 H new ATOM 0 HH12 ARG A 1 -1.752 -0.028 -31.871 1.00 53.41 H new ATOM 0 HH21 ARG A 1 -1.455 -3.273 -33.299 1.00 74.34 H new ATOM 0 HH22 ARG A 1 -0.614 -1.767 -32.915 1.00 74.34 H new ATOM 24 N GLY A 2 -6.467 -0.887 -26.156 1.00 64.43 N ATOM 25 CA GLY A 2 -6.458 0.050 -25.046 1.00 23.31 C ATOM 26 C GLY A 2 -5.404 -0.341 -24.007 1.00 40.45 C ATOM 27 O GLY A 2 -4.531 0.459 -23.673 1.00 13.04 O ATOM 0 H GLY A 2 -6.489 -1.870 -25.884 1.00 64.43 H new ATOM 0 HA2 GLY A 2 -6.254 1.055 -25.415 1.00 23.31 H new ATOM 0 HA3 GLY A 2 -7.442 0.075 -24.579 1.00 23.31 H new ATOM 31 N LYS A 3 -5.520 -1.570 -23.527 1.00 1.32 N ATOM 32 CA LYS A 3 -4.588 -2.076 -22.533 1.00 51.23 C ATOM 33 C LYS A 3 -3.172 -1.615 -22.887 1.00 35.31 C ATOM 34 O LYS A 3 -2.632 -1.999 -23.923 1.00 42.30 O ATOM 35 CB LYS A 3 -4.725 -3.593 -22.395 1.00 25.43 C ATOM 36 CG LYS A 3 -4.694 -4.274 -23.765 1.00 11.03 C ATOM 37 CD LYS A 3 -3.675 -5.415 -23.787 1.00 71.15 C ATOM 38 CE LYS A 3 -4.281 -6.679 -24.400 1.00 74.31 C ATOM 39 NZ LYS A 3 -4.301 -6.581 -25.877 1.00 20.42 N ATOM 0 H LYS A 3 -6.245 -2.231 -23.808 1.00 1.32 H new ATOM 0 HA LYS A 3 -4.820 -1.667 -21.549 1.00 51.23 H new ATOM 0 HB2 LYS A 3 -3.917 -3.980 -21.775 1.00 25.43 H new ATOM 0 HB3 LYS A 3 -5.659 -3.833 -21.887 1.00 25.43 H new ATOM 0 HG2 LYS A 3 -5.684 -4.661 -24.005 1.00 11.03 H new ATOM 0 HG3 LYS A 3 -4.443 -3.543 -24.533 1.00 11.03 H new ATOM 0 HD2 LYS A 3 -2.798 -5.113 -24.360 1.00 71.15 H new ATOM 0 HD3 LYS A 3 -3.337 -5.625 -22.772 1.00 71.15 H new ATOM 0 HE2 LYS A 3 -3.703 -7.551 -24.095 1.00 74.31 H new ATOM 0 HE3 LYS A 3 -5.295 -6.822 -24.025 1.00 74.31 H new ATOM 0 HZ1 LYS A 3 -4.715 -7.447 -26.277 1.00 20.42 H new ATOM 0 HZ2 LYS A 3 -4.872 -5.760 -26.163 1.00 20.42 H new ATOM 0 HZ3 LYS A 3 -3.330 -6.467 -26.231 1.00 20.42 H new ATOM 52 N TRP A 4 -2.613 -0.800 -22.006 1.00 4.43 N ATOM 53 CA TRP A 4 -1.270 -0.283 -22.212 1.00 13.22 C ATOM 54 C TRP A 4 -0.340 -0.972 -21.211 1.00 43.54 C ATOM 55 O TRP A 4 -0.382 -0.681 -20.017 1.00 12.00 O ATOM 56 CB TRP A 4 -1.247 1.243 -22.098 1.00 23.32 C ATOM 57 CG TRP A 4 -1.905 1.782 -20.826 1.00 40.03 C ATOM 58 CD1 TRP A 4 -3.169 2.196 -20.664 1.00 0.14 C ATOM 59 CD2 TRP A 4 -1.277 1.950 -19.538 1.00 31.43 C ATOM 60 NE1 TRP A 4 -3.401 2.617 -19.370 1.00 21.22 N ATOM 61 CE2 TRP A 4 -2.214 2.462 -18.663 1.00 62.14 C ATOM 62 CE3 TRP A 4 0.039 1.677 -19.124 1.00 51.15 C ATOM 63 CZ2 TRP A 4 -1.935 2.746 -17.321 1.00 41.22 C ATOM 64 CZ3 TRP A 4 0.302 1.967 -17.780 1.00 74.21 C ATOM 65 CH2 TRP A 4 -0.630 2.483 -16.887 1.00 72.12 C ATOM 0 H TRP A 4 -3.065 -0.484 -21.148 1.00 4.43 H new ATOM 0 HA TRP A 4 -0.921 -0.505 -23.221 1.00 13.22 H new ATOM 0 HB2 TRP A 4 -0.212 1.584 -22.132 1.00 23.32 H new ATOM 0 HB3 TRP A 4 -1.752 1.670 -22.965 1.00 23.32 H new ATOM 0 HD1 TRP A 4 -3.913 2.200 -21.447 1.00 0.14 H new ATOM 0 HE1 TRP A 4 -4.281 2.976 -19.000 1.00 21.22 H new ATOM 0 HE3 TRP A 4 0.788 1.275 -19.791 1.00 51.15 H new ATOM 0 HZ2 TRP A 4 -2.686 3.146 -16.656 1.00 41.22 H new ATOM 0 HZ3 TRP A 4 1.299 1.776 -17.411 1.00 74.21 H new ATOM 0 HH2 TRP A 4 -0.349 2.680 -15.863 1.00 72.12 H new ATOM 76 N THR A 5 0.479 -1.871 -21.736 1.00 62.23 N ATOM 77 CA THR A 5 1.419 -2.604 -20.904 1.00 54.42 C ATOM 78 C THR A 5 2.508 -1.667 -20.378 1.00 14.21 C ATOM 79 O THR A 5 2.964 -0.776 -21.093 1.00 15.44 O ATOM 80 CB THR