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 Set 1.1: A 5 THR OG1 : rot 180:sc= 1.13 USER MOD Set 1.2: A 10 THR OG1 : rot -83:sc= 0.749 USER MOD Single : A 1 ARG N :NH3+ 140:sc= 0.071 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 47:sc= 0.114 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 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.115 (180deg=-0.708) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.670 6.829 -26.899 1.00 32.54 N ATOM 2 CA ARG A 1 -7.318 5.570 -26.264 1.00 71.31 C ATOM 3 C ARG A 1 -7.456 5.684 -24.745 1.00 2.44 C ATOM 4 O ARG A 1 -7.301 6.768 -24.184 1.00 0.12 O ATOM 5 CB ARG A 1 -5.885 5.161 -26.610 1.00 20.50 C ATOM 6 CG ARG A 1 -5.867 4.120 -27.732 1.00 14.23 C ATOM 7 CD ARG A 1 -4.705 4.371 -28.694 1.00 42.33 C ATOM 8 NE ARG A 1 -5.027 5.503 -29.593 1.00 20.54 N ATOM 9 CZ ARG A 1 -4.170 6.016 -30.500 1.00 5.30 C ATOM 10 NH1 ARG A 1 -2.928 5.503 -30.637 1.00 54.22 N ATOM 11 NH2 ARG A 1 -4.563 7.028 -31.251 1.00 1.10 N ATOM 0 H1 ARG A 1 -7.014 7.017 -27.684 1.00 32.54 H new ATOM 0 H2 ARG A 1 -8.642 6.773 -27.265 1.00 32.54 H new ATOM 0 H3 ARG A 1 -7.606 7.599 -26.203 1.00 32.54 H new ATOM 0 HA ARG A 1 -8.002 4.808 -26.638 1.00 71.31 H new ATOM 0 HB2 ARG A 1 -5.316 6.039 -26.915 1.00 20.50 H new ATOM 0 HB3 ARG A 1 -5.395 4.755 -25.725 1.00 20.50 H new ATOM 0 HG2 ARG A 1 -5.781 3.121 -27.305 1.00 14.23 H new ATOM 0 HG3 ARG A 1 -6.810 4.153 -28.278 1.00 14.23 H new ATOM 0 HD2 ARG A 1 -3.797 4.589 -28.132 1.00 42.33 H new ATOM 0 HD3 ARG A 1 -4.508 3.474 -29.281 1.00 42.33 H new ATOM 0 HE ARG A 1 -5.955 5.921 -29.522 1.00 20.54 H new ATOM 0 HH11 ARG A 1 -2.632 4.722 -30.052 1.00 54.22 H new ATOM 0 HH12 ARG A 1 -2.287 5.897 -31.325 1.00 54.22 H new ATOM 0 HH21 ARG A 1 -5.502 7.410 -31.141 1.00 1.10 H new ATOM 0 HH22 ARG A 1 -3.927 7.428 -31.942 1.00 1.10 H new ATOM 24 N GLY A 2 -7.745 4.552 -24.121 1.00 72.55 N ATOM 25 CA GLY A 2 -7.906 4.511 -22.678 1.00 5.31 C ATOM 26 C GLY A 2 -6.915 3.533 -22.043 1.00 61.02 C ATOM 27 O GLY A 2 -5.742 3.858 -21.868 1.00 44.04 O ATOM 0 H GLY A 2 -7.872 3.655 -24.589 1.00 72.55 H new ATOM 0 HA2 GLY A 2 -7.755 5.508 -22.263 1.00 5.31 H new ATOM 0 HA3 GLY A 2 -8.925 4.214 -22.431 1.00 5.31 H new ATOM 31 N LYS A 3 -7.424 2.354 -21.716 1.00 1.43 N ATOM 32 CA LYS A 3 -6.599 1.327 -21.104 1.00 64.43 C ATOM 33 C LYS A 3 -5.960 0.472 -22.201 1.00 74.30 C ATOM 34 O LYS A 3 -6.660 -0.082 -23.047 1.00 73.33 O ATOM 35 CB LYS A 3 -7.412 0.519 -20.090 1.00 42.43 C ATOM 36 CG LYS A 3 -8.318 1.433 -19.263 1.00 34.11 C ATOM 37 CD LYS A 3 -9.121 0.627 -18.240 1.00 14.35 C ATOM 38 CE LYS A 3 -8.983 1.228 -16.839 1.00 74.30 C ATOM 39 NZ LYS A 3 -10.118 2.133 -16.549 1.00 44.22 N ATOM 0 H LYS A 3 -8.397 2.087 -21.863 1.00 1.43 H new ATOM 0 HA LYS A 3 -5.786 1.780 -20.537 1.00 64.43 H new ATOM 0 HB2 LYS A 3 -8.016 -0.223 -20.611 1.00 42.43 H new ATOM 0 HB3 LYS A 3 -6.738 -0.026 -19.429 1.00 42.43 H new ATOM 0 HG2 LYS A 3 -7.715 2.181 -18.749 1.00 34.11 H new ATOM 0 HG3 LYS A 3 -8.999 1.971 -19.923 1.00 34.11 H new ATOM 0 HD2 LYS A 3 -10.172 0.608 -18.530 1.00 14.35 H new ATOM 0 HD3 LYS A 3 -8.774 -0.406 -18.232 1.00 14.35 H new ATOM 0 HE2 LYS A 3 -8.947 0.431 -16.097 1.00 74.30 H new ATOM 0 HE3 LYS A 3 -8.044 1.777 -16.763 1.00 74.30 H new ATOM 0 HZ1 LYS A 3 -10.009 2.532 -15.595 1.00 44.22 H new ATOM 0 HZ2 LYS A 3 -10.134 2.904 -17.247 1.00 44.22 H new ATOM 0 HZ3 LYS A 3 -11.009 1.600 -16.601 1.00 44.22 H new ATOM 52 N TRP A 4 -4.639 0.391 -22.150 1.00 40.35 N ATOM 53 CA TRP A 4 -3.899 -0.387 -23.129 1.00 45.32 C