USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=6 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 -112:sc= -0.615 USER MOD Set 1.2: A 10 THR OG1 : rot 180:sc= 0.486 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (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= -0.153 K(o=-0.15,f=-2!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 173:sc= -3.29! 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.816 6.147 -27.296 1.00 20.21 N ATOM 2 CA ARG A 1 -5.662 5.436 -27.819 1.00 63.11 C ATOM 3 C ARG A 1 -4.515 5.468 -26.807 1.00 43.50 C ATOM 4 O ARG A 1 -3.853 6.493 -26.647 1.00 23.34 O ATOM 5 CB ARG A 1 -5.187 6.051 -29.137 1.00 72.33 C ATOM 6 CG ARG A 1 -4.857 4.963 -30.162 1.00 0.41 C ATOM 7 CD ARG A 1 -5.938 4.881 -31.242 1.00 1.04 C ATOM 8 NE ARG A 1 -5.483 5.576 -32.467 1.00 34.32 N ATOM 9 CZ ARG A 1 -4.761 4.990 -33.445 1.00 61.22 C ATOM 10 NH1 ARG A 1 -4.404 3.691 -33.350 1.00 11.34 N ATOM 11 NH2 ARG A 1 -4.408 5.706 -34.497 1.00 34.33 N ATOM 0 H1 ARG A 1 -7.587 6.117 -27.993 1.00 20.21 H new ATOM 0 H2 ARG A 1 -7.130 5.697 -26.413 1.00 20.21 H new ATOM 0 H3 ARG A 1 -6.558 7.137 -27.107 1.00 20.21 H new ATOM 0 HA ARG A 1 -5.963 4.404 -28.000 1.00 63.11 H new ATOM 0 HB2 ARG A 1 -5.960 6.708 -29.535 1.00 72.33 H new ATOM 0 HB3 ARG A 1 -4.306 6.667 -28.958 1.00 72.33 H new ATOM 0 HG2 ARG A 1 -3.892 5.174 -30.623 1.00 0.41 H new ATOM 0 HG3 ARG A 1 -4.766 4.000 -29.659 1.00 0.41 H new ATOM 0 HD2 ARG A 1 -6.161 3.838 -31.467 1.00 1.04 H new ATOM 0 HD3 ARG A 1 -6.861 5.333 -30.879 1.00 1.04 H new ATOM 0 HE ARG A 1 -5.731 6.559 -32.579 1.00 34.32 H new ATOM 0 HH11 ARG A 1 -4.680 3.145 -32.534 1.00 11.34 H new ATOM 0 HH12 ARG A 1 -3.858 3.256 -34.094 1.00 11.34 H new ATOM 0 HH21 ARG A 1 -4.681 6.687 -34.561 1.00 34.33 H new ATOM 0 HH22 ARG A 1 -3.862 5.278 -35.245 1.00 34.33 H new ATOM 24 N GLY A 2 -4.315 4.335 -26.151 1.00 2.14 N ATOM 25 CA GLY A 2 -3.259 4.221 -25.159 1.00 12.15 C ATOM 26 C GLY A 2 -3.219 2.813 -24.560 1.00 43.44 C ATOM 27 O GLY A 2 -3.699 2.593 -23.450 1.00 4.05 O ATOM 0 H GLY A 2 -4.866 3.487 -26.287 1.00 2.14 H new ATOM 0 HA2 GLY A 2 -2.298 4.452 -25.618 1.00 12.15 H new ATOM 0 HA3 GLY A 2 -3.419 4.953 -24.367 1.00 12.15 H new ATOM 31 N LYS A 3 -2.641 1.897 -25.324 1.00 13.14 N ATOM 32 CA LYS A 3 -2.532 0.517 -24.883 1.00 22.11 C ATOM 33 C LYS A 3 -1.054 0.143 -24.753 1.00 42.15 C ATOM 34 O LYS A 3 -0.354 0.008 -25.756 1.00 2.21 O ATOM 35 CB LYS A 3 -3.320 -0.407 -25.813 1.00 55.24 C ATOM 36 CG LYS A 3 -4.822 -0.125 -25.722 1.00 23.53 C ATOM 37 CD LYS A 3 -5.357 0.430 -27.043 1.00 10.21 C ATOM 38 CE LYS A 3 -6.143 -0.637 -27.808 1.00 41.40 C ATOM 39 NZ LYS A 3 -6.946 -0.016 -28.885 1.00 44.24 N ATOM 0 H LYS A 3 -2.244 2.084 -26.245 1.00 13.14 H new ATOM 0 HA LYS A 3 -2.980 0.396 -23.897 1.00 22.11 H new ATOM 0 HB2 LYS A 3 -2.982 -0.269 -26.840 1.00 55.24 H new ATOM 0 HB3 LYS A 3 -3.125 -1.447 -25.550 1.00 55.24 H new ATOM 0 HG2 LYS A 3 -5.353 -1.042 -25.467 1.00 23.53 H new ATOM 0 HG3 LYS A 3 -5.014 0.588 -24.920 1.00 23.53 H new ATOM 0 HD2 LYS A 3 -5.999 1.289 -26.847 1.00 10.21 H new ATOM 0 HD3 LYS A 3 -4.528 0.785 -27.655 1.00 10.21 H new ATOM 0 HE2 LYS A 3 -5.456 -1.368 -28.234 1.00 41.40 H new ATOM 0 HE3 LYS A 3 -6.797 -1.176 -27.123 1.00 41.40 H new ATOM 0 HZ1 LYS A 3 -7.473 -0.754 -29.394 1.00 44.24 H new ATOM 0 HZ2 LYS A 3 -7.615 0.664 -28.471 1.00 44.24 H new ATOM 0 HZ3 LYS A 3 -6.315 0.478 -29.548 1.00 44.24 H new ATOM 52 N TRP A 4 -0.623 -0.014 -23.510 1.00 43.45 N ATOM 53 CA TRP A 4 0.759 -0.369 -23.237 1.00 24.21 C ATOM 