A 5 1.967 -3.772 -21.726 1.00 50.21 C ATOM 81 OG1 THR A 5 1.078 -4.847 -21.437 1.00 72.12 O ATOM 82 CG2 THR A 5 3.323 -4.262 -21.215 1.00 1.04 C ATOM 0 H THR A 5 0.512 -2.109 -22.727 1.00 62.23 H new ATOM 0 HA THR A 5 0.930 -3.012 -20.019 1.00 54.42 H new ATOM 0 HB THR A 5 2.060 -3.470 -22.769 1.00 50.21 H new ATOM 0 HG1 THR A 5 1.359 -5.646 -21.931 1.00 72.12 H new ATOM 0 HG21 THR A 5 3.667 -5.091 -21.833 1.00 1.04 H new ATOM 0 HG22 THR A 5 4.046 -3.448 -21.265 1.00 1.04 H new ATOM 0 HG23 THR A 5 3.224 -4.596 -20.182 1.00 1.04 H new ATOM 90 N TYR A 6 2.893 -1.901 -19.132 1.00 42.31 N ATOM 91 CA TYR A 6 3.920 -1.089 -18.502 1.00 3.23 C ATOM 92 C TYR A 6 5.080 -1.957 -18.008 1.00 75.04 C ATOM 93 O TYR A 6 5.078 -2.409 -16.865 1.00 30.54 O ATOM 94 CB TYR A 6 3.251 -0.421 -17.299 1.00 32.43 C ATOM 95 CG TYR A 6 4.136 0.599 -16.581 1.00 1.21 C ATOM 96 CD1 TYR A 6 4.338 1.848 -17.134 1.00 60.40 C ATOM 97 CD2 TYR A 6 4.733 0.272 -15.380 1.00 72.24 C ATOM 98 CE1 TYR A 6 5.171 2.808 -16.458 1.00 43.24 C ATOM 99 CE2 TYR A 6 5.566 1.232 -14.705 1.00 1.42 C ATOM 100 CZ TYR A 6 5.744 2.453 -15.277 1.00 41.31 C ATOM 101 OH TYR A 6 6.531 3.361 -14.639 1.00 61.41 O ATOM 0 H TYR A 6 2.512 -2.641 -18.542 1.00 42.31 H new ATOM 0 HA TYR A 6 4.325 -0.366 -19.210 1.00 3.23 H new ATOM 0 HB2 TYR A 6 2.340 0.075 -17.633 1.00 32.43 H new ATOM 0 HB3 TYR A 6 2.952 -1.192 -16.588 1.00 32.43 H new ATOM 0 HD1 TYR A 6 3.871 2.105 -18.073 1.00 60.40 H new ATOM 0 HD2 TYR A 6 4.575 -0.705 -14.947 1.00 72.24 H new ATOM 0 HE1 TYR A 6 5.337 3.788 -16.879 1.00 43.24 H new ATOM 0 HE2 TYR A 6 6.039 0.988 -13.765 1.00 1.42 H new ATOM 0 HH TYR A 6 6.872 2.971 -13.807 1.00 61.41 H new ATOM 111 N ASN A 7 6.041 -2.163 -18.896 1.00 25.43 N ATOM 112 CA ASN A 7 7.204 -2.969 -18.565 1.00 25.30 C ATOM 113 C ASN A 7 6.763 -4.412 -18.307 1.00 5.51 C ATOM 114 O ASN A 7 7.143 -5.010 -17.302 1.00 23.12 O ATOM 115 CB ASN A 7 7.892 -2.452 -17.300 1.00 14.41 C ATOM 116 CG ASN A 7 9.414 -2.546 -17.425 1.00 15.22 C ATOM 117 OD1 ASN A 7 10.012 -3.596 -17.260 1.00 21.14 O ATOM 118 ND2 ASN A 7 10.004 -1.393 -17.725 1.00 1.40 N ATOM 0 H ASN A 7 6.038 -1.786 -19.844 1.00 25.43 H new ATOM 0 HA ASN A 7 7.900 -2.914 -19.402 1.00 25.30 H new ATOM 0 HB2 ASN A 7 7.602 -1.417 -17.121 1.00 14.41 H new ATOM 0 HB3 ASN A 7 7.558 -3.030 -16.438 1.00 14.41 H new ATOM 0 HD21 ASN A 7 11.018 -1.351 -17.830 1.00 1.40 H new ATOM 0 HD22 ASN A 7 9.443 -0.550 -17.850 1.00 1.40 H new ATOM 125 N GLY A 8 5.968 -4.928 -19.232 1.00 51.21 N ATOM 126 CA GLY A 8 5.471 -6.288 -19.117 1.00 61.54 C ATOM 127 C GLY A 8 4.065 -6.310 -18.515 1.00 54.24 C ATOM 128 O GLY A 8 3.127 -6.807 -19.137 1.00 70.11 O ATOM 0 H GLY A 8 5.656 -4.429 -20.065 1.00 51.21 H new ATOM 0 HA2 GLY A 8 5.457 -6.758 -20.100 1.00 61.54 H new ATOM 0 HA3 GLY A 8 6.146 -6.874 -18.494 1.00 61.54 H new ATOM 132 N ILE A 9 3.962 -5.764 -17.313 1.00 1.05 N ATOM 133 CA ILE A 9 2.686 -5.714 -16.620 1.00 32.13 C ATOM 134 C ILE A 9 1.577 -5.393 -17.624 1.00 43.12 C ATOM 135 O ILE A 9 1.719 -4.484 -18.441 1.00 20.12 O ATOM 136 CB ILE A 9 2.752 -4.737 -15.444 1.00 23.31 C ATOM 137 CG1 ILE A 9 2.417 -5.441 -14.127 1.00 51.31 C ATOM 138 CG2 ILE A 9 1.855 -3.522 -15.689 1.00 65.23 C ATOM 139 CD1 ILE A 9 0.903 -5.567 -13.943 1.00 3.52 C ATOM 0 H ILE A 9 4.742 -5.352 -16.801 1.00 1.05 H new ATOM 0 HA ILE A 9 2.451 -6.685 -16.185 1.00 32.13 H new ATOM 0 HB ILE A 9 3.775 -4.370 -15.362 1.00 23.31 H new ATOM 0 HG12 ILE A 9 2.872 -6.431 -14.114 1.00 51.31 H new ATOM 0 HG13 ILE A 9 2.843 -4.883 -13.293 1.00 51.31 H new ATOM 0 HG21 ILE A 9 1.921 -2.844 -14.838 1.00 65.23 H new ATOM 0 HG22 ILE A 9 2.181 -3.005 -16.591 1.00 65.23 H new ATOM 0 HG23 ILE A 9 0.823 -3.851 -15.812 1.00 65.23 H new ATOM 0 HD11 ILE A 9 0.692 -6.071 -13.000 1.00 3.52 H new ATOM 0 HD12 ILE A 9 0.454 -4.574 -13.933 1.00 3.52 H new ATOM 0 HD13 ILE A 9 0.483 -6.146 -14.766 1.00 3.52 H new ATOM 151 N THR A 10 0.499 -6.157 -17.531 1.00 13.51 N ATOM 152 CA THR A 10 -0.633 -5.965 -18.421 1.00 55.43 C ATOM 153 C THR A 10 -1.780 -5.270 -17.684 1.00 42.41 C ATOM 154 O THR A 10 -2.300 -5.795 -16.701 1.00 64.30 O ATOM 155 CB THR A 10 -1.019 -7.329 -18.996 1.00 53.12 C ATOM 156 OG1 THR A 10 0.213 -8.042 -19.056 1.00 1.31 O ATOM 157 CG2 THR A 10 -1.471 -7.243 -20.456 1.00 11.15 C ATOM 0 H THR A 10 0.385 -6.910 -16.853 1.00 13.51 H new ATOM 0 HA THR A 10 -0.376 -5.307 -19.251 1.00 55.43 H new ATOM 0 HB THR A 10 -1.817 -7.763 -18.394 1.00 53.12 H new ATOM 0 HG1 THR A 10 0.054 -8.939 -19.417 1.00 1.31 H new ATOM 0 HG21 THR A 10 -1.733 -8.238 -20.815 1.00 11.15 H new ATOM 0 HG22 THR A 10 -2.340 -6.590 -20.530 1.00 11.15 H new ATOM 0 HG23 THR A 10 -0.661 -6.840 -21.064 1.00 11.15 H new ATOM 165 N TYR A 11 -2.141 -4.098 -18.187 1.00 65.34 N ATOM 166 CA TYR A 11 -3.216 -3.326 -17.589 1.00 41.20 C ATOM 167 C TYR A 11 -4.495 -3.430 -18.422 1.00 50.31 C ATOM 168 O TYR A 11 -4.705 -2.644 -19.345 1.00 24.10 O ATOM 169 CB TYR A 11 -2.740 -1.872 -17.587 1.00 2.24 C ATOM 170 CG TYR A 11 -1.878 -1.501 -16.378 1.00 65.44 C ATOM 171 CD1 TYR A 11 -1.163 -2.478 -15.715 1.00 62.21 C ATOM 172 CD2 TYR A 11 -1.814 -0.190 -15.952 1.00 33.55 C ATOM 173 CE1 TYR A 11 -0.351 -2.130 -14.578 1.00 12.42 C ATOM 174 CE2 TYR A 11 -1.003 0.158 -14.814 1.00 43.13 C ATOM 175 CZ TYR A 11 -0.311 -0.829 -14.184 1.00 11.44 C ATOM 176 OH TYR A 11 0.455 -0.499 -13.110 1.00 24.45 O ATOM 0 H TYR A 11 -1.707 -3.665 -19.002 1.00 65.34 H new ATOM 0 HA TYR A 11 -3.442 -3.694 -16.588 1.00 41.20 H new ATOM 0 HB2 TYR A 11 -2.170 -1.686 -18.497 1.00 2.24 H new ATOM 0 HB3 TYR A 11 -3.610 -1.216 -17.615 1.00 2.24 H new ATOM 0 HD1 TYR A 11 -1.213 -3.504 -16.049 1.00 62.21 H new ATOM 0 HD2 TYR A 11 -2.372 0.575 -16.472 1.00 33.55 H new ATOM 0 HE1 TYR A 11 0.213 -2.885 -14.050 1.00 12.42 H new ATOM 0 HE2 TYR A 11 -0.946 1.180 -14.469 1.00 43.13 H new ATOM 0 HH TYR A 11 0.388 0.465 -12.944 1.00 24.45 H new ATOM 186 N GLU A 12 -5.317 -4.406 -18.066 1.00 51.13 N ATOM 187 CA GLU A 12 -6.570 -4.623 -18.770 1.00 10.25 C ATOM 188 C GLU A 12 -7.697 -3.830 -18.104 1.00 4.03 C ATOM 189 O GLU A 12 -8.846 -4.269 -18.091 1.00 43.53 O ATOM 190 CB GLU A 12 -6.912 -6.113 -18.834 1.00 0.32 C ATOM 191 CG GLU A 12 -8.255 -6.337 -19.531 1.00 60.54 C ATOM 192 CD GLU A 12 -8.235 -7.625 -20.358 1.00 21.03 C ATOM 193 OE1 GLU A 12 -8.315 -8.726 -19.792 1.00 41.24 O ATOM 194 OE2 GLU A 12 -8.133 -7.453 -21.632 1.00 62.42 O ATOM 0 H GLU A 12 -5.140 -5.055 -17.300 1.00 51.13 H new ATOM 0 HA GLU A 12 -6.456 -4.266 -19.793 1.00 10.25 H new ATOM 0 HB2 GLU A 12 -6.127 -6.647 -19.369 1.00 0.32 H new ATOM 0 HB3 GLU A 12 -6.948 -6.525 -17.826 1.00 0.32 H new ATOM 0 HG2 GLU A 12 -9.050 -6.390 -18.788 1.00 60.54 H new