ATOM 54 C TRP A 4 -4.034 -1.865 -22.758 1.00 44.12 C ATOM 55 O TRP A 4 -3.043 -2.522 -22.443 1.00 31.44 O ATOM 56 CB TRP A 4 -2.443 0.078 -23.212 1.00 13.31 C ATOM 57 CG TRP A 4 -1.949 0.325 -24.639 1.00 11.34 C ATOM 58 CD1 TRP A 4 -1.131 1.294 -25.072 1.00 51.13 C ATOM 59 CD2 TRP A 4 -2.277 -0.453 -25.809 1.00 25.21 C ATOM 60 NE1 TRP A 4 -0.908 1.198 -26.431 1.00 33.52 N ATOM 61 CE2 TRP A 4 -1.627 0.101 -26.893 1.00 0.01 C ATOM 62 CE3 TRP A 4 -3.094 -1.588 -25.947 1.00 35.52 C ATOM 63 CZ2 TRP A 4 -1.728 -0.412 -28.192 1.00 11.24 C ATOM 64 CZ3 TRP A 4 -3.185 -2.089 -27.251 1.00 52.12 C ATOM 65 CH2 TRP A 4 -2.538 -1.542 -28.353 1.00 63.51 C ATOM 0 H TRP A 4 -4.062 0.851 -21.446 1.00 40.35 H new ATOM 0 HA TRP A 4 -4.309 -0.240 -24.128 1.00 45.32 H new ATOM 0 HB2 TRP A 4 -2.332 0.997 -22.636 1.00 13.31 H new ATOM 0 HB3 TRP A 4 -1.806 -0.671 -22.742 1.00 13.31 H new ATOM 0 HD1 TRP A 4 -0.700 2.055 -24.438 1.00 51.13 H new ATOM 0 HE1 TRP A 4 -0.324 1.817 -26.993 1.00 33.52 H new ATOM 0 HE3 TRP A 4 -3.611 -2.038 -25.113 1.00 35.52 H new ATOM 0 HZ2 TRP A 4 -1.209 0.040 -29.024 1.00 11.24 H new ATOM 0 HZ3 TRP A 4 -3.801 -2.961 -27.412 1.00 52.12 H new ATOM 0 HH2 TRP A 4 -2.660 -1.987 -29.329 1.00 63.51 H new ATOM 76 N THR A 5 -5.268 -2.344 -22.808 1.00 63.35 N ATOM 77 CA THR A 5 -5.545 -3.733 -22.482 1.00 13.43 C ATOM 78 C THR A 5 -5.519 -4.594 -23.746 1.00 53.41 C ATOM 79 O THR A 5 -6.244 -4.321 -24.702 1.00 62.00 O ATOM 80 CB THR A 5 -6.881 -3.785 -21.738 1.00 73.30 C ATOM 81 OG1 THR A 5 -6.858 -2.633 -20.900 1.00 51.34 O ATOM 82 CG2 THR A 5 -6.960 -4.957 -20.757 1.00 62.13 C ATOM 0 H THR A 5 -6.087 -1.795 -23.069 1.00 63.35 H new ATOM 0 HA THR A 5 -4.776 -4.148 -21.830 1.00 13.43 H new ATOM 0 HB THR A 5 -7.695 -3.860 -22.460 1.00 73.30 H new ATOM 0 HG1 THR A 5 -7.689 -2.588 -20.382 1.00 51.34 H new ATOM 0 HG21 THR A 5 -7.928 -4.947 -20.256 1.00 62.13 H new ATOM 0 HG22 THR A 5 -6.842 -5.895 -21.300 1.00 62.13 H new ATOM 0 HG23 THR A 5 -6.167 -4.865 -20.015 1.00 62.13 H new ATOM 90 N TYR A 6 -4.677 -5.615 -23.710 1.00 62.53 N ATOM 91 CA TYR A 6 -4.547 -6.518 -24.842 1.00 22.25 C ATOM 92 C TYR A 6 -4.757 -7.971 -24.411 1.00 33.14 C ATOM 93 O TYR A 6 -3.796 -8.725 -24.266 1.00 10.11 O ATOM 94 CB TYR A 6 -3.114 -6.352 -25.351 1.00 23.31 C ATOM 95 CG TYR A 6 -2.632 -7.501 -26.239 1.00 52.03 C ATOM 96 CD1 TYR A 6 -3.180 -7.680 -27.493 1.00 40.23 C ATOM 97 CD2 TYR A 6 -1.650 -8.358 -25.787 1.00 20.53 C ATOM 98 CE1 TYR A 6 -2.727 -8.761 -28.330 1.00 2.05 C ATOM 99 CE2 TYR A 6 -1.197 -9.440 -26.623 1.00 2.31 C ATOM 100 CZ TYR A 6 -1.758 -9.588 -27.853 1.00 4.40 C ATOM 101 OH TYR A 6 -1.330 -10.609 -28.643 1.00 5.33 O ATOM 0 H TYR A 6 -4.078 -5.838 -22.915 1.00 62.53 H new ATOM 0 HA TYR A 6 -5.291 -6.287 -25.604 1.00 22.25 H new ATOM 0 HB2 TYR A 6 -3.044 -5.420 -25.911 1.00 23.31 H new ATOM 0 HB3 TYR A 6 -2.444 -6.261 -24.496 1.00 23.31 H new ATOM 0 HD1 TYR A 6 -3.949 -7.009 -27.847 1.00 40.23 H new ATOM 0 HD2 TYR A 6 -1.221 -8.218 -24.806 1.00 20.53 H new ATOM 0 HE1 TYR A 6 -3.147 -8.912 -29.314 1.00 2.05 H new ATOM 0 HE2 TYR A 6 -0.429 -10.118 -26.281 1.00 2.31 H new ATOM 0 HH TYR A 6 -0.635 -11.117 -28.174 1.00 5.33 H new ATOM 111 N ASN A 7 -6.021 -8.321 -24.218 1.00 4.43 N ATOM 112 CA ASN A 7 -6.369 -9.670 -23.806 1.00 54.22 C ATOM 113 C ASN A 7 -5.367 -10.154 -22.757 1.00 2.54 C ATOM 114 O ASN A 7 -4.748 -11.204 -22.921 1.00 53.14 O ATOM 115 CB ASN A 7 -6.318 -10.637 -24.990 1.00 71.33 C ATOM 116 CG ASN A 7 -7.473 -10.379 -25.960 1.00 42.32 C ATOM 117 OD1 ASN A 7 -8.263 -9.464 -25.795 1.00 