54 C TRP A 4 0.760 -1.582 -22.305 1.00 32.52 C ATOM 55 O TRP A 4 0.094 -1.575 -21.270 1.00 64.33 O ATOM 56 CB TRP A 4 1.530 0.823 -22.666 1.00 54.34 C ATOM 57 CG TRP A 4 0.880 1.451 -21.432 1.00 35.13 C ATOM 58 CD1 TRP A 4 0.011 2.470 -21.385 1.00 12.12 C ATOM 59 CD2 TRP A 4 1.083 1.056 -20.058 1.00 51.15 C ATOM 60 NE1 TRP A 4 -0.359 2.760 -20.087 1.00 50.12 N ATOM 61 CE2 TRP A 4 0.314 1.873 -19.255 1.00 74.31 C ATOM 62 CE3 TRP A 4 1.890 0.042 -19.513 1.00 42.23 C ATOM 63 CZ2 TRP A 4 0.276 1.760 -17.860 1.00 53.11 C ATOM 64 CZ3 TRP A 4 1.841 -0.057 -18.118 1.00 22.34 C ATOM 65 CH2 TRP A 4 1.072 0.757 -17.295 1.00 1.12 C ATOM 0 H TRP A 4 -1.206 0.098 -22.681 1.00 43.45 H new ATOM 0 HA TRP A 4 1.277 -0.636 -24.158 1.00 24.21 H new ATOM 0 HB2 TRP A 4 2.539 0.500 -22.408 1.00 54.34 H new ATOM 0 HB3 TRP A 4 1.627 1.584 -23.440 1.00 54.34 H new ATOM 0 HD1 TRP A 4 -0.354 2.998 -22.253 1.00 12.12 H new ATOM 0 HE1 TRP A 4 -1.007 3.491 -19.793 1.00 50.12 H new ATOM 0 HE3 TRP A 4 2.499 -0.609 -20.123 1.00 42.23 H new ATOM 0 HZ2 TRP A 4 -0.335 2.412 -17.253 1.00 53.11 H new ATOM 0 HZ3 TRP A 4 2.443 -0.820 -17.648 1.00 22.34 H new ATOM 0 HH2 TRP A 4 1.089 0.616 -16.224 1.00 1.12 H new ATOM 76 N THR A 5 1.514 -2.596 -22.705 1.00 1.41 N ATOM 77 CA THR A 5 1.610 -3.814 -21.918 1.00 51.43 C ATOM 78 C THR A 5 2.703 -3.678 -20.856 1.00 51.14 C ATOM 79 O THR A 5 3.677 -2.953 -21.052 1.00 40.21 O ATOM 80 CB THR A 5 1.839 -4.981 -22.880 1.00 50.14 C ATOM 81 OG1 THR A 5 0.728 -4.921 -23.770 1.00 53.42 O ATOM 82 CG2 THR A 5 1.694 -6.341 -22.195 1.00 64.44 C ATOM 0 H THR A 5 2.064 -2.599 -23.564 1.00 1.41 H new ATOM 0 HA THR A 5 0.688 -4.003 -21.368 1.00 51.43 H new ATOM 0 HB THR A 5 2.833 -4.899 -23.319 1.00 50.14 H new ATOM 0 HG1 THR A 5 0.152 -5.701 -23.628 1.00 53.42 H new ATOM 0 HG21 THR A 5 1.866 -7.135 -22.922 1.00 64.44 H new ATOM 0 HG22 THR A 5 2.424 -6.422 -21.389 1.00 64.44 H new ATOM 0 HG23 THR A 5 0.689 -6.437 -21.785 1.00 64.44 H new ATOM 90 N TYR A 6 2.505 -4.387 -19.755 1.00 74.21 N ATOM 91 CA TYR A 6 3.461 -4.355 -18.662 1.00 22.12 C ATOM 92 C TYR A 6 4.107 -5.727 -18.458 1.00 64.02 C ATOM 93 O TYR A 6 5.318 -5.877 -18.617 1.00 10.44 O ATOM 94 CB TYR A 6 2.659 -3.992 -17.411 1.00 5.55 C ATOM 95 CG TYR A 6 3.523 -3.600 -16.210 1.00 23.20 C ATOM 96 CD1 TYR A 6 4.224 -2.411 -16.222 1.00 55.00 C ATOM 97 CD2 TYR A 6 3.602 -4.436 -15.115 1.00 24.43 C ATOM 98 CE1 TYR A 6 5.037 -2.043 -15.092 1.00 54.41 C ATOM 99 CE2 TYR A 6 4.415 -4.068 -13.985 1.00 24.02 C ATOM 100 CZ TYR A 6 5.092 -2.889 -14.029 1.00 65.42 C ATOM 101 OH TYR A 6 5.860 -2.541 -12.962 1.00 63.50 O ATOM 0 H TYR A 6 1.696 -4.988 -19.596 1.00 74.21 H new ATOM 0 HA TYR A 6 4.258 -3.641 -18.870 1.00 22.12 H new ATOM 0 HB2 TYR A 6 1.989 -3.166 -17.649 1.00 5.55 H new ATOM 0 HB3 TYR A 6 2.033 -4.840 -17.134 1.00 5.55 H new ATOM 0 HD1 TYR A 6 4.163 -1.757 -17.079 1.00 55.00 H new ATOM 0 HD2 TYR A 6 3.054 -5.367 -15.106 1.00 24.43 H new ATOM 0 HE1 TYR A 6 5.591 -1.116 -15.089 1.00 54.41 H new ATOM 0 HE2 TYR A 6 4.486 -4.713 -13.122 1.00 24.02 H new ATOM 0 HH TYR A 6 5.803 -3.239 -12.277 1.00 63.50 H new ATOM 111 N ASN A 7 3.271 -6.694 -18.110 1.00 50.22 N ATOM 112 CA ASN A 7 3.746 -8.048 -17.883 1.00 74.33 C ATOM 113 C ASN A 7 2.802 -9.037 -18.572 1.00 43.40 C ATOM 114 O ASN A 7 1.997 -9.693 -17.914 1.00 15.31 O ATOM 115 CB ASN A 7 3.770 -8.380 -16.390 1.00 70.40 C ATOM 116 CG ASN A 7 5.148 -8.098 -15.788 1.00 12.21 C ATOM 117 OD1 ASN A 7 6.074 -7.679 -16.462 1.00 45.10 O ATOM 118 ND2 ASN A 7 5.231 -8.350 -14.485 1.00 14.44 N ATOM 0 H