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 180:sc= 0 USER MOD Set 1.2: A 10 THR OG1 : rot 180:sc= 0 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 X(o=0,f=0.095) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.106 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 5.876 2.056 -22.776 1.00 53.23 N ATOM 2 CA ARG A 1 6.350 1.193 -21.708 1.00 62.43 C ATOM 3 C ARG A 1 5.206 0.856 -20.750 1.00 2.23 C ATOM 4 O ARG A 1 4.899 -0.315 -20.531 1.00 2.44 O ATOM 5 CB ARG A 1 7.484 1.858 -20.925 1.00 71.41 C ATOM 6 CG ARG A 1 8.780 1.054 -21.047 1.00 71.35 C ATOM 7 CD ARG A 1 9.813 1.519 -20.019 1.00 40.23 C ATOM 8 NE ARG A 1 11.103 0.833 -20.252 1.00 64.10 N ATOM 9 CZ ARG A 1 12.218 1.047 -19.520 1.00 55.34 C ATOM 10 NH1 ARG A 1 12.208 1.933 -18.501 1.00 61.33 N ATOM 11 NH2 ARG A 1 13.316 0.378 -19.816 1.00 43.34 N ATOM 0 H1 ARG A 1 6.663 2.277 -23.419 1.00 53.23 H new ATOM 0 H2 ARG A 1 5.122 1.572 -23.305 1.00 53.23 H new ATOM 0 H3 ARG A 1 5.503 2.938 -22.370 1.00 53.23 H new ATOM 0 HA ARG A 1 6.727 0.278 -22.164 1.00 62.43 H new ATOM 0 HB2 ARG A 1 7.643 2.870 -21.298 1.00 71.41 H new ATOM 0 HB3 ARG A 1 7.203 1.945 -19.875 1.00 71.41 H new ATOM 0 HG2 ARG A 1 8.570 -0.006 -20.903 1.00 71.35 H new ATOM 0 HG3 ARG A 1 9.187 1.164 -22.052 1.00 71.35 H new ATOM 0 HD2 ARG A 1 9.948 2.598 -20.089 1.00 40.23 H new ATOM 0 HD3 ARG A 1 9.456 1.307 -19.011 1.00 40.23 H new ATOM 0 HE ARG A 1 11.154 0.156 -21.013 1.00 64.10 H new ATOM 0 HH11 ARG A 1 11.355 2.446 -18.280 1.00 61.33 H new ATOM 0 HH12 ARG A 1 13.054 2.089 -17.953 1.00 61.33 H new ATOM 0 HH21 ARG A 1 13.314 -0.289 -20.588 1.00 43.34 H new ATOM 0 HH22 ARG A 1 14.166 0.528 -19.273 1.00 43.34 H new ATOM 24 N GLY A 2 4.606 1.904 -20.204 1.00 44.01 N ATOM 25 CA GLY A 2 3.503 1.734 -19.274 1.00 51.41 C ATOM 26 C GLY A 2 2.417 0.837 -19.870 1.00 33.40 C ATOM 27 O GLY A 2 2.436 -0.378 -19.678 1.00 61.22 O ATOM 0 H GLY A 2 4.863 2.874 -20.388 1.00 44.01 H new ATOM 0 HA2 GLY A 2 3.870 1.298 -18.345 1.00 51.41 H new ATOM 0 HA3 GLY A 2 3.080 2.707 -19.025 1.00 51.41 H new ATOM 31 N LYS A 3 1.495 1.469 -20.581 1.00 11.52 N ATOM 32 CA LYS A 3 0.403 0.743 -21.206 1.00 13.20 C ATOM 33 C LYS A 3 0.951 -0.521 -21.871 1.00 30.15 C ATOM 34 O LYS A 3 1.676 -0.442 -22.861 1.00 2.42 O ATOM 35 CB LYS A 3 -0.369 1.655 -22.162 1.00 13.12 C ATOM 36 CG LYS A 3 -1.482 2.404 -21.426 1.00 51.20 C ATOM 37 CD LYS A 3 -2.489 2.997 -22.413 1.00 54.33 C ATOM 38 CE LYS A 3 -2.035 4.375 -22.899 1.00 42.01 C ATOM 39 NZ LYS A 3 -2.953 4.886 -23.942 1.00 24.31 N ATOM 0 H LYS A 3 1.482 2.477 -20.738 1.00 11.52 H new ATOM 0 HA LYS A 3 -0.319 0.422 -20.456 1.00 13.20 H new ATOM 0 HB2 LYS A 3 0.315 2.370 -22.620 1.00 13.12 H new ATOM 0 HB3 LYS A 3 -0.797 1.062 -22.970 1.00 13.12 H new ATOM 0 HG2 LYS A 3 -1.993 1.725 -20.744 1.00 