73.11 O ATOM 118 ND2 ASN A 7 -7.526 -11.233 -26.978 1.00 42.21 N ATOM 0 H ASN A 7 -6.816 -7.694 -24.339 1.00 4.43 H new ATOM 0 HA ASN A 7 -7.381 -9.648 -23.401 1.00 54.22 H new ATOM 0 HB2 ASN A 7 -5.368 -10.527 -25.513 1.00 71.33 H new ATOM 0 HB3 ASN A 7 -6.365 -11.664 -24.628 1.00 71.33 H new ATOM 0 HD21 ASN A 7 -8.260 -11.144 -27.681 1.00 42.21 H new ATOM 0 HD22 ASN A 7 -6.833 -11.977 -27.056 1.00 42.21 H new ATOM 125 N GLY A 8 -5.237 -9.364 -21.700 1.00 72.15 N ATOM 126 CA GLY A 8 -4.320 -9.699 -20.624 1.00 53.31 C ATOM 127 C GLY A 8 -4.175 -8.532 -19.645 1.00 41.00 C ATOM 128 O GLY A 8 -5.169 -8.013 -19.140 1.00 72.10 O ATOM 0 H GLY A 8 -5.751 -8.493 -21.567 1.00 72.15 H new ATOM 0 HA2 GLY A 8 -4.682 -10.580 -20.094 1.00 53.31 H new ATOM 0 HA3 GLY A 8 -3.345 -9.954 -21.039 1.00 53.31 H new ATOM 132 N ILE A 9 -2.928 -8.153 -19.406 1.00 62.43 N ATOM 133 CA ILE A 9 -2.639 -7.058 -18.497 1.00 15.43 C ATOM 134 C ILE A 9 -2.442 -5.771 -19.301 1.00 70.23 C ATOM 135 O ILE A 9 -1.759 -5.773 -20.324 1.00 70.32 O ATOM 136 CB ILE A 9 -1.454 -7.407 -17.595 1.00 63.34 C ATOM 137 CG1 ILE A 9 -0.189 -7.650 -18.422 1.00 74.42 C ATOM 138 CG2 ILE A 9 -1.784 -8.596 -16.691 1.00 34.21 C ATOM 139 CD1 ILE A 9 0.845 -6.550 -18.179 1.00 10.42 C ATOM 0 H ILE A 9 -2.106 -8.586 -19.827 1.00 62.43 H new ATOM 0 HA ILE A 9 -3.481 -6.889 -17.826 1.00 15.43 H new ATOM 0 HB ILE A 9 -1.256 -6.554 -16.946 1.00 63.34 H new ATOM 0 HG12 ILE A 9 0.238 -8.619 -18.163 1.00 74.42 H new ATOM 0 HG13 ILE A 9 -0.444 -7.687 -19.481 1.00 74.42 H new ATOM 0 HG21 ILE A 9 -0.925 -8.823 -16.060 1.00 34.21 H new ATOM 0 HG22 ILE A 9 -2.640 -8.349 -16.063 1.00 34.21 H new ATOM 0 HG23 ILE A 9 -2.023 -9.464 -17.305 1.00 34.21 H new ATOM 0 HD11 ILE A 9 1.734 -6.747 -18.779 1.00 10.42 H new ATOM 0 HD12 ILE A 9 0.423 -5.585 -18.461 1.00 10.42 H new ATOM 0 HD13 ILE A 9 1.116 -6.532 -17.123 1.00 10.42 H new ATOM 151 N THR A 10 -3.052 -4.703 -18.809 1.00 34.54 N ATOM 152 CA THR A 10 -2.952 -3.413 -19.469 1.00 12.01 C ATOM 153 C THR A 10 -1.498 -2.937 -19.491 1.00 55.15 C ATOM 154 O THR A 10 -0.727 -3.244 -18.584 1.00 42.21 O ATOM 155 CB THR A 10 -3.898 -2.443 -18.758 1.00 32.42 C ATOM 156 OG1 THR A 10 -5.195 -2.977 -19.009 1.00 55.45 O ATOM 157 CG2 THR A 10 -3.928 -1.064 -19.419 1.00 1.35 C ATOM 0 H THR A 10 -3.618 -4.705 -17.960 1.00 34.54 H new ATOM 0 HA THR A 10 -3.256 -3.479 -20.514 1.00 12.01 H new ATOM 0 HB THR A 10 -3.595 -2.339 -17.716 1.00 32.42 H new ATOM 0 HG1 THR A 10 -5.509 -2.675 -19.887 1.00 55.45 H new ATOM 0 HG21 THR A 10 -4.614 -0.415 -18.875 1.00 1.35 H new ATOM 0 HG22 THR A 10 -2.928 -0.630 -19.402 1.00 1.35 H new ATOM 0 HG23 THR A 10 -4.263 -1.163 -20.452 1.00 1.35 H new ATOM 165 N TYR A 11 -1.169 -2.195 -20.538 1.00 44.32 N ATOM 166 CA TYR A 11 0.179 -1.673 -20.691 1.00 20.10 C ATOM 167 C TYR A 11 0.193 -0.147 -20.576 1.00 73.41 C ATOM 168 O TYR A 11 0.041 0.555 -21.574 1.00 55.22 O ATOM 169 CB TYR A 11 0.628 -2.071 -22.098 1.00 40.35 C ATOM 170 CG TYR A 11 0.774 -3.580 -22.302 1.00 4.02 C ATOM 171 CD1 TYR A 11 0.681 -4.434 -21.222 1.00 35.11 C ATOM 172 CD2 TYR A 11 1.000 -4.087 -23.565 1.00 62.44 C ATOM 173 CE1 TYR A 11 0.818 -5.855 -21.413 1.00 43.33 C ATOM 174 CE2 TYR A 11 1.138 -5.508 -23.757 1.00 10.02 C ATOM 175 CZ TYR A 11 1.040 -6.321 -22.671 1.00 63.53 C ATOM 176 OH TYR A 11 1.170 -7.663 -22.852 1.00 64.11 O ATOM 0 H TYR A 11 -1.812 -1.943 -21.289 1.00 44.32 H new ATOM 0 HA TYR A 11 0.834 -2.069 -19.915 1.00 20.10 H new ATOM 0 HB2 TYR A 11 -0.091 -1.685 -22.820 1.00 40.35 H new ATOM 0 HB3 TYR A 11 1.583 -1.592 -22.312 1.00 40.35 H new ATOM 0 HD1 TYR A 11 0.505 -4.037 -20.233 1.00 35.11 H new ATOM 0 HD2 TYR A 11 1.073 -3.418 -24.410 1.00 62.44 H new ATOM 0 HE1 TYR A 11 0.746 -6.534 -20.577 1.00 43.33 H new ATOM 0 HE2 TYR A 11 1.315 -5.918 -24.740 1.00 10.02 H new ATOM 0 HH TYR A 11 1.324 -7.852 -23.801 1.00 64.11 H new ATOM 186 N GLU A 12 0.377 0.320 -19.350 1.00 54.11 N ATOM 187 CA GLU A 12 0.412 1.750 -19.092 1.00 22.42 C ATOM 188 C GLU A 12 1.442 2.427 -19.998 1.00 53.33 C ATOM 189 O GLU A 12 2.483 1.848 -20.302 1.00 63.13 O ATOM 190 CB GLU A 12 0.709 2.033 -17.618 1.00 14.21 C ATOM 191 CG GLU A 12 2.081 1.486 -17.219 1.00 73.03 C ATOM 192 CD GLU A 12 1.987 0.650 -15.941 1.00 63.24 C ATOM 193 OE1 GLU A 12 0.965 0.699 -15.242 1.00 33.03 O ATOM 194 OE2 GLU A 12 3.026 -0.071 -15.685 1.00 34.53 O ATOM 0 H GLU A 12 0.503 -0.266 -18.525 1.00 54.11 H new ATOM 0 HA GLU A 12 -0.570 2.165 -19.318 1.00 22.42 H new ATOM 0 HB2 GLU A 12 0.675 3.107 -17.437 1.00 14.21 H new ATOM 0 HB3 GLU A 12 -0.062 1.580 -16.995 1.00 14.21 H new ATOM 0 HG2 GLU A 12 2.483 0.876 -18.028 1.00 73.03 H new ATOM 0 HG3 GLU A 12 2.776 2.312 -17.067 1.00 73.03 H new ATOM 202 N GLY A 13 1.114 3.645 -20.405 1.00 3.12 N ATOM 203 CA GLY A 13 1.998 4.408 -21.270 1.00 74.25 C ATOM 204 C GLY A 13 2.416 5.722 -20.607 1.00 33.52 C ATOM 205 O GLY A 13 2.564 5.785 -19.387 1.00 53.54 O ATOM 0 H GLY A 13 0.249 4.122 -20.152 1.00 3.12 H new ATOM 0 HA2 GLY A 13 2.883 3.817 -21.503 1.00 74.25 H new ATOM 0 HA3 GLY A 13 1.496 4.617 -22.215 1.00 74.25 H new ATOM 209 N GLY A 14 2.594 6.737 -21.439 1.00 2.13 N ATOM 210 CA GLY A 14 2.992 8.046 -20.948 1.00 22.52 C ATOM 211 C GLY A 14 1.771 8.873 -20.540 1.00 65.11 C ATOM 212 O GLY A 14 0.974 9.269 -21.389 1.00 32.34 O ATOM 0 H GLY A 14 2.470 6.680 -22.450 1.00 2.13 H new ATOM 0 HA2 GLY A 14 3.659 7.931 -20.094 1.00 22.52 H new ATOM 0 HA3 GLY A 14 3.551 8.574 -21.721 1.00 22.52 H new ATOM 216 N GLY A 15 1.664 9.110 -19.241 1.00 21.31 N ATOM 217 CA GLY A 15 0.554 9.883 -18.710 1.00 61.23 C ATOM 218 C GLY A 15 0.729 10.136 -17.211 1.00 70.35 C ATOM 219 O GLY A 15 1.841 10.376 -16.745 1.00 2.15 O ATOM 0 H GLY A 15 2.328 8.780 -18.540 1.00 21.31 H new ATOM 0 HA2 GLY A 15 0.484 10.834 -19.237 1.00 61.23 H new ATOM 0 HA3 GLY A 15 -0.381 9.351 -18.886 1.00 61.23 H new ATOM 223 N GLY A 16 -0.386 10.073 -16.499 1.00 74.12 N ATOM 224 CA GLY A 16 -0.370 10.292 -15.063 1.00 15.22 C ATOM 225 C GLY A 16 0.382 9.170 -14.345 1.00 70.21 C ATOM 226 O GLY A 16 1.611 9.123 -14.376 1.00 73.41 O ATOM 0 H GLY A 16 -1.307 9.873 -16.890 1.00 74.12 H new ATOM 0 HA2 GLY A 16 0.102 11.250 -14.843 1.00 15.22 H new ATOM 0 HA3 GLY A 16 -1.392 10.347 -14.689 1.00 15.22 H new ATOM 230 N GLY A 17 -0.387 8.294 -13.716 1.00 20.44 N ATOM 231 CA GLY A 17 0.192 7.175 -12.991 1.00 75.43 C ATOM 232 C GLY A 17 -0.666 5.917 -13.148 1.00 54.42 C ATOM 233 O GLY A 17 -0.278 4.979 -13.842 1.00 50.24 O ATOM 0 H GLY A 17 -1.406 8.336 -13.693 1.00 20.44 H new ATOM 0 HA2 GLY A 17 1.199 6.981 -13.359 1.00 75.43 H new ATOM 0 HA3 GLY A 17 0.282 7.429 -11.935 1.00 75.43 H new ATOM 237 N GLY A 18 -1.817 5.939 -12.492 1.00 0.24 N ATOM 238 CA GLY A 18 -2.733 4.813 -12.549 1.00 71.14 C ATOM 239 C GLY A 18 -3.073 4.310 -11.145 1.00 62.30 C ATOM 240 O GLY A 18 -2.178 4.039 -10.346 1.00 32.34 O ATOM 0 H GLY A 18 -2.136 6.719 -11.918 1.00 0.24 H new ATOM 0 HA2 GLY A 18 -3.647 5.109 -13.064 1.00 71.14 H new ATOM 0 HA3 GLY A 18 -2.287 4.006 -13.130 1.00 71.14 H new ATOM 244 N GLY A 19 -4.368 4.200 -10.888 1.00 22.04 N ATOM 245 CA GLY A 19 -4.837 3.734 -9.594 1.00 2.14 C ATOM 246 C GLY A 19 -6.307 4.100 -9.379 1.00 2.22 C ATOM 247 O GLY A 19 -6.967 4.595 -10.291 1.00 43.13 O ATOM 0 H GLY A 19 -5.107 4.426 -11.554 1.00 22.04 H new ATOM 0 HA2 GLY A 19 -4.714 2.653 -9.526 1.00 2.14 H new ATOM 0 HA3 GLY A 19 -4.230 4.174 -8.803 1.00 2.14 H new ATOM 251 N GLY A 20 -6.777 3.843 -8.167 1.00 63.21 N ATOM 252 CA GLY A 20 -8.156 4.139 -7.821 1.00 14.12 C ATOM 253 C GLY A 20 -8.669 3.182 -6.743 1.00 20.21 C ATOM 254 O GLY A 20 -9.335 2.194 -7.050 1.00 42.33 O ATOM 0 H GLY A 20 -6.227 3.433 -7.412 1.00 63.21 H new ATOM 0 HA2 GLY A 20 -8.233 5.167 -7.466 1.00 14.12 H new ATOM 0 HA3 GLY A 20 -8.782 4.061 -8.710 1.00 14.12 H new ATOM 258 N SER A 21 -8.339 3.508 -5.502 1.00 30.32 N ATOM 259 CA SER A 21 -8.758 2.689 -4.377 1.00 4.24 C ATOM 260 C SER A 21 -10.034 3.263 -3.758 1.00 50.12 C ATOM 261 O SER A 21 -9.974 4.184 -2.945 1.00 54.22 O ATOM 262 CB SER A 21 -7.653 2.596 -3.322 1.00 62.45 C ATOM 263 OG SER A 21 -7.072 3.867 -3.043 1.00 71.35 O ATOM 0 H SER A 21 -7.787 4.328 -5.251 1.00 30.32 H new ATOM 0 HA SER A 21 -8.960 1.683 -4.744 1.00 4.24 H new ATOM 0 HB2 SER A 21 -8.063 2.176 -2.404 1.00 62.45 H new ATOM 0 HB3 SER A 21 -6.878 1.911 -3.668 1.00 62.45 H new ATOM 0 HG SER A 21 -7.782 4.528 -2.907 1.00 71.35 H new ATOM 269 N ALA A 22 -11.159 2.695 -4.167 1.00 62.22 N ATOM 270 CA ALA A 22 -12.448 3.138 -3.664 1.00 4.35 C ATOM 271 C ALA A 22 -12.771 2.387 -2.370 1.00 43.43 C ATOM 272 O ALA A 22 -12.868 2.993 -1.304 1.00 51.22 O ATOM 273 CB ALA A 22 -13.515 2.932 -4.740 1.00 31.20 C ATOM 0 H ALA A 22 -11.204 1.931 -4.842 1.00 62.22 H new ATOM 0 HA ALA A 22 -12.423 4.202 -3.430 1.00 4.35 H new ATOM 0 HB1 ALA A 22 -14.482 3.264 -4.362 1.00 31.20 H new ATOM 0 HB2 ALA A 22 -13.254 3.510 -5.627 1.00 31.20 H new ATOM 0 HB3 ALA A 22 -13.571 1.875 -4.999 1.00 31.20 H new ATOM 279 N ALA A 23 -12.928 1.079 -2.507 1.00 31.01 N ATOM 280 CA ALA A 23 -13.238 0.239 -1.363 1.00 32.14 C ATOM 281 C ALA A 23 -11.968 -0.479 -0.903 1.00 63.12 C ATOM 282 O ALA A 23 -12.036 -1.448 -0.149 1.00 33.13 O ATOM 283 CB ALA A 23 -14.357 -0.736 -1.733 1.00 73.34 C ATOM 0 H ALA A 23 -12.846 0.580 -3.393 1.00 31.01 H new ATOM 0 HA ALA A 23 -13.595 0.844 -0.529 1.00 32.14 H new ATOM 0 HB1 ALA A 23 -14.589 -1.366 -0.874 1.00 73.34 H new ATOM 0 HB2 ALA A 23 -15.246 -0.176 -2.023 1.00 73.34 H new ATOM 0 HB3 ALA A 23 -14.034 -1.361 -2.565 1.00 73.34 H new ATOM 289 N GLU A 24 -10.838 0.024 -1.378 1.00 4.25 N ATOM 290 CA GLU A 24 -9.553 -0.557 -1.025 1.00 33.01 C ATOM 291 C GLU A 24 -8.833 0.327 -0.005 1.00 21.33 C ATOM 292 O GLU A 24 -7.897 -0.119 0.657 1.00 62.31 O ATOM 293 CB GLU A 24 -8.690 -0.774 -2.269 1.00 24.11 C ATOM 294 CG GLU A 24 -9.163 -1.996 -3.058 1.00 63.34 C ATOM 295 CD GLU A 24 -8.024 -3.001 -3.248 1.00 34.14 C ATOM 296 OE1 GLU A 24 -7.541 -3.582 -2.265 1.00 21.32 O ATOM 297 OE2 GLU A 24 -7.644 -3.170 -4.469 1.00 21.45 O ATOM 0 H GLU A 24 -10.785 0.827 -2.004 1.00 4.25 H new ATOM 0 HA GLU A 24 -9.729 -1.532 -0.571 1.00 33.01 H new ATOM 0 HB2 GLU A 24 -8.731 0.111 -2.904 1.00 24.11 H new ATOM 0 HB3 GLU A 24 -7.649 -0.907 -1.975 1.00 24.11 H new ATOM 0 HG2 GLU A 24 -9.991 -2.474 -2.534 1.00 63.34 H new ATOM 0 HG3 GLU A 24 -9.541 -1.681 -4.031 1.00 63.34 H new ATOM 305 N ALA A 25 -9.297 1.564 0.091 1.00 42.12 N ATOM 306 CA ALA A 25 -8.708 2.514 1.019 1.00 14.42 C ATOM 307 C ALA A 25 -9.631 2.677 2.229 1.00 51.33 C ATOM 308 O ALA A 25 -9.483 3.620 3.005 1.00 41.35 O ATOM 309 CB ALA A 25 -8.452 3.840 0.299 1.00 25.31 C ATOM 0 H ALA A 25 -10.074 1.930 -0.459 1.00 