ASN A 7 2.267 -6.567 -17.980 1.00 50.22 H new ATOM 0 HA ASN A 7 4.756 -8.123 -18.286 1.00 74.33 H new ATOM 0 HB2 ASN A 7 3.015 -7.790 -15.870 1.00 70.40 H new ATOM 0 HB3 ASN A 7 3.513 -9.429 -16.243 1.00 70.40 H new ATOM 0 HD21 ASN A 7 6.109 -8.193 -13.990 1.00 14.44 H new ATOM 0 HD22 ASN A 7 4.417 -8.700 -13.980 1.00 14.44 H new ATOM 125 N GLY A 8 2.934 -9.112 -19.888 1.00 41.22 N ATOM 126 CA GLY A 8 2.104 -10.009 -20.673 1.00 75.04 C ATOM 127 C GLY A 8 0.717 -9.407 -20.909 1.00 34.21 C ATOM 128 O GLY A 8 0.310 -9.205 -22.052 1.00 35.51 O ATOM 0 H GLY A 8 3.603 -8.566 -20.430 1.00 41.22 H new ATOM 0 HA2 GLY A 8 2.585 -10.211 -21.630 1.00 75.04 H new ATOM 0 HA3 GLY A 8 2.007 -10.965 -20.158 1.00 75.04 H new ATOM 132 N ILE A 9 0.029 -9.137 -19.809 1.00 23.31 N ATOM 133 CA ILE A 9 -1.303 -8.563 -19.881 1.00 53.42 C ATOM 134 C ILE A 9 -1.228 -7.194 -20.560 1.00 45.25 C ATOM 135 O ILE A 9 -0.293 -6.430 -20.323 1.00 12.10 O ATOM 136 CB ILE A 9 -1.947 -8.526 -18.494 1.00 0.23 C ATOM 137 CG1 ILE A 9 -1.035 -7.826 -17.484 1.00 44.34 C ATOM 138 CG2 ILE A 9 -2.339 -9.931 -18.033 1.00 64.55 C ATOM 139 CD1 ILE A 9 -1.621 -6.479 -17.057 1.00 54.22 C ATOM 0 H ILE A 9 0.370 -9.306 -18.863 1.00 23.31 H new ATOM 0 HA ILE A 9 -1.954 -9.188 -20.493 1.00 53.42 H new ATOM 0 HB ILE A 9 -2.864 -7.941 -18.560 1.00 0.23 H new ATOM 0 HG12 ILE A 9 -0.900 -8.462 -16.609 1.00 44.34 H new ATOM 0 HG13 ILE A 9 -0.049 -7.675 -17.923 1.00 44.34 H new ATOM 0 HG21 ILE A 9 -2.794 -9.876 -17.044 1.00 64.55 H new ATOM 0 HG22 ILE A 9 -3.052 -10.359 -18.737 1.00 64.55 H new ATOM 0 HG23 ILE A 9 -1.450 -10.560 -17.988 1.00 64.55 H new ATOM 0 HD11 ILE A 9 -0.953 -6.003 -16.339 1.00 54.22 H new ATOM 0 HD12 ILE A 9 -1.732 -5.837 -17.931 1.00 54.22 H new ATOM 0 HD13 ILE A 9 -2.596 -6.636 -16.596 1.00 54.22 H new ATOM 151 N THR A 10 -2.223 -6.925 -21.392 1.00 74.52 N ATOM 152 CA THR A 10 -2.281 -5.662 -22.108 1.00 33.05 C ATOM 153 C THR A 10 -3.336 -4.745 -21.486 1.00 35.12 C ATOM 154 O THR A 10 -4.277 -5.217 -20.849 1.00 61.40 O ATOM 155 CB THR A 10 -2.535 -5.967 -23.585 1.00 54.42 C ATOM 156 OG1 THR A 10 -1.464 -6.833 -23.950 1.00 53.44 O ATOM 157 CG2 THR A 10 -2.343 -4.739 -24.478 1.00 2.13 C ATOM 0 H THR A 10 -2.996 -7.561 -21.587 1.00 74.52 H new ATOM 0 HA THR A 10 -1.339 -5.120 -22.031 1.00 33.05 H new ATOM 0 HB THR A 10 -3.548 -6.350 -23.707 1.00 54.42 H new ATOM 0 HG1 THR A 10 -1.552 -7.082 -24.894 1.00 53.44 H new ATOM 0 HG21 THR A 10 -2.535 -5.010 -25.516 1.00 2.13 H new ATOM 0 HG22 THR A 10 -3.037 -3.955 -24.173 1.00 2.13 H new ATOM 0 HG23 THR A 10 -1.320 -4.375 -24.382 1.00 2.13 H new ATOM 165 N TYR A 11 -3.145 -3.451 -21.692 1.00 40.55 N ATOM 166 CA TYR A 11 -4.069 -2.463 -21.160 1.00 65.12 C ATOM 167 C TYR A 11 -4.943 -1.876 -22.270 1.00 44.51 C ATOM 168 O TYR A 11 -4.432 -1.418 -23.291 1.00 65.21 O ATOM 169 CB TYR A 11 -3.201 -1.351 -20.568 1.00 12.33 C ATOM 170 CG TYR A 11 -2.644 -1.669 -19.179 1.00 13.13 C ATOM 171 CD1 TYR A 11 -2.797 -2.933 -18.647 1.00 60.41 C ATOM 172 CD2 TYR A 11 -1.989 -0.692 -18.457 1.00 54.43 C ATOM 173 CE1 TYR A 11 -2.273 -3.233 -17.340 1.00 1.13 C ATOM 174 CE2 TYR A 11 -1.465 -0.991 -17.150 1.00 33.11 C ATOM 175 CZ TYR A 11 -1.633 -2.247 -16.656 1.00 1.03 C ATOM 176 OH TYR A 11 -1.138 -2.530 -15.421 1.00 1.11 O ATOM 0 H TYR A 11 -2.364 -3.063 -22.220 1.00 40.55 H new ATOM 0 HA TYR A 11 -4.731 -2.915 -20.421 1.00 65.12 H new ATOM 0 HB2 TYR A 11 -2.370 -1.154 -21.245 1.00 12.33 H new ATOM 0 HB3 TYR A 11 -3.790 -0.436 -20.511 1.00 12.33 H new ATOM 0 HD1 TYR A 11 -3.310 -3.698 -19.211 