ATOM 0 HG3 GLU A 12 -8.479 -5.489 -20.178 1.00 60.54 H new ATOM 202 N GLY A 13 -7.328 -2.676 -17.566 1.00 63.55 N ATOM 203 CA GLY A 13 -8.293 -1.818 -16.900 1.00 61.45 C ATOM 204 C GLY A 13 -8.737 -2.424 -15.568 1.00 33.34 C ATOM 205 O GLY A 13 -7.924 -2.983 -14.834 1.00 4.04 O ATOM 0 H GLY A 13 -6.374 -2.316 -17.578 1.00 63.55 H new ATOM 0 HA2 GLY A 13 -7.854 -0.835 -16.728 1.00 61.45 H new ATOM 0 HA3 GLY A 13 -9.160 -1.671 -17.544 1.00 61.45 H new ATOM 209 N GLY A 14 -10.027 -2.293 -15.295 1.00 73.03 N ATOM 210 CA GLY A 14 -10.590 -2.821 -14.064 1.00 4.43 C ATOM 211 C GLY A 14 -9.745 -2.410 -12.856 1.00 32.35 C ATOM 212 O GLY A 14 -8.723 -3.031 -12.569 1.00 22.23 O ATOM 0 H GLY A 14 -10.699 -1.828 -15.906 1.00 73.03 H new ATOM 0 HA2 GLY A 14 -11.610 -2.457 -13.940 1.00 4.43 H new ATOM 0 HA3 GLY A 14 -10.645 -3.908 -14.121 1.00 4.43 H new ATOM 216 N GLY A 15 -10.204 -1.367 -12.180 1.00 32.22 N ATOM 217 CA GLY A 15 -9.504 -0.867 -11.009 1.00 41.22 C ATOM 218 C GLY A 15 -9.396 0.659 -11.045 1.00 50.13 C ATOM 219 O GLY A 15 -8.394 1.203 -11.507 1.00 11.33 O ATOM 0 H GLY A 15 -11.052 -0.854 -12.421 1.00 32.22 H new ATOM 0 HA2 GLY A 15 -10.031 -1.177 -10.106 1.00 41.22 H new ATOM 0 HA3 GLY A 15 -8.507 -1.305 -10.962 1.00 41.22 H new ATOM 223 N GLY A 16 -10.442 1.306 -10.553 1.00 1.14 N ATOM 224 CA GLY A 16 -10.477 2.758 -10.523 1.00 14.43 C ATOM 225 C GLY A 16 -10.647 3.273 -9.092 1.00 11.50 C ATOM 226 O GLY A 16 -11.700 3.089 -8.483 1.00 3.11 O ATOM 0 H GLY A 16 -11.272 0.851 -10.172 1.00 1.14 H new ATOM 0 HA2 GLY A 16 -9.557 3.156 -10.950 1.00 14.43 H new ATOM 0 HA3 GLY A 16 -11.298 3.118 -11.143 1.00 14.43 H new ATOM 230 N GLY A 17 -9.595 3.909 -8.597 1.00 71.12 N ATOM 231 CA GLY A 17 -9.614 4.452 -7.250 1.00 35.15 C ATOM 232 C GLY A 17 -8.416 5.373 -7.012 1.00 63.50 C ATOM 233 O GLY A 17 -7.538 5.060 -6.209 1.00 62.12 O ATOM 0 H GLY A 17 -8.724 4.060 -9.105 1.00 71.12 H new ATOM 0 HA2 GLY A 17 -10.540 5.005 -7.090 1.00 35.15 H new ATOM 0 HA3 GLY A 17 -9.600 3.638 -6.526 1.00 35.15 H new ATOM 237 N GLY A 18 -8.417 6.489 -7.725 1.00 14.31 N ATOM 238 CA GLY A 18 -7.341 7.457 -7.602 1.00 1.52 C ATOM 239 C GLY A 18 -7.894 8.869 -7.398 1.00 0.43 C ATOM 240 O GLY A 18 -9.015 9.038 -6.920 1.00 22.20 O ATOM 0 H GLY A 18 -9.146 6.745 -8.390 1.00 14.31 H new ATOM 0 HA2 GLY A 18 -6.700 7.189 -6.762 1.00 1.52 H new ATOM 0 HA3 GLY A 18 -6.720 7.432 -8.498 1.00 1.52 H new ATOM 244 N GLY A 19 -7.082 9.848 -7.770 1.00 30.02 N ATOM 245 CA GLY A 19 -7.476 11.240 -7.634 1.00 30.14 C ATOM 246 C GLY A 19 -6.873 11.859 -6.371 1.00 41.53 C ATOM 247 O GLY A 19 -5.657 11.845 -6.189 1.00 24.14 O ATOM 0 H GLY A 19 -6.153 9.705 -8.166 1.00 30.02 H new ATOM 0 HA2 GLY A 19 -7.150 11.801 -8.510 1.00 30.14 H new ATOM 0 HA3 GLY A 19 -8.563 11.312 -7.596 1.00 30.14 H new ATOM 251 N GLY A 20 -7.751 12.389 -5.533 1.00 13.22 N ATOM 252 CA GLY A 20 -7.321 13.013 -4.293 1.00 23.30 C ATOM 253 C GLY A 20 -7.171 11.974 -3.180 1.00 34.33 C ATOM 254 O GLY A 20 -6.072 11.756 -2.672 1.00 53.12 O ATOM 0 H GLY A 20 -8.759 12.399 -5.688 1.00 13.22 H new ATOM 0 HA2 GLY A 20 -6.371 13.524 -4.449 1.00 23.30 H new ATOM 0 HA3 GLY A 20 -8.045 13.771 -3.993 1.00 23.30 H new ATOM 258 N SER A 21 -8.293 11.360 -2.833 1.00 30.33 N ATOM 259 CA SER A 21 -8.301 10.349 -1.789 1.00 22.11 C ATOM 260 C SER A 21 -7.420 10.796 -0.621 1.00 