42.12 H new ATOM 0 HA ALA A 25 -7.747 2.150 1.383 1.00 14.42 H new ATOM 0 HB1 ALA A 25 -8.010 4.553 0.995 1.00 25.31 H new ATOM 0 HB2 ALA A 25 -7.769 3.676 -0.534 1.00 25.31 H new ATOM 0 HB3 ALA A 25 -9.395 4.237 -0.078 1.00 25.31 H new ATOM 315 N TYR A 26 -10.563 1.744 2.352 1.00 72.24 N ATOM 316 CA TYR A 26 -11.510 1.772 3.453 1.00 20.05 C ATOM 317 C TYR A 26 -11.296 0.582 4.391 1.00 72.43 C ATOM 318 O TYR A 26 -11.228 0.749 5.607 1.00 4.33 O ATOM 319 CB TYR A 26 -12.898 1.664 2.820 1.00 72.24 C ATOM 320 CG TYR A 26 -13.672 0.408 3.226 1.00 64.10 C ATOM 321 CD1 TYR A 26 -14.015 0.206 4.547 1.00 1.24 C ATOM 322 CD2 TYR A 26 -14.026 -0.524 2.271 1.00 12.50 C ATOM 323 CE1 TYR A 26 -14.743 -0.976 4.930 1.00 42.12 C ATOM 324 CE2 TYR A 26 -14.754 -1.706 2.654 1.00 51.45 C ATOM 325 CZ TYR A 26 -15.077 -1.873 3.964 1.00 25.51 C ATOM 326 OH TYR A 26 -15.764 -2.990 4.325 1.00 11.13 O ATOM 0 H TYR A 26 -10.683 0.963 1.707 1.00 72.24 H new ATOM 0 HA TYR A 26 -11.388 2.683 4.040 1.00 20.05 H new ATOM 0 HB2 TYR A 26 -13.481 2.543 3.096 1.00 72.24 H new ATOM 0 HB3 TYR A 26 -12.793 1.679 1.735 1.00 72.24 H new ATOM 0 HD1 TYR A 26 -13.737 0.935 5.294 1.00 1.24 H new ATOM 0 HD2 TYR A 26 -13.757 -0.367 1.237 1.00 12.50 H new ATOM 0 HE1 TYR A 26 -15.017 -1.146 5.961 1.00 42.12 H new ATOM 0 HE2 TYR A 26 -15.037 -2.443 1.917 1.00 51.45 H new ATOM 0 HH TYR A 26 -15.935 -3.540 3.532 1.00 11.13 H new ATOM 336 N ALA A 27 -11.197 -0.594 3.788 1.00 22.45 N ATOM 337 CA ALA A 27 -10.992 -1.812 4.554 1.00 32.30 C ATOM 338 C ALA A 27 -9.574 -1.817 5.128 1.00 42.24 C ATOM 339 O ALA A 27 -9.226 -2.686 5.925 1.00 23.02 O ATOM 340 CB ALA A 27 -11.265 -3.027 3.664 1.00 12.33 C ATOM 0 H ALA A 27 -11.255 -0.729 2.779 1.00 22.45 H new ATOM 0 HA ALA A 27 -11.687 -1.859 5.393 1.00 32.30 H new ATOM 0 HB1 ALA A 27 -11.111 -3.941 4.238 1.00 12.33 H new ATOM 0 HB2 ALA A 27 -12.294 -2.992 3.306 1.00 12.33 H new ATOM 0 HB3 ALA A 27 -10.584 -3.015 2.813 1.00 12.33 H new ATOM 346 N LYS A 28 -8.793 -0.836 4.699 1.00 54.31 N ATOM 347 CA LYS A 28 -7.421 -0.716 5.160 1.00 44.42 C ATOM 348 C LYS A 28 -7.390 0.107 6.449 1.00 13.43 C ATOM 349 O LYS A 28 -6.707 -0.255 7.405 1.00 24.13 O ATOM 350 CB LYS A 28 -6.530 -0.153 4.050 1.00 31.01 C ATOM 351 CG LYS A 28 -6.683 1.366 3.942 1.00 63.54 C ATOM 352 CD LYS A 28 -5.833 1.922 2.797 1.00 72.51 C ATOM 353 CE LYS A 28 -4.382 2.121 3.238 1.00 0.32 C ATOM 354 NZ LYS A 28 -3.454 1.521 2.254 1.00 23.11 N ATOM 0 H LYS A 28 -9.085 -0.117 4.037 1.00 54.31 H new ATOM 0 HA LYS A 28 -7.013 -1.698 5.398 1.00 44.42 H new ATOM 0 HB2 LYS A 28 -5.489 -0.404 4.252 1.00 31.01 H new ATOM 0 HB3 LYS A 28 -6.791 -0.617 3.099 1.00 31.01 H new ATOM 0 HG2 LYS A 28 -7.731 1.619 3.778 1.00 63.54 H new ATOM 0 HG3 LYS A 28 -6.385 1.833 4.881 1.00 63.54 H new ATOM 0 HD2 LYS A 28 -5.868 1.239 1.948 1.00 72.51 H new ATOM 0 HD3 LYS A 28 -6.248 2.872 2.459 1.00 72.51 H new ATOM 0 HE2 LYS A 28 -4.171 3.185 3.344 1.00 0.32 H new ATOM 0 HE3 LYS A 28 -4.228 1.666 4.217 1.00 0.32 H new ATOM 0 HZ1 LYS A 28 -2.473 1.665 2.569 1.00 23.11 H new ATOM 0 HZ2 LYS A 28 -3.645 0.502 2.173 1.00 23.11 H new ATOM 0 HZ3 LYS A 28 -3.590 1.974 1.328 1.00 23.11 H new ATOM 367 N ARG A 29 -8.140 1.200 6.434 1.00 21.31 N ATOM 368 CA ARG A 29 -8.208 2.077 7.590 1.00 5.23 C ATOM 369 C ARG A 29 -9.062 1.442 8.689 1.00 11.32 C ATOM 370 O ARG A 29 -8.711 1.503 9.866 1.00 20.25 O ATOM 371 CB ARG A 29 -8.799 3.437 7.216 1.00 51.44 C ATOM 372 CG ARG A 29 -8.223 3.939 5.890 1.00 10.50 C ATOM 373 CD ARG A 29 -8.481 5.437 5.712 1.00 12.12 C ATOM 374 NE ARG