1.00 60.41 H new ATOM 0 HD2 TYR A 11 -1.869 0.298 -18.873 1.00 54.43 H new ATOM 0 HE1 TYR A 11 -2.386 -4.218 -16.913 1.00 1.13 H new ATOM 0 HE2 TYR A 11 -0.950 -0.235 -16.575 1.00 33.11 H new ATOM 0 HH TYR A 11 -0.706 -1.732 -15.051 1.00 1.11 H new ATOM 186 N GLU A 12 -6.246 -1.907 -22.032 1.00 63.04 N ATOM 187 CA GLU A 12 -7.196 -1.383 -22.999 1.00 64.32 C ATOM 188 C GLU A 12 -7.925 -0.168 -22.422 1.00 64.13 C ATOM 189 O GLU A 12 -8.094 -0.060 -21.209 1.00 13.11 O ATOM 190 CB GLU A 12 -8.189 -2.463 -23.433 1.00 24.43 C ATOM 191 CG GLU A 12 -9.125 -2.840 -22.283 1.00 73.42 C ATOM 192 CD GLU A 12 -10.559 -3.027 -22.783 1.00 53.11 C ATOM 193 OE1 GLU A 12 -10.927 -2.476 -23.831 1.00 50.42 O ATOM 194 OE2 GLU A 12 -11.302 -3.777 -22.041 1.00 51.44 O ATOM 0 H GLU A 12 -6.666 -2.287 -21.184 1.00 63.04 H new ATOM 0 HA GLU A 12 -6.645 -1.065 -23.884 1.00 64.32 H new ATOM 0 HB2 GLU A 12 -8.774 -2.105 -24.280 1.00 24.43 H new ATOM 0 HB3 GLU A 12 -7.647 -3.346 -23.770 1.00 24.43 H new ATOM 0 HG2 GLU A 12 -8.777 -3.760 -21.813 1.00 73.42 H new ATOM 0 HG3 GLU A 12 -9.101 -2.062 -21.519 1.00 73.42 H new ATOM 202 N GLY A 13 -8.336 0.716 -23.319 1.00 72.13 N ATOM 203 CA GLY A 13 -9.043 1.919 -22.915 1.00 10.23 C ATOM 204 C GLY A 13 -8.308 3.174 -23.392 1.00 31.52 C ATOM 205 O GLY A 13 -8.291 3.471 -24.585 1.00 54.31 O ATOM 0 H GLY A 13 -8.193 0.623 -24.325 1.00 72.13 H new ATOM 0 HA2 GLY A 13 -10.053 1.907 -23.325 1.00 10.23 H new ATOM 0 HA3 GLY A 13 -9.140 1.941 -21.830 1.00 10.23 H new ATOM 209 N GLY A 14 -7.718 3.875 -22.435 1.00 14.00 N ATOM 210 CA GLY A 14 -6.984 5.090 -22.743 1.00 2.35 C ATOM 211 C GLY A 14 -7.797 6.332 -22.371 1.00 75.22 C ATOM 212 O GLY A 14 -8.987 6.412 -22.673 1.00 33.53 O ATOM 0 H GLY A 14 -7.733 3.625 -21.446 1.00 14.00 H new ATOM 0 HA2 GLY A 14 -6.038 5.095 -22.201 1.00 2.35 H new ATOM 0 HA3 GLY A 14 -6.743 5.114 -23.806 1.00 2.35 H new ATOM 216 N GLY A 15 -7.123 7.270 -21.722 1.00 73.40 N ATOM 217 CA GLY A 15 -7.769 8.503 -21.306 1.00 42.24 C ATOM 218 C GLY A 15 -7.461 8.816 -19.841 1.00 13.24 C ATOM 219 O GLY A 15 -6.494 9.514 -19.541 1.00 25.20 O ATOM 0 H GLY A 15 -6.136 7.201 -21.474 1.00 73.40 H new ATOM 0 HA2 GLY A 15 -7.431 9.326 -21.936 1.00 42.24 H new ATOM 0 HA3 GLY A 15 -8.847 8.418 -21.445 1.00 42.24 H new ATOM 223 N GLY A 16 -8.303 8.285 -18.966 1.00 61.11 N ATOM 224 CA GLY A 16 -8.133 8.499 -17.539 1.00 31.21 C ATOM 225 C GLY A 16 -8.371 7.204 -16.758 1.00 42.54 C ATOM 226 O GLY A 16 -8.324 6.115 -17.327 1.00 71.13 O ATOM 0 H GLY A 16 -9.105 7.707 -19.218 1.00 61.11 H new ATOM 0 HA2 GLY A 16 -7.127 8.868 -17.340 1.00 31.21 H new ATOM 0 HA3 GLY A 16 -8.827 9.267 -17.197 1.00 31.21 H new ATOM 230 N GLY A 17 -8.620 7.367 -15.467 1.00 74.14 N ATOM 231 CA GLY A 17 -8.865 6.225 -14.603 1.00 74.10 C ATOM 232 C GLY A 17 -8.131 6.379 -13.270 1.00 13.15 C ATOM 233 O GLY A 17 -7.034 6.932 -13.221 1.00 44.14 O ATOM 0 H GLY A 17 -8.657 8.272 -14.999 1.00 74.14 H new ATOM 0 HA2 GLY A 17 -9.935 6.123 -14.423 1.00 74.10 H new ATOM 0 HA3 GLY A 17 -8.537 5.312 -15.100 1.00 74.10 H new ATOM 237 N GLY A 18 -8.767 5.880 -12.219 1.00 42.25 N ATOM 238 CA GLY A 18 -8.188 5.955 -10.889 1.00 2.51 C ATOM 239 C GLY A 18 -8.668 4.795 -10.015 1.00 71.34 C ATOM 240 O GLY A 18 -9.574 4.057 -10.400 1.00 53.31 O ATOM 0 H GLY A 18 -9.678 5.422 -12.263 1.00 42.25 H new ATOM 0 HA2 GLY A 18 -7.101 5.935 -10.960 1.00 2.51 H new ATOM 0 HA3 GLY A 18 -8.460 6.902 -10.423 1.00 2.51 H new ATOM 244 N GLY A 19 -8.039 4.669 -8.856 1.00 71.22 N ATOM 245 CA GLY A 19 -8.391 3.610 -7.925 1.00 2.31 C