5.11 C ATOM 261 O SER A 21 -6.604 10.022 -0.122 1.00 34.14 O ATOM 262 CB SER A 21 -7.824 8.998 -2.327 1.00 12.23 C ATOM 263 OG SER A 21 -8.184 8.810 -3.693 1.00 14.33 O ATOM 0 H SER A 21 -9.203 11.543 -3.256 1.00 30.33 H new ATOM 0 HA SER A 21 -9.326 10.228 -1.437 1.00 22.11 H new ATOM 0 HB2 SER A 21 -6.741 8.929 -2.225 1.00 12.23 H new ATOM 0 HB3 SER A 21 -8.253 8.196 -1.725 1.00 12.23 H new ATOM 0 HG SER A 21 -7.860 7.937 -3.999 1.00 14.33 H new ATOM 269 N ALA A 22 -7.613 12.044 -0.219 1.00 71.41 N ATOM 270 CA ALA A 22 -6.846 12.603 0.881 1.00 51.21 C ATOM 271 C ALA A 22 -7.282 11.942 2.190 1.00 73.44 C ATOM 272 O ALA A 22 -8.270 12.352 2.798 1.00 62.34 O ATOM 273 CB ALA A 22 -7.025 14.122 0.908 1.00 52.45 C ATOM 0 H ALA A 22 -8.290 12.684 -0.636 1.00 71.41 H new ATOM 0 HA ALA A 22 -5.783 12.402 0.748 1.00 51.21 H new ATOM 0 HB1 ALA A 22 -6.450 14.542 1.733 1.00 52.45 H new ATOM 0 HB2 ALA A 22 -6.673 14.547 -0.032 1.00 52.45 H new ATOM 0 HB3 ALA A 22 -8.080 14.362 1.042 1.00 52.45 H new ATOM 279 N ALA A 23 -6.525 10.929 2.585 1.00 62.02 N ATOM 280 CA ALA A 23 -6.821 10.207 3.810 1.00 22.44 C ATOM 281 C ALA A 23 -8.151 9.468 3.653 1.00 34.11 C ATOM 282 O ALA A 23 -8.827 9.181 4.640 1.00 24.04 O ATOM 283 CB ALA A 23 -6.831 11.183 4.989 1.00 75.35 C ATOM 0 H ALA A 23 -5.707 10.591 2.078 1.00 62.02 H new ATOM 0 HA ALA A 23 -6.052 9.461 4.011 1.00 22.44 H new ATOM 0 HB1 ALA A 23 -7.053 10.641 5.908 1.00 75.35 H new ATOM 0 HB2 ALA A 23 -5.854 11.659 5.076 1.00 75.35 H new ATOM 0 HB3 ALA A 23 -7.593 11.945 4.824 1.00 75.35 H new ATOM 289 N GLU A 24 -8.488 9.181 2.404 1.00 14.13 N ATOM 290 CA GLU A 24 -9.726 8.481 2.105 1.00 12.30 C ATOM 291 C GLU A 24 -9.427 7.122 1.470 1.00 32.44 C ATOM 292 O GLU A 24 -10.031 6.115 1.838 1.00 71.03 O ATOM 293 CB GLU A 24 -10.627 9.323 1.199 1.00 43.12 C ATOM 294 CG GLU A 24 -11.033 10.627 1.888 1.00 3.41 C ATOM 295 CD GLU A 24 -12.444 11.050 1.474 1.00 21.13 C ATOM 296 OE1 GLU A 24 -12.740 11.129 0.273 1.00 41.52 O ATOM 297 OE2 GLU A 24 -13.247 11.299 2.452 1.00 12.14 O ATOM 0 H GLU A 24 -7.925 9.420 1.588 1.00 14.13 H new ATOM 0 HA GLU A 24 -10.261 8.314 3.040 1.00 12.30 H new ATOM 0 HB2 GLU A 24 -10.106 9.546 0.268 1.00 43.12 H new ATOM 0 HB3 GLU A 24 -11.519 8.754 0.936 1.00 43.12 H new ATOM 0 HG2 GLU A 24 -10.990 10.499 2.970 1.00 3.41 H new ATOM 0 HG3 GLU A 24 -10.324 11.414 1.632 1.00 3.41 H new ATOM 305 N ALA A 25 -8.495 7.136 0.529 1.00 73.02 N ATOM 306 CA ALA A 25 -8.109 5.916 -0.160 1.00 41.53 C ATOM 307 C ALA A 25 -7.698 4.862 0.870 1.00 53.14 C ATOM 308 O ALA A 25 -7.836 3.664 0.626 1.00 51.43 O ATOM 309 CB ALA A 25 -6.989 6.226 -1.156 1.00 74.43 C ATOM 0 H ALA A 25 -7.996 7.973 0.227 1.00 73.02 H new ATOM 0 HA ALA A 25 -8.948 5.513 -0.727 1.00 41.53 H new ATOM 0 HB1 ALA A 25 -6.699 5.312 -1.673 1.00 74.43 H new ATOM 0 HB2 ALA A 25 -7.341 6.958 -1.883 1.00 74.43 H new ATOM 0 HB3 ALA A 25 -6.129 6.629 -0.622 1.00 74.43 H new ATOM 315 N TYR A 26 -7.202 5.346 1.999 1.00 72.22 N ATOM 316 CA TYR A 26 -6.771 4.460 3.067 1.00 63.03 C ATOM 317 C TYR A 26 -7.942 4.087 3.977 1.00 15.32 C ATOM 318 O TYR A 26 -8.080 2.932 4.377 1.00 4.21 O ATOM 319 CB TYR A 26 -5.741 5.248 3.878 1.00 4.31 C ATOM 320 CG TYR A 26 -6.182 5.560 5.309 1.00 33.03 C ATOM 321 CD1 TYR A 26 -6.423 4.531 6.197 1.00 74.03 C ATOM 322 CD2 TYR A 26 -6.340 6.870 5.713 1.00 4.41 