A 29 -8.089 5.860 4.349 1.00 21.12 N ATOM 375 CZ ARG A 29 -8.265 7.107 3.864 1.00 53.15 C ATOM 376 NH1 ARG A 29 -8.830 8.066 4.627 1.00 12.33 N ATOM 377 NH2 ARG A 29 -7.877 7.375 2.630 1.00 33.55 N ATOM 0 H ARG A 29 -8.706 1.498 5.639 1.00 21.31 H new ATOM 0 HA ARG A 29 -7.191 2.224 7.955 1.00 5.23 H new ATOM 0 HB2 ARG A 29 -9.883 3.358 7.139 1.00 51.44 H new ATOM 0 HB3 ARG A 29 -8.588 4.159 8.005 1.00 51.44 H new ATOM 0 HG2 ARG A 29 -7.151 3.745 5.858 1.00 10.50 H new ATOM 0 HG3 ARG A 29 -8.671 3.388 5.063 1.00 10.50 H new ATOM 0 HD2 ARG A 29 -9.536 5.655 5.880 1.00 12.12 H new ATOM 0 HD3 ARG A 29 -7.916 6.002 6.454 1.00 12.12 H new ATOM 0 HE ARG A 29 -7.659 5.166 3.738 1.00 21.12 H new ATOM 0 HH11 ARG A 29 -9.128 7.851 5.579 1.00 12.33 H new ATOM 0 HH12 ARG A 29 -8.959 9.006 4.252 1.00 12.33 H new ATOM 0 HH21 ARG A 29 -7.452 6.645 2.059 1.00 33.55 H new ATOM 0 HH22 ARG A 29 -8.003 8.312 2.248 1.00 33.55 H new ATOM 390 N ILE A 30 -10.168 0.848 8.265 1.00 22.25 N ATOM 391 CA ILE A 30 -11.075 0.202 9.199 1.00 53.41 C ATOM 392 C ILE A 30 -10.264 -0.482 10.301 1.00 34.02 C ATOM 393 O ILE A 30 -10.706 -0.557 11.447 1.00 55.24 O ATOM 394 CB ILE A 30 -12.024 -0.741 8.458 1.00 75.24 C ATOM 395 CG1 ILE A 30 -12.946 0.037 7.516 1.00 60.42 C ATOM 396 CG2 ILE A 30 -12.811 -1.611 9.440 1.00 12.24 C ATOM 397 CD1 ILE A 30 -14.396 -0.015 8.001 1.00 0.24 C ATOM 0 H ILE A 30 -10.457 0.800 7.288 1.00 22.25 H new ATOM 0 HA ILE A 30 -11.712 0.941 9.685 1.00 53.41 H new ATOM 0 HB ILE A 30 -11.425 -1.412 7.842 1.00 75.24 H new ATOM 0 HG12 ILE A 30 -12.617 1.074 7.454 1.00 60.42 H new ATOM 0 HG13 ILE A 30 -12.880 -0.379 6.511 1.00 60.42 H new ATOM 0 HG21 ILE A 30 -13.478 -2.272 8.887 1.00 12.24 H new ATOM 0 HG22 ILE A 30 -12.118 -2.208 10.033 1.00 12.24 H new ATOM 0 HG23 ILE A 30 -13.398 -0.974 10.101 1.00 12.24 H new ATOM 0 HD11 ILE A 30 -15.030 0.546 7.314 1.00 0.24 H new ATOM 0 HD12 ILE A 30 -14.730 -1.052 8.039 1.00 0.24 H new ATOM 0 HD13 ILE A 30 -14.463 0.424 8.996 1.00 0.24 H new ATOM 409 N ALA A 31 -9.092 -0.964 9.916 1.00 21.34 N ATOM 410 CA ALA A 31 -8.215 -1.640 10.858 1.00 72.03 C ATOM 411 C ALA A 31 -8.058 -0.777 12.112 1.00 74.35 C ATOM 412 O ALA A 31 -8.360 -1.223 13.218 1.00 53.14 O ATOM 413 CB ALA A 31 -6.874 -1.938 10.184 1.00 55.25 C ATOM 0 H ALA A 31 -8.729 -0.900 8.965 1.00 21.34 H new ATOM 0 HA ALA A 31 -8.644 -2.593 11.165 1.00 72.03 H new ATOM 0 HB1 ALA A 31 -6.216 -2.445 10.890 1.00 55.25 H new ATOM 0 HB2 ALA A 31 -7.037 -2.578 9.317 1.00 55.25 H new ATOM 0 HB3 ALA A 31 -6.412 -1.004 9.864 1.00 55.25 H new ATOM 419 N GLU A 32 -7.587 0.442 11.897 1.00 64.11 N ATOM 420 CA GLU A 32 -7.386 1.371 12.996 1.00 51.11 C ATOM 421 C GLU A 32 -8.697 1.585 13.756 1.00 43.11 C ATOM 422 O GLU A 32 -8.730 1.489 14.982 1.00 53.23 O ATOM 423 CB GLU A 32 -6.820 2.701 12.493 1.00 32.35 C ATOM 424 CG GLU A 32 -7.943 3.647 12.063 1.00 60.21 C ATOM 425 CD GLU A 32 -7.378 4.985 11.583 1.00 12.41 C ATOM 426 OE1 GLU A 32 -7.439 5.983 12.317 1.00 34.12 O ATOM 427 OE2 GLU A 32 -6.860 4.967 10.402 1.00 72.41 O ATOM 0 H GLU A 32 -7.339 0.808 10.978 1.00 64.11 H new ATOM 0 HA GLU A 32 -6.657 0.940 13.682 1.00 51.11 H new ATOM 0 HB2 GLU A 32 -6.227 3.168 13.279 1.00 32.35 H new ATOM 0 HB3 GLU A 32 -6.150 2.521 11.653 1.00 32.35 H new ATOM 0 HG2 GLU A 32 -8.526 3.187 11.265 1.00 60.21 H new ATOM 0 HG3 GLU A 32 -8.623 3.814 12.898 1.00 60.21 H new ATOM 435 N ALA A 33 -9.744 1.871 12.996 1.00 10.15 N ATOM 436 CA ALA A 33 -11.054 2.099 13.583 1.00 3.50 C ATOM 437 C ALA A 33 -11.356 0.990 14.593 1.00 51.35 C ATOM 