ATOM 246 C GLY A 19 -8.437 4.136 -6.489 1.00 4.21 C ATOM 247 O GLY A 19 -9.510 4.430 -5.966 1.00 13.43 O ATOM 0 H GLY A 19 -7.288 5.282 -8.540 1.00 71.22 H new ATOM 0 HA2 GLY A 19 -9.361 3.192 -8.194 1.00 2.31 H new ATOM 0 HA3 GLY A 19 -7.664 2.801 -7.997 1.00 2.31 H new ATOM 251 N GLY A 20 -7.258 4.238 -5.892 1.00 51.41 N ATOM 252 CA GLY A 20 -7.150 4.724 -4.527 1.00 32.32 C ATOM 253 C GLY A 20 -7.919 6.034 -4.348 1.00 50.43 C ATOM 254 O GLY A 20 -8.537 6.529 -5.290 1.00 30.11 O ATOM 0 H GLY A 20 -6.370 3.992 -6.329 1.00 51.41 H new ATOM 0 HA2 GLY A 20 -7.538 3.974 -3.838 1.00 32.32 H new ATOM 0 HA3 GLY A 20 -6.101 4.877 -4.274 1.00 32.32 H new ATOM 258 N SER A 21 -7.856 6.560 -3.134 1.00 24.23 N ATOM 259 CA SER A 21 -8.538 7.804 -2.820 1.00 32.43 C ATOM 260 C SER A 21 -8.197 8.242 -1.394 1.00 42.43 C ATOM 261 O SER A 21 -7.915 7.409 -0.535 1.00 21.30 O ATOM 262 CB SER A 21 -10.052 7.657 -2.982 1.00 34.24 C ATOM 263 OG SER A 21 -10.687 7.287 -1.760 1.00 44.02 O ATOM 0 H SER A 21 -7.343 6.147 -2.355 1.00 24.23 H new ATOM 0 HA SER A 21 -8.197 8.568 -3.519 1.00 32.43 H new ATOM 0 HB2 SER A 21 -10.471 8.598 -3.338 1.00 34.24 H new ATOM 0 HB3 SER A 21 -10.264 6.906 -3.743 1.00 34.24 H new ATOM 0 HG SER A 21 -11.660 7.314 -1.876 1.00 44.02 H new ATOM 269 N ALA A 22 -8.234 9.550 -1.187 1.00 44.53 N ATOM 270 CA ALA A 22 -7.932 10.110 0.119 1.00 4.22 C ATOM 271 C ALA A 22 -8.853 9.479 1.165 1.00 54.51 C ATOM 272 O ALA A 22 -8.436 9.227 2.294 1.00 61.20 O ATOM 273 CB ALA A 22 -8.067 11.633 0.066 1.00 44.31 C ATOM 0 H ALA A 22 -8.469 10.238 -1.902 1.00 44.53 H new ATOM 0 HA ALA A 22 -6.905 9.884 0.405 1.00 4.22 H new ATOM 0 HB1 ALA A 22 -7.840 12.053 1.046 1.00 44.31 H new ATOM 0 HB2 ALA A 22 -7.371 12.035 -0.670 1.00 44.31 H new ATOM 0 HB3 ALA A 22 -9.086 11.898 -0.215 1.00 44.31 H new ATOM 279 N ALA A 23 -10.090 9.243 0.752 1.00 42.33 N ATOM 280 CA ALA A 23 -11.074 8.647 1.639 1.00 72.24 C ATOM 281 C ALA A 23 -10.879 7.129 1.663 1.00 55.51 C ATOM 282 O ALA A 23 -11.307 6.460 2.602 1.00 1.12 O ATOM 283 CB ALA A 23 -12.479 9.047 1.185 1.00 55.12 C ATOM 0 H ALA A 23 -10.433 9.454 -0.185 1.00 42.33 H new ATOM 0 HA ALA A 23 -10.944 9.013 2.658 1.00 72.24 H new ATOM 0 HB1 ALA A 23 -13.217 8.600 1.850 1.00 55.12 H new ATOM 0 HB2 ALA A 23 -12.575 10.132 1.213 1.00 55.12 H new ATOM 0 HB3 ALA A 23 -12.647 8.694 0.167 1.00 55.12 H new ATOM 289 N GLU A 24 -10.234 6.631 0.619 1.00 41.12 N ATOM 290 CA GLU A 24 -9.977 5.205 0.508 1.00 12.14 C ATOM 291 C GLU A 24 -8.888 4.784 1.497 1.00 62.23 C ATOM 292 O GLU A 24 -8.818 3.621 1.891 1.00 72.45 O ATOM 293 CB GLU A 24 -9.595 4.826 -0.924 1.00 2.14 C ATOM 294 CG GLU A 24 -10.841 4.620 -1.788 1.00 4.43 C ATOM 295 CD GLU A 24 -11.267 3.151 -1.793 1.00 54.15 C ATOM 296 OE1 GLU A 24 -10.409 2.256 -1.829 1.00 15.51 O ATOM 297 OE2 GLU A 24 -12.542 2.953 -1.758 1.00 44.43 O ATOM 0 H GLU A 24 -9.881 7.190 -0.158 1.00 41.12 H new ATOM 0 HA GLU A 24 -10.893 4.670 0.757 1.00 12.14 H new ATOM 0 HB2 GLU A 24 -8.973 5.609 -1.358 1.00 2.14 H new ATOM 0 HB3 GLU A 24 -8.999 3.913 -0.916 1.00 2.14 H new ATOM 0 HG2 GLU A 24 -11.656 5.238 -1.410 1.00 4.43 H new ATOM 0 HG3 GLU A 24 -10.639 4.947 -2.808 1.00 4.43 H new ATOM 305 N ALA A 25 -8.064 5.753 1.869 1.00 74.30 N ATOM 306 CA ALA A 25 -6.982 5.497 2.804 1.00 63.23 C ATOM 307 C ALA A 25 -7.557 5.335 4.212 1.00 12.31 C ATOM 308 O ALA A 25 -6.926 4.732 5.079 1.00 54.21 O ATOM 309 CB ALA A 25 -5.956 6.629 2.719 1.00 20.13 C ATOM 0 H ALA A 25 -8.124 6.716 1.540 1.00 74.30 H new ATOM 0 HA ALA A 25 -6.467 4.570 2.551 1.00 63.23 