C ATOM 323 CE1 TYR A 26 -6.839 4.824 7.544 1.00 52.42 C ATOM 324 CE2 TYR A 26 -6.755 7.164 7.060 1.00 33.12 C ATOM 325 CZ TYR A 26 -6.985 6.126 7.909 1.00 4.40 C ATOM 326 OH TYR A 26 -7.377 6.403 9.181 1.00 13.53 O ATOM 0 H TYR A 26 -7.089 6.340 2.198 1.00 72.22 H new ATOM 0 HA TYR A 26 -6.363 3.536 2.658 1.00 63.03 H new ATOM 0 HB2 TYR A 26 -4.810 4.682 3.911 1.00 4.31 H new ATOM 0 HB3 TYR A 26 -5.527 6.184 3.362 1.00 4.31 H new ATOM 0 HD1 TYR A 26 -6.299 3.506 5.881 1.00 74.03 H new ATOM 0 HD2 TYR A 26 -6.152 7.675 5.018 1.00 4.41 H new ATOM 0 HE1 TYR A 26 -7.031 4.028 8.248 1.00 52.42 H new ATOM 0 HE2 TYR A 26 -6.881 8.185 7.389 1.00 33.12 H new ATOM 0 HH TYR A 26 -7.438 7.374 9.300 1.00 13.53 H new ATOM 336 N ALA A 27 -8.758 5.087 4.278 1.00 3.43 N ATOM 337 CA ALA A 27 -9.913 4.879 5.134 1.00 13.22 C ATOM 338 C ALA A 27 -11.005 4.155 4.343 1.00 5.01 C ATOM 339 O ALA A 27 -12.019 3.748 4.907 1.00 1.14 O ATOM 340 CB ALA A 27 -10.389 6.225 5.686 1.00 21.42 C ATOM 0 H ALA A 27 -8.642 6.044 3.944 1.00 3.43 H new ATOM 0 HA ALA A 27 -9.651 4.251 5.986 1.00 13.22 H new ATOM 0 HB1 ALA A 27 -11.256 6.069 6.328 1.00 21.42 H new ATOM 0 HB2 ALA A 27 -9.587 6.685 6.264 1.00 21.42 H new ATOM 0 HB3 ALA A 27 -10.663 6.881 4.860 1.00 21.42 H new ATOM 346 N LYS A 28 -10.759 4.016 3.049 1.00 50.34 N ATOM 347 CA LYS A 28 -11.708 3.348 2.174 1.00 11.23 C ATOM 348 C LYS A 28 -11.516 1.834 2.282 1.00 45.24 C ATOM 349 O LYS A 28 -12.488 1.086 2.364 1.00 20.52 O ATOM 350 CB LYS A 28 -11.589 3.884 0.746 1.00 73.51 C ATOM 351 CG LYS A 28 -11.766 2.760 -0.277 1.00 73.33 C ATOM 352 CD LYS A 28 -13.201 2.227 -0.264 1.00 43.42 C ATOM 353 CE LYS A 28 -13.699 1.960 -1.686 1.00 14.42 C ATOM 354 NZ LYS A 28 -13.704 0.508 -1.969 1.00 75.20 N ATOM 0 H LYS A 28 -9.916 4.354 2.585 1.00 50.34 H new ATOM 0 HA LYS A 28 -12.730 3.562 2.485 1.00 11.23 H new ATOM 0 HB2 LYS A 28 -12.341 4.655 0.579 1.00 73.51 H new ATOM 0 HB3 LYS A 28 -10.615 4.355 0.610 1.00 73.51 H new ATOM 0 HG2 LYS A 28 -11.520 3.128 -1.273 1.00 73.33 H new ATOM 0 HG3 LYS A 28 -11.071 1.950 -0.056 1.00 73.33 H new ATOM 0 HD2 LYS A 28 -13.246 1.308 0.320 1.00 43.42 H new ATOM 0 HD3 LYS A 28 -13.856 2.948 0.225 1.00 43.42 H new ATOM 0 HE2 LYS A 28 -14.704 2.364 -1.807 1.00 14.42 H new ATOM 0 HE3 LYS A 28 -13.060 2.474 -2.404 1.00 14.42 H new ATOM 0 HZ1 LYS A 28 -14.045 0.344 -2.938 1.00 75.20 H new ATOM 0 HZ2 LYS A 28 -12.739 0.132 -1.873 1.00 75.20 H new ATOM 0 HZ3 LYS A 28 -14.332 0.025 -1.295 1.00 75.20 H new ATOM 367 N ARG A 29 -10.254 1.428 2.277 1.00 13.50 N ATOM 368 CA ARG A 29 -9.922 0.017 2.373 1.00 42.21 C ATOM 369 C ARG A 29 -10.050 -0.461 3.820 1.00 34.35 C ATOM 370 O ARG A 29 -10.554 -1.555 4.074 1.00 2.41 O ATOM 371 CB ARG A 29 -8.498 -0.248 1.880 1.00 2.21 C ATOM 372 CG ARG A 29 -8.232 0.475 0.558 1.00 60.53 C ATOM 373 CD ARG A 29 -9.050 -0.143 -0.578 1.00 51.24 C ATOM 374 NE ARG A 29 -8.278 -0.099 -1.840 1.00 25.51 N ATOM 375 CZ ARG A 29 -8.265 0.954 -2.684 1.00 74.22 C ATOM 376 NH1 ARG A 29 -8.986 2.062 -2.408 1.00 24.21 N ATOM 377 NH2 ARG A 29 -7.539 0.884 -3.784 1.00 41.11 N ATOM 0 H ARG A 29 -9.450 2.052 2.208 1.00 13.50 H new ATOM 0 HA ARG A 29 -10.621 -0.532 1.742 1.00 42.21 H new ATOM 0 HB2 ARG A 29 -7.782 0.085 2.631 1.00 2.21 H new ATOM 0 HB3 ARG A 29 -8.348 -1.320 1.749 1.00 2.21 H new ATOM 0 HG2 ARG A 29 -8.483 1.531 