438 O ALA A 33 -11.451 1.246 15.792 1.00 43.52 O ATOM 439 CB ALA A 33 -12.103 2.180 12.473 1.00 75.41 C ATOM 0 H ALA A 33 -9.712 1.950 11.980 1.00 10.15 H new ATOM 0 HA ALA A 33 -11.075 3.047 14.120 1.00 3.50 H new ATOM 0 HB1 ALA A 33 -13.086 2.351 12.913 1.00 75.41 H new ATOM 0 HB2 ALA A 33 -11.858 3.002 11.801 1.00 75.41 H new ATOM 0 HB3 ALA A 33 -12.114 1.245 11.914 1.00 75.41 H new ATOM 445 N MET A 34 -11.499 -0.219 14.070 1.00 54.32 N ATOM 446 CA MET A 34 -11.789 -1.368 14.910 1.00 11.14 C ATOM 447 C MET A 34 -10.696 -1.568 15.962 1.00 43.21 C ATOM 448 O MET A 34 -10.885 -2.307 16.926 1.00 22.25 O ATOM 449 CB MET A 34 -11.897 -2.622 14.041 1.00 30.30 C ATOM 450 CG MET A 34 -12.957 -2.445 12.952 1.00 11.01 C ATOM 451 SD MET A 34 -14.515 -1.975 13.687 1.00 65.31 S ATOM 452 CE MET A 34 -15.477 -3.437 13.335 1.00 24.14 C ATOM 0 H MET A 34 -11.419 -0.428 13.075 1.00 54.32 H new ATOM 0 HA MET A 34 -12.733 -1.189 15.424 1.00 11.14 H new ATOM 0 HB2 MET A 34 -10.931 -2.835 13.582 1.00 30.30 H new ATOM 0 HB3 MET A 34 -12.150 -3.480 14.664 1.00 30.30 H new ATOM 0 HG2 MET A 34 -12.636 -1.683 12.241 1.00 11.01 H new ATOM 0 HG3 MET A 34 -13.075 -3.373 12.393 1.00 11.01 H new ATOM 0 HE1 MET A 34 -16.486 -3.312 13.728 1.00 24.14 H new ATOM 0 HE2 MET A 34 -15.524 -3.591 12.257 1.00 24.14 H new ATOM 0 HE3 MET A 34 -15.009 -4.302 13.805 1.00 24.14 H new ATOM 462 N ALA A 35 -9.576 -0.896 15.740 1.00 42.32 N ATOM 463 CA ALA A 35 -8.452 -0.990 16.656 1.00 20.21 C ATOM 464 C ALA A 35 -8.561 0.118 17.706 1.00 60.51 C ATOM 465 O ALA A 35 -8.911 1.252 17.383 1.00 63.42 O ATOM 466 CB ALA A 35 -7.143 -0.919 15.867 1.00 22.45 C ATOM 0 H ALA A 35 -9.423 -0.284 14.939 1.00 42.32 H new ATOM 0 HA ALA A 35 -8.464 -1.945 17.182 1.00 20.21 H new ATOM 0 HB1 ALA A 35 -6.300 -0.989 16.554 1.00 22.45 H new ATOM 0 HB2 ALA A 35 -7.102 -1.744 15.156 1.00 22.45 H new ATOM 0 HB3 ALA A 35 -7.094 0.027 15.328 1.00 22.45 H new ATOM 472 N LYS A 36 -8.255 -0.250 18.941 1.00 21.04 N ATOM 473 CA LYS A 36 -8.314 0.698 20.041 1.00 51.43 C ATOM 474 C LYS A 36 -7.762 2.047 19.575 1.00 5.13 C ATOM 475 O LYS A 36 -6.973 2.107 18.633 1.00 4.14 O ATOM 476 CB LYS A 36 -7.604 0.135 21.273 1.00 2.12 C ATOM 477 CG LYS A 36 -8.337 -1.094 21.814 1.00 24.32 C ATOM 478 CD LYS A 36 -7.867 -1.434 23.230 1.00 5.31 C ATOM 479 CE LYS A 36 -6.517 -2.154 23.202 1.00 72.42 C ATOM 480 NZ LYS A 36 -6.641 -3.460 22.516 1.00 53.02 N ATOM 0 H LYS A 36 -7.965 -1.192 19.205 1.00 21.04 H new ATOM 0 HA LYS A 36 -9.347 0.864 20.346 1.00 51.43 H new ATOM 0 HB2 LYS A 36 -6.579 -0.132 21.016 1.00 2.12 H new ATOM 0 HB3 LYS A 36 -7.549 0.900 22.047 1.00 2.12 H new ATOM 0 HG2 LYS A 36 -9.411 -0.909 21.818 1.00 24.32 H new ATOM 0 HG3 LYS A 36 -8.163 -1.945 21.155 1.00 24.32 H new ATOM 0 HD2 LYS A 36 -7.784 -0.520 23.818 1.00 5.31 H new ATOM 0 HD3 LYS A 36 -8.609 -2.063 23.722 1.00 5.31 H new ATOM 0 HE2 LYS A 36 -5.779 -1.536 22.690 1.00 72.42 H new ATOM 0 HE3 LYS A 36 -6.157 -2.304 24.220 1.00 72.42 H new ATOM 0 HZ1 LYS A 36 -5.905 -4.107 22.865 1.00 53.02 H new ATOM 0 HZ2 LYS A 36 -7.579 -3.866 22.709 1.00 53.02 H new ATOM 0 HZ3 LYS A 36 -6.526 -3.326 21.491 1.00 53.02 H new ATOM 493 N GLY A 37 -8.198 3.096 20.257 1.00 44.22 N ATOM 494 CA GLY A 37 -7.757 4.440 19.925 1.00 5.30 C ATOM 495 C GLY A 37 -7.607 5.295 21.185 1.00 3.02 C ATOM 496 O GLY A 37 -7.798 6.509 21.142 1.00 10.33 O ATOM 0 H GLY A 37 -8.852 3.042 21.038 1.00 44.22 H new ATOM 0 HA2 GLY A 37 -6.805 4.394 19.397 1.00 5.30 H new ATOM 0 HA3 GLY A 37 -8.474 4.905 19.249 1.00 5.30 H new TER 500 GLY A 37