H new ATOM 0 HB1 ALA A 25 -5.144 6.437 3.420 1.00 20.13 H new ATOM 0 HB2 ALA A 25 -5.556 6.682 1.706 1.00 20.13 H new ATOM 0 HB3 ALA A 25 -6.436 7.575 2.970 1.00 20.13 H new ATOM 315 N TYR A 26 -8.749 5.885 4.397 1.00 64.34 N ATOM 316 CA TYR A 26 -9.416 5.809 5.685 1.00 53.11 C ATOM 317 C TYR A 26 -10.368 4.613 5.740 1.00 75.33 C ATOM 318 O TYR A 26 -10.312 3.812 6.672 1.00 60.03 O ATOM 319 CB TYR A 26 -10.229 7.099 5.815 1.00 21.21 C ATOM 320 CG TYR A 26 -11.737 6.874 5.936 1.00 14.24 C ATOM 321 CD1 TYR A 26 -12.251 6.220 7.037 1.00 33.15 C ATOM 322 CD2 TYR A 26 -12.584 7.326 4.945 1.00 74.03 C ATOM 323 CE1 TYR A 26 -13.671 6.009 7.152 1.00 71.53 C ATOM 324 CE2 TYR A 26 -14.004 7.115 5.059 1.00 72.42 C ATOM 325 CZ TYR A 26 -14.477 6.466 6.157 1.00 55.23 C ATOM 326 OH TYR A 26 -15.818 6.267 6.265 1.00 74.45 O ATOM 0 H TYR A 26 -9.269 6.385 3.676 1.00 64.34 H new ATOM 0 HA TYR A 26 -8.688 5.690 6.488 1.00 53.11 H new ATOM 0 HB2 TYR A 26 -9.882 7.648 6.691 1.00 21.21 H new ATOM 0 HB3 TYR A 26 -10.034 7.728 4.946 1.00 21.21 H new ATOM 0 HD1 TYR A 26 -11.588 5.866 7.813 1.00 33.15 H new ATOM 0 HD2 TYR A 26 -12.182 7.838 4.083 1.00 74.03 H new ATOM 0 HE1 TYR A 26 -14.086 5.499 8.009 1.00 71.53 H new ATOM 0 HE2 TYR A 26 -14.678 7.464 4.291 1.00 72.42 H new ATOM 0 HH TYR A 26 -16.269 6.647 5.482 1.00 74.45 H new ATOM 336 N ALA A 27 -11.221 4.529 4.729 1.00 31.01 N ATOM 337 CA ALA A 27 -12.184 3.444 4.650 1.00 33.24 C ATOM 338 C ALA A 27 -11.439 2.115 4.512 1.00 24.12 C ATOM 339 O ALA A 27 -12.026 1.048 4.685 1.00 13.45 O ATOM 340 CB ALA A 27 -13.145 3.697 3.487 1.00 40.01 C ATOM 0 H ALA A 27 -11.265 5.195 3.958 1.00 31.01 H new ATOM 0 HA ALA A 27 -12.781 3.394 5.561 1.00 33.24 H new ATOM 0 HB1 ALA A 27 -13.867 2.883 3.428 1.00 40.01 H new ATOM 0 HB2 ALA A 27 -13.671 4.638 3.648 1.00 40.01 H new ATOM 0 HB3 ALA A 27 -12.582 3.751 2.555 1.00 40.01 H new ATOM 346 N LYS A 28 -10.155 2.223 4.201 1.00 32.34 N ATOM 347 CA LYS A 28 -9.323 1.043 4.038 1.00 31.20 C ATOM 348 C LYS A 28 -8.752 0.634 5.397 1.00 13.35 C ATOM 349 O LYS A 28 -8.836 -0.530 5.785 1.00 22.03 O ATOM 350 CB LYS A 28 -8.255 1.284 2.970 1.00 44.51 C ATOM 351 CG LYS A 28 -7.267 0.117 2.908 1.00 13.21 C ATOM 352 CD LYS A 28 -6.721 -0.064 1.491 1.00 64.04 C ATOM 353 CE LYS A 28 -5.575 0.912 1.216 1.00 53.53 C ATOM 354 NZ LYS A 28 -4.809 0.490 0.022 1.00 22.54 N ATOM 0 H LYS A 28 -9.671 3.109 4.058 1.00 32.34 H new ATOM 0 HA LYS A 28 -9.919 0.205 3.677 1.00 31.20 H new ATOM 0 HB2 LYS A 28 -8.731 1.414 1.998 1.00 44.51 H new ATOM 0 HB3 LYS A 28 -7.719 2.208 3.189 1.00 44.51 H new ATOM 0 HG2 LYS A 28 -6.443 0.296 3.599 1.00 13.21 H new ATOM 0 HG3 LYS A 28 -7.760 -0.800 3.231 1.00 13.21 H new ATOM 0 HD2 LYS A 28 -6.371 -1.088 1.361 1.00 64.04 H new ATOM 0 HD3 LYS A 28 -7.520 0.094 0.767 1.00 64.04 H new ATOM 0 HE2 LYS A 28 -5.973 1.915 1.064 1.00 53.53 H new ATOM 0 HE3 LYS A 28 -4.914 0.959 2.081 1.00 53.53 H new ATOM 0 HZ1 LYS A 28 -4.035 1.163 -0.150 1.00 22.54 H new ATOM 0 HZ2 LYS A 28 -4.413 -0.459 0.181 1.00 22.54 H new ATOM 0 HZ3 LYS A 28 -5.439 0.468 -0.805 1.00 22.54 H new ATOM 367 N ARG A 29 -8.185 1.615 6.084 1.00 1.11 N ATOM 368 CA ARG A 29 -7.600 1.372 7.392 1.00 15.31 C ATOM 369 C ARG A 29 -8.682 0.945 8.386 1.00 74.31 C ATOM 370 O ARG A 29 -8.505 -0.023 9.124 1.00 62.33 O ATOM 371 CB ARG A 29 -6.897 2.623 7.922 1.00 41.42 C ATOM 372 CG ARG A 29 -6.790 2.588 9.448 1.00 71.23 C ATOM 373 CD ARG A 29 -6.005 1.360 9.914 1.00 50.11 C ATOM 374 NE ARG A 29 -6.374 1.023 11.307 1.00 63.41 N ATOM 375 CZ ARG A 29 -5.575 0.345 