0.660 1.00 60.53 H new ATOM 0 HG3 ARG A 29 -7.170 0.422 0.317 1.00 60.53 H new ATOM 0 HD2 ARG A 29 -9.305 -1.174 -0.334 1.00 51.24 H new ATOM 0 HD3 ARG A 29 -9.989 0.398 -0.697 1.00 51.24 H new ATOM 0 HE ARG A 29 -7.720 -0.916 -2.088 1.00 25.51 H new ATOM 0 HH11 ARG A 29 -9.546 2.107 -1.556 1.00 24.21 H new ATOM 0 HH12 ARG A 29 -8.971 2.854 -3.051 1.00 24.21 H new ATOM 0 HH21 ARG A 29 -6.999 0.043 -3.986 1.00 41.11 H new ATOM 0 HH22 ARG A 29 -7.518 1.671 -4.432 1.00 41.11 H new ATOM 390 N ILE A 30 -9.587 0.381 4.732 1.00 43.00 N ATOM 391 CA ILE A 30 -9.644 0.058 6.147 1.00 24.35 C ATOM 392 C ILE A 30 -10.954 -0.673 6.447 1.00 11.20 C ATOM 393 O ILE A 30 -10.983 -1.596 7.259 1.00 64.30 O ATOM 394 CB ILE A 30 -9.433 1.315 6.993 1.00 14.31 C ATOM 395 CG1 ILE A 30 -8.023 1.877 6.799 1.00 14.12 C ATOM 396 CG2 ILE A 30 -9.745 1.044 8.466 1.00 24.34 C ATOM 397 CD1 ILE A 30 -7.164 1.642 8.043 1.00 64.43 C ATOM 0 H ILE A 30 -9.170 1.287 4.518 1.00 43.00 H new ATOM 0 HA ILE A 30 -8.833 -0.618 6.416 1.00 24.35 H new ATOM 0 HB ILE A 30 -10.133 2.078 6.651 1.00 14.31 H new ATOM 0 HG12 ILE A 30 -7.555 1.405 5.935 1.00 14.12 H new ATOM 0 HG13 ILE A 30 -8.079 2.945 6.588 1.00 14.12 H new ATOM 0 HG21 ILE A 30 -9.587 1.954 9.045 1.00 24.34 H new ATOM 0 HG22 ILE A 30 -10.783 0.726 8.566 1.00 24.34 H new ATOM 0 HG23 ILE A 30 -9.088 0.258 8.839 1.00 24.34 H new ATOM 0 HD11 ILE A 30 -6.167 2.051 7.879 1.00 64.43 H new ATOM 0 HD12 ILE A 30 -7.622 2.136 8.900 1.00 64.43 H new ATOM 0 HD13 ILE A 30 -7.090 0.572 8.237 1.00 64.43 H new ATOM 409 N ALA A 31 -12.007 -0.232 5.775 1.00 14.52 N ATOM 410 CA ALA A 31 -13.318 -0.832 5.959 1.00 3.23 C ATOM 411 C ALA A 31 -13.167 -2.350 6.073 1.00 21.11 C ATOM 412 O ALA A 31 -13.593 -2.948 7.060 1.00 11.42 O ATOM 413 CB ALA A 31 -14.234 -0.422 4.805 1.00 40.14 C ATOM 0 H ALA A 31 -11.979 0.534 5.102 1.00 14.52 H new ATOM 0 HA ALA A 31 -13.777 -0.476 6.881 1.00 3.23 H new ATOM 0 HB1 ALA A 31 -15.217 -0.872 4.943 1.00 40.14 H new ATOM 0 HB2 ALA A 31 -14.331 0.663 4.786 1.00 40.14 H new ATOM 0 HB3 ALA A 31 -13.807 -0.765 3.862 1.00 40.14 H new ATOM 419 N GLU A 32 -12.559 -2.931 5.049 1.00 51.20 N ATOM 420 CA GLU A 32 -12.347 -4.368 5.022 1.00 43.03 C ATOM 421 C GLU A 32 -11.694 -4.833 6.325 1.00 34.02 C ATOM 422 O GLU A 32 -12.160 -5.784 6.951 1.00 25.13 O ATOM 423 CB GLU A 32 -11.504 -4.775 3.811 1.00 0.33 C ATOM 424 CG GLU A 32 -10.010 -4.661 4.120 1.00 2.42 C ATOM 425 CD GLU A 32 -9.167 -5.084 2.916 1.00 70.45 C ATOM 426 OE1 GLU A 32 -9.599 -5.937 2.125 1.00 14.35 O ATOM 427 OE2 GLU A 32 -8.025 -4.494 2.814 1.00 3.44 O ATOM 0 H GLU A 32 -12.207 -2.432 4.232 1.00 51.20 H new ATOM 0 HA GLU A 32 -13.317 -4.857 4.930 1.00 43.03 H new ATOM 0 HB2 GLU A 32 -11.743 -5.799 3.525 1.00 0.33 H new ATOM 0 HB3 GLU A 32 -11.753 -4.140 2.960 1.00 0.33 H new ATOM 0 HG2 GLU A 32 -9.769 -3.634 4.394 1.00 2.42 H new ATOM 0 HG3 GLU A 32 -9.764 -5.286 4.978 1.00 2.42 H new ATOM 435 N ALA A 33 -10.627 -4.141 6.695 1.00 12.34 N ATOM 436 CA ALA A 33 -9.906 -4.471 7.913 1.00 13.20 C ATOM 437 C ALA A 33 -10.864 -4.397 9.104 1.00 53.33 C ATOM 438 O ALA A 33 -11.220 -5.422 9.683 1.00 13.53 O ATOM 439 CB ALA A 33 -8.709 -3.531 8.069 1.00 52.15 C ATOM 0 H ALA A 33 -10.244 -3.353 6.173 1.00 12.34 H new ATOM 0 HA ALA A 33 -9.518 -5.488 7.865 1.00 13.20 H new ATOM 0 HB1 ALA A 33 -8.168 -3.779 