51.20 H new ATOM 0 HG3 LYS A 3 -1.050 3.200 -20.819 1.00 51.20 H new ATOM 0 HD2 LYS A 3 -2.606 2.327 -23.265 1.00 54.33 H new ATOM 0 HD3 LYS A 3 -3.466 3.079 -21.936 1.00 54.33 H new ATOM 0 HE2 LYS A 3 -2.005 5.071 -22.061 1.00 42.01 H new ATOM 0 HE3 LYS A 3 -1.022 4.311 -23.297 1.00 42.01 H new ATOM 0 HZ1 LYS A 3 -2.630 5.822 -24.260 1.00 24.31 H new ATOM 0 HZ2 LYS A 3 -2.962 4.230 -24.749 1.00 24.31 H new ATOM 0 HZ3 LYS A 3 -3.913 4.966 -23.551 1.00 24.31 H new ATOM 52 N TRP A 4 0.583 -1.658 -21.299 1.00 24.50 N ATOM 53 CA TRP A 4 1.029 -2.938 -21.824 1.00 24.04 C ATOM 54 C TRP A 4 0.020 -3.394 -22.879 1.00 31.21 C ATOM 55 O TRP A 4 -0.855 -4.211 -22.594 1.00 50.42 O ATOM 56 CB TRP A 4 1.218 -3.956 -20.698 1.00 25.35 C ATOM 57 CG TRP A 4 0.904 -5.398 -21.103 1.00 15.34 C ATOM 58 CD1 TRP A 4 0.324 -6.354 -20.365 1.00 34.23 C ATOM 59 CD2 TRP A 4 1.177 -6.011 -22.380 1.00 54.02 C ATOM 60 NE1 TRP A 4 0.203 -7.534 -21.070 1.00 65.31 N ATOM 61 CE2 TRP A 4 0.739 -7.319 -22.335 1.00 14.22 C ATOM 62 CE3 TRP A 4 1.774 -5.478 -23.536 1.00 71.11 C ATOM 63 CZ2 TRP A 4 0.851 -8.203 -23.414 1.00 64.03 C ATOM 64 CZ3 TRP A 4 1.879 -6.375 -24.606 1.00 44.33 C ATOM 65 CH2 TRP A 4 1.443 -7.694 -24.576 1.00 65.24 C ATOM 0 H TRP A 4 -0.019 -1.720 -20.478 1.00 24.50 H new ATOM 0 HA TRP A 4 2.007 -2.842 -22.296 1.00 24.04 H new ATOM 0 HB2 TRP A 4 2.248 -3.905 -20.345 1.00 25.35 H new ATOM 0 HB3 TRP A 4 0.579 -3.678 -19.860 1.00 25.35 H new ATOM 0 HD1 TRP A 4 -0.007 -6.218 -19.346 1.00 34.23 H new ATOM 0 HE1 TRP A 4 -0.205 -8.404 -20.727 1.00 65.31 H new ATOM 0 HE3 TRP A 4 2.124 -4.458 -23.594 1.00 71.11 H new ATOM 0 HZ2 TRP A 4 0.500 -9.223 -23.354 1.00 64.03 H new ATOM 0 HZ3 TRP A 4 2.331 -6.016 -25.519 1.00 44.33 H new ATOM 0 HH2 TRP A 4 1.560 -8.324 -25.445 1.00 65.24 H new ATOM 76 N THR A 5 0.175 -2.847 -24.075 1.00 71.05 N ATOM 77 CA THR A 5 -0.712 -3.187 -25.175 1.00 32.52 C ATOM 78 C THR A 5 -0.131 -4.343 -25.991 1.00 65.31 C ATOM 79 O THR A 5 1.070 -4.379 -26.255 1.00 43.01 O ATOM 80 CB THR A 5 -0.951 -1.921 -25.999 1.00 60.03 C ATOM 81 OG1 THR A 5 -1.491 -0.993 -25.062 1.00 70.31 O ATOM 82 CG2 THR A 5 -2.065 -2.097 -27.034 1.00 3.15 C ATOM 0 H THR A 5 0.902 -2.170 -24.307 1.00 71.05 H new ATOM 0 HA THR A 5 -1.676 -3.541 -24.810 1.00 32.52 H new ATOM 0 HB THR A 5 -0.028 -1.638 -26.504 1.00 60.03 H new ATOM 0 HG1 THR A 5 -1.674 -0.142 -25.513 1.00 70.31 H new ATOM 0 HG21 THR A 5 -2.194 -1.169 -27.591 1.00 3.15 H new ATOM 0 HG22 THR A 5 -1.799 -2.900 -27.722 1.00 3.15 H new ATOM 0 HG23 THR A 5 -2.997 -2.348 -26.527 1.00 3.15 H new ATOM 90 N TYR A 6 -1.009 -5.260 -26.368 1.00 73.32 N ATOM 91 CA TYR A 6 -0.598 -6.415 -27.149 1.00 51.42 C ATOM 92 C TYR A 6 -1.111 -6.315 -28.587 1.00 55.10 C ATOM 93 O TYR A 6 -0.323 -6.226 -29.527 1.00 22.22 O ATOM 94 CB TYR A 6 -1.238 -7.630 -26.475 1.00 11.42 C ATOM 95 CG TYR A 6 -1.741 -8.692 -27.454 1.00 42.14 C ATOM 96 CD1 TYR A 6 -0.916 -9.145 -28.464 1.00 31.32 C ATOM 97 CD2 TYR A 6 -3.019 -9.197 -27.329 1.00 11.05 C ATOM 98 CE1 TYR A 6 -1.389 -10.145 -29.386 1.00 33.12 C ATOM 99 CE2 TYR A 6 -3.492 -10.197 -28.250 1.00 53.25 C ATOM 100 CZ TYR A 6 -2.654 -10.622 -29.234 1.00 10.54 C ATOM 101 OH TYR A 6 -3.101 -11.566 -30.104 1.00 41.24 O ATOM 0 H TYR A 6 -2.004 -5.227 -26.147 1.00 73.32 H new ATOM 0 HA TYR A 6 0.489 -6.484 -27.189 1.00 51.42 H new ATOM 0 HB2 TYR A 6 -0.510 -8.085 -25.804 1.00 11.42 H new ATOM 0 HB3 TYR A 6 -2.072 -7.294 -25.860 1.00 11.42 H new ATOM 0 HD1 TYR A 6 0.084 -8.749 -28.563 1.00 31.32 H new ATOM 0 HD2 TYR A 6 -3.665 -8.842 -26.540 1.00 11.05 H new ATOM 0 HE1 TYR A 6 -0.754 -10.508 -30.180 1.00 33.12 H new ATOM 0 HE2 TYR A 6 -4.490 -10.601 -28.162 1.00 53.25 H new ATOM 0 HH TYR A 6 -4.021 -11.814 -29.874 1.00 41.24 H new ATOM 111 N ASN A 7 -2.430 -6.333 -28.713 1.00 52.22 N ATOM 112 CA ASN A 7 -3.058 -6.246 -30.021 1.00 12.44 C ATOM 113 C ASN A 7 -4.152 -5.177 -29.986 1.00 12.52 C ATOM 114 O ASN A 7 -5.336 -5.490 -30.105 1.00 64.23 O ATOM 115 CB ASN A 7 -3.708 -7.575 -30.409 1.00 54.12 C ATOM 116 CG ASN A 7 -3.879 -7.679 -31.926 1.00 73.00 C ATOM 117 OD1 ASN A 7 -4.831 -7.182 -32.505 1.00 51.21 O ATOM 118 ND2 ASN A 7 -2.907 -8.352 -32.535 1.00 41.40 N ATOM 0 H ASN A 7 -3.081 -6.407 -27.931 1.00 52.22 H new ATOM 0 HA ASN A 7 -2.287 -5.995 -30.750 1.00 12.44 H new ATOM 0 HB2 ASN A 7 -3.095 -8.402 -30.051 1.00 54.12 H new ATOM 0 HB3 ASN A 7 -4.679 -7.665 -29.923 1.00 54.12 H new ATOM 0 HD21 ASN A 7 -2.930 -8.478 -33.547 1.00 41.40 H new ATOM 0 HD22 ASN A 7 -2.138 -8.743 -31.990 1.00 41.40 H new ATOM 125 N GLY A 8 -3.718 -3.936 -29.822 1.00 4.24 N ATOM 126 CA GLY A 8 -4.645 -2.819 -29.770 1.00 12.44 C ATOM 127 C GLY A 8 -5.316 -2.726 -28.398 1.00 20.35 C ATOM 128 O GLY A 8 -5.295 -1.673 -27.762 1.00 72.31 O ATOM 0 H GLY A 8 -2.736 -3.680 -29.723 1.00 4.24 H new ATOM 0 HA2 GLY A 8 -4.114 -1.891 -29.983 1.00 12.44 H new ATOM 0 HA3 GLY A 8 -5.405 -2.936 -30.543 1.00 12.44 H new ATOM 132 N ILE A 9 -5.895 -3.843 -27.981 1.00 40.21 N ATOM 133 CA ILE A 9 -6.571 -3.901 -26.696 1.00 23.10 C ATOM 134 C ILE A 9 -5.560 -3.629 -25.580 1.00 42.43 C ATOM 135 O ILE A 9 -4.411 -4.060 -25.660 1.00 44.21 O ATOM 136 CB ILE A 9 -7.314 -5.229 -26.541 1.00 70.53 C ATOM 137 CG1 ILE A 9 -6.385 -6.413 -26.820 1.00 75.13 C ATOM 138 CG2 ILE A 9 -8.566 -5.263 -27.421 1.00 5.01 C ATOM 139 CD1 ILE A 9 -6.134 -7.225 -25.548 1.00 11.53 C ATOM 0 H ILE A 9 -5.910 -4.715 -28.510 1.00 40.21 H new ATOM 0 HA ILE A 9 -7.334 -3.125 -26.632 1.00 23.10 H new ATOM 0 HB ILE A 9 -7.645 -5.316 -25.506 1.00 70.53 H new ATOM 0 HG12 ILE A 9 -6.826 -7.054 -27.584 1.00 75.13 H new ATOM 0 HG13 ILE A 9 -5