12.158 1.00 5.34 C ATOM 376 NH1 ARG A 29 -4.353 -0.073 11.765 1.00 22.31 N ATOM 377 NH2 ARG A 29 -6.006 0.098 13.381 1.00 3.33 N ATOM 0 H ARG A 29 -8.118 2.580 5.759 1.00 1.11 H new ATOM 0 HA ARG A 29 -6.865 0.574 7.283 1.00 15.31 H new ATOM 0 HB2 ARG A 29 -5.901 2.697 7.486 1.00 41.42 H new ATOM 0 HB3 ARG A 29 -7.447 3.512 7.613 1.00 41.42 H new ATOM 0 HG2 ARG A 29 -6.299 3.494 9.803 1.00 71.23 H new ATOM 0 HG3 ARG A 29 -7.788 2.574 9.886 1.00 71.23 H new ATOM 0 HD2 ARG A 29 -6.214 0.514 9.259 1.00 50.11 H new ATOM 0 HD3 ARG A 29 -4.935 1.556 9.850 1.00 50.11 H new ATOM 0 HE ARG A 29 -7.289 1.322 11.645 1.00 63.41 H new ATOM 0 HH11 ARG A 29 -4.027 0.123 10.819 1.00 22.31 H new ATOM 0 HH12 ARG A 29 -3.756 -0.585 12.415 1.00 22.31 H new ATOM 0 HH21 ARG A 29 -6.930 0.418 13.670 1.00 3.33 H new ATOM 0 HH22 ARG A 29 -5.415 -0.413 14.037 1.00 3.33 H new ATOM 390 N ILE A 30 -9.780 1.687 8.373 1.00 44.20 N ATOM 391 CA ILE A 30 -10.890 1.397 9.264 1.00 71.00 C ATOM 392 C ILE A 30 -11.019 -0.118 9.434 1.00 31.04 C ATOM 393 O ILE A 30 -11.149 -0.612 10.554 1.00 52.54 O ATOM 394 CB ILE A 30 -12.169 2.071 8.763 1.00 72.41 C ATOM 395 CG1 ILE A 30 -12.024 3.594 8.766 1.00 70.33 C ATOM 396 CG2 ILE A 30 -13.384 1.609 9.570 1.00 13.11 C ATOM 397 CD1 ILE A 30 -13.009 4.237 9.744 1.00 30.42 C ATOM 0 H ILE A 30 -9.924 2.489 7.759 1.00 44.20 H new ATOM 0 HA ILE A 30 -10.704 1.815 10.254 1.00 71.00 H new ATOM 0 HB ILE A 30 -12.334 1.766 7.730 1.00 72.41 H new ATOM 0 HG12 ILE A 30 -11.005 3.865 9.040 1.00 70.33 H new ATOM 0 HG13 ILE A 30 -12.198 3.981 7.762 1.00 70.33 H new ATOM 0 HG21 ILE A 30 -14.280 2.103 9.194 1.00 13.11 H new ATOM 0 HG22 ILE A 30 -13.497 0.529 9.472 1.00 13.11 H new ATOM 0 HG23 ILE A 30 -13.242 1.865 10.620 1.00 13.11 H new ATOM 0 HD11 ILE A 30 -12.885 5.320 9.726 1.00 30.42 H new ATOM 0 HD12 ILE A 30 -14.028 3.984 9.453 1.00 30.42 H new ATOM 0 HD13 ILE A 30 -12.817 3.866 10.751 1.00 30.42 H new ATOM 409 N ALA A 31 -10.979 -0.814 8.308 1.00 44.34 N ATOM 410 CA ALA A 31 -11.089 -2.262 8.318 1.00 34.51 C ATOM 411 C ALA A 31 -10.265 -2.824 9.478 1.00 30.22 C ATOM 412 O ALA A 31 -10.795 -3.527 10.337 1.00 24.34 O ATOM 413 CB ALA A 31 -10.645 -2.818 6.964 1.00 63.51 C ATOM 0 H ALA A 31 -10.872 -0.401 7.381 1.00 44.34 H new ATOM 0 HA ALA A 31 -12.124 -2.567 8.471 1.00 34.51 H new ATOM 0 HB1 ALA A 31 -10.728 -3.905 6.972 1.00 63.51 H new ATOM 0 HB2 ALA A 31 -11.281 -2.412 6.178 1.00 63.51 H new ATOM 0 HB3 ALA A 31 -9.609 -2.534 6.776 1.00 63.51 H new ATOM 419 N GLU A 32 -8.982 -2.493 9.465 1.00 33.05 N ATOM 420 CA GLU A 32 -8.080 -2.956 10.506 1.00 45.32 C ATOM 421 C GLU A 32 -8.725 -2.787 11.883 1.00 74.24 C ATOM 422 O GLU A 32 -8.861 -3.754 12.631 1.00 52.11 O ATOM 423 CB GLU A 32 -6.739 -2.221 10.435 1.00 33.04 C ATOM 424 CG GLU A 32 -6.215 -2.174 8.999 1.00 64.10 C ATOM 425 CD GLU A 32 -4.685 -2.139 8.975 1.00 71.41 C ATOM 426 OE1 GLU A 32 -4.036 -2.991 9.600 1.00 2.34 O ATOM 427 OE2 GLU A 32 -4.172 -1.186 8.274 1.00 54.42 O ATOM 0 H GLU A 32 -8.546 -1.910 8.751 1.00 33.05 H new ATOM 0 HA GLU A 32 -7.886 -4.017 10.346 1.00 45.32 H new ATOM 0 HB2 GLU A 32 -6.856 -1.207 10.817 1.00 33.04 H new ATOM 0 HB3 GLU A 32 -6.012 -2.721 11.075 1.00 33.04 H new ATOM 0 HG2 GLU A 32 -6.571 -3.045 8.449 1.00 64.10 H new ATOM 0 HG3 GLU A 32 -6.611 -1.294 8.492 1.00 64.10 H new ATOM 435 N ALA A 33 -9.106 -1.552 12.175 1.00 35.50 N ATOM 436 CA ALA A 33 -9.735 -1.245 13.449 1.00 62.04 C ATOM 437 C ALA A 33 -10.901 -2.207 13.683 1.00 60.44 C ATOM 438 O ALA A 33 -10.941 -2.905 14.695 1.00 14.20 O ATOM 