8.983 1.00 52.15 H new ATOM 0 HB2 ALA A 33 -8.044 -3.643 7.212 1.00 52.15 H new ATOM 0 HB3 ALA A 33 -9.060 -2.501 8.123 1.00 52.15 H new ATOM 445 N MET A 34 -11.254 -3.174 9.433 1.00 33.13 N ATOM 446 CA MET A 34 -12.164 -2.953 10.544 1.00 11.24 C ATOM 447 C MET A 34 -13.425 -3.807 10.399 1.00 32.00 C ATOM 448 O MET A 34 -14.143 -4.031 11.372 1.00 30.24 O ATOM 449 CB MET A 34 -12.553 -1.474 10.600 1.00 64.04 C ATOM 450 CG MET A 34 -13.353 -1.071 9.360 1.00 54.12 C ATOM 451 SD MET A 34 -14.422 0.306 9.744 1.00 3.42 S ATOM 452 CE MET A 34 -15.644 -0.520 10.749 1.00 62.31 C ATOM 0 H MET A 34 -10.957 -2.326 8.950 1.00 33.13 H new ATOM 0 HA MET A 34 -11.658 -3.240 11.466 1.00 11.24 H new ATOM 0 HB2 MET A 34 -13.143 -1.283 11.496 1.00 64.04 H new ATOM 0 HB3 MET A 34 -11.655 -0.860 10.673 1.00 64.04 H new ATOM 0 HG2 MET A 34 -12.674 -0.800 8.551 1.00 54.12 H new ATOM 0 HG3 MET A 34 -13.946 -1.916 9.009 1.00 54.12 H new ATOM 0 HE1 MET A 34 -16.592 0.014 10.681 1.00 62.31 H new ATOM 0 HE2 MET A 34 -15.777 -1.542 10.394 1.00 62.31 H new ATOM 0 HE3 MET A 34 -15.311 -0.537 11.787 1.00 62.31 H new ATOM 462 N ALA A 35 -13.656 -4.260 9.176 1.00 74.42 N ATOM 463 CA ALA A 35 -14.818 -5.085 8.890 1.00 33.05 C ATOM 464 C ALA A 35 -14.551 -6.516 9.361 1.00 22.02 C ATOM 465 O ALA A 35 -15.405 -7.135 9.995 1.00 45.24 O ATOM 466 CB ALA A 35 -15.141 -5.013 7.397 1.00 61.34 C ATOM 0 H ALA A 35 -13.058 -4.072 8.371 1.00 74.42 H new ATOM 0 HA ALA A 35 -15.691 -4.718 9.430 1.00 33.05 H new ATOM 0 HB1 ALA A 35 -16.012 -5.632 7.183 1.00 61.34 H new ATOM 0 HB2 ALA A 35 -15.352 -3.980 7.120 1.00 61.34 H new ATOM 0 HB3 ALA A 35 -14.289 -5.376 6.822 1.00 61.34 H new ATOM 472 N LYS A 36 -13.362 -7.000 9.033 1.00 21.24 N ATOM 473 CA LYS A 36 -12.971 -8.347 9.415 1.00 51.22 C ATOM 474 C LYS A 36 -14.165 -9.288 9.241 1.00 43.00 C ATOM 475 O LYS A 36 -14.517 -10.025 10.160 1.00 35.22 O ATOM 476 CB LYS A 36 -12.383 -8.354 10.827 1.00 24.20 C ATOM 477 CG LYS A 36 -13.327 -7.671 11.818 1.00 30.12 C ATOM 478 CD LYS A 36 -12.740 -7.681 13.231 1.00 63.00 C ATOM 479 CE LYS A 36 -13.196 -8.919 14.005 1.00 25.35 C ATOM 480 NZ LYS A 36 -13.504 -8.568 15.410 1.00 41.23 N ATOM 0 H LYS A 36 -12.657 -6.484 8.507 1.00 21.24 H new ATOM 0 HA LYS A 36 -12.178 -8.713 8.763 1.00 51.22 H new ATOM 0 HB2 LYS A 36 -12.199 -9.381 11.143 1.00 24.20 H new ATOM 0 HB3 LYS A 36 -11.420 -7.844 10.826 1.00 24.20 H new ATOM 0 HG2 LYS A 36 -13.509 -6.643 11.503 1.00 30.12 H new ATOM 0 HG3 LYS A 36 -14.291 -8.180 11.817 1.00 30.12 H new ATOM 0 HD2 LYS A 36 -11.652 -7.662 13.177 1.00 63.00 H new ATOM 0 HD3 LYS A 36 -13.048 -6.781 13.763 1.00 63.00 H new ATOM 0 HE2 LYS A 36 -14.078 -9.348 13.529 1.00 25.35 H new ATOM 0 HE3 LYS A 36 -12.417 -9.680 13.977 1.00 25.35 H new ATOM 0 HZ1 LYS A 36 -13.812 -9.420 15.921 1.00 41.23 H new ATOM 0 HZ2 LYS A 36 -12.653 -8.180 15.865 1.00 41.23 H new ATOM 0 HZ3 LYS A 36 -14.263 -7.858 15.432 1.00 41.23 H new ATOM 493 N GLY A 37 -14.754 -9.232 8.055 1.00 23.35 N ATOM 494 CA GLY A 37 -15.900 -10.071 7.749 1.00 14.34 C ATOM 495 C GLY A 37 -15.804 -10.634 6.330 1.00 32.52 C ATOM 496 O GLY A 37 -15.631 -9.884 5.371 1.00 24.40 O ATOM 0 H GLY A 37 -14.459 -8.619 7.295 1.00 23.35 H new ATOM 0 HA2 GLY A 37 -15.957 -10.890 8.466 1.00 14.34 H new ATOM 0 HA3 GLY A 37 -16.817 -9.492 7.853 1.00 14.34 H new TER 500 GLY A 37