439 CB ALA A 33 -10.177 0.220 13.460 1.00 64.23 C ATOM 0 H ALA A 33 -8.991 -0.753 11.552 1.00 35.50 H new ATOM 0 HA ALA A 33 -9.028 -1.379 14.268 1.00 62.04 H new ATOM 0 HB1 ALA A 33 -10.649 0.451 14.415 1.00 64.23 H new ATOM 0 HB2 ALA A 33 -9.308 0.863 13.320 1.00 64.23 H new ATOM 0 HB3 ALA A 33 -10.889 0.391 12.653 1.00 64.23 H new ATOM 445 N MET A 34 -11.821 -2.215 12.729 1.00 0.52 N ATOM 446 CA MET A 34 -12.985 -3.080 12.819 1.00 42.13 C ATOM 447 C MET A 34 -12.573 -4.553 12.837 1.00 64.23 C ATOM 448 O MET A 34 -13.387 -5.426 13.134 1.00 2.24 O ATOM 449 CB MET A 34 -13.906 -2.822 11.625 1.00 40.13 C ATOM 450 CG MET A 34 -14.510 -1.418 11.691 1.00 2.44 C ATOM 451 SD MET A 34 -15.875 -1.394 12.841 1.00 71.01 S ATOM 452 CE MET A 34 -17.192 -0.885 11.748 1.00 24.32 C ATOM 0 H MET A 34 -11.784 -1.636 11.890 1.00 0.52 H new ATOM 0 HA MET A 34 -13.509 -2.857 13.748 1.00 42.13 H new ATOM 0 HB2 MET A 34 -13.345 -2.937 10.697 1.00 40.13 H new ATOM 0 HB3 MET A 34 -14.704 -3.565 11.610 1.00 40.13 H new ATOM 0 HG2 MET A 34 -13.750 -0.701 12.001 1.00 2.44 H new ATOM 0 HG3 MET A 34 -14.852 -1.113 10.702 1.00 2.44 H new ATOM 0 HE1 MET A 34 -18.125 -0.819 12.308 1.00 24.32 H new ATOM 0 HE2 MET A 34 -16.955 0.090 11.322 1.00 24.32 H new ATOM 0 HE3 MET A 34 -17.302 -1.615 10.946 1.00 24.32 H new ATOM 462 N ALA A 35 -11.309 -4.785 12.514 1.00 5.14 N ATOM 463 CA ALA A 35 -10.778 -6.138 12.490 1.00 53.42 C ATOM 464 C ALA A 35 -10.239 -6.494 13.876 1.00 23.53 C ATOM 465 O ALA A 35 -9.305 -5.861 14.365 1.00 45.23 O ATOM 466 CB ALA A 35 -9.708 -6.247 11.402 1.00 52.12 C ATOM 0 H ALA A 35 -10.637 -4.059 12.267 1.00 5.14 H new ATOM 0 HA ALA A 35 -11.563 -6.854 12.248 1.00 53.42 H new ATOM 0 HB1 ALA A 35 -9.310 -7.261 11.384 1.00 52.12 H new ATOM 0 HB2 ALA A 35 -10.149 -6.013 10.433 1.00 52.12 H new ATOM 0 HB3 ALA A 35 -8.902 -5.544 11.613 1.00 52.12 H new ATOM 472 N LYS A 36 -10.850 -7.508 14.471 1.00 33.12 N ATOM 473 CA LYS A 36 -10.443 -7.957 15.792 1.00 50.02 C ATOM 474 C LYS A 36 -8.928 -8.171 15.808 1.00 11.44 C ATOM 475 O LYS A 36 -8.231 -7.630 16.665 1.00 3.40 O ATOM 476 CB LYS A 36 -11.243 -9.193 16.208 1.00 50.01 C ATOM 477 CG LYS A 36 -11.030 -10.342 15.220 1.00 11.02 C ATOM 478 CD LYS A 36 -12.209 -11.317 15.251 1.00 52.44 C ATOM 479 CE LYS A 36 -12.643 -11.696 13.833 1.00 15.04 C ATOM 480 NZ LYS A 36 -12.122 -13.033 13.472 1.00 43.11 N ATOM 0 H LYS A 36 -11.624 -8.032 14.063 1.00 33.12 H new ATOM 0 HA LYS A 36 -10.666 -7.195 16.539 1.00 50.02 H new ATOM 0 HB2 LYS A 36 -10.941 -9.507 17.207 1.00 50.01 H new ATOM 0 HB3 LYS A 36 -12.303 -8.944 16.259 1.00 50.01 H new ATOM 0 HG2 LYS A 36 -10.910 -9.943 14.213 1.00 11.02 H new ATOM 0 HG3 LYS A 36 -10.109 -10.871 15.465 1.00 11.02 H new ATOM 0 HD2 LYS A 36 -11.929 -12.215 15.802 1.00 52.44 H new ATOM 0 HD3 LYS A 36 -13.046 -10.865 15.783 1.00 52.44 H new ATOM 0 HE2 LYS A 36 -13.731 -11.693 13.766 1.00 15.04 H new ATOM 0 HE3 LYS A 36 -12.278 -10.953 13.124 1.00 15.04 H new ATOM 0 HZ1 LYS A 36 -12.425 -13.275 12.507 1.00 43.11 H new ATOM 0 HZ2 LYS A 36 -11.083 -13.024 13.516 1.00 43.11 H new ATOM 0 HZ3 LYS A 36 -12.491 -13.741 14.139 1.00 43.11 H new ATOM 493 N GLY A 37 -8.464 -8.961 14.851 1.00 5.55 N ATOM 494 CA GLY A 37 -7.044 -9.252 14.745 1.00 31.43 C ATOM 495 C GLY A 37 -6.523 -8.937 13.342 1.00 60.33 C ATOM 496 O GLY A 37 -6.757 -9.698 12.404 1.00 51.34 O ATOM 0 H GLY A 37 -9.046 -9.408 14.142 1.00 5.55 H new ATOM 0 HA2 GLY A 37 -6.493 -8.667 15.481 1.00 31.43 H new ATOM 0 HA3 GLY A 37 -6.866 -10.302 14.975 1.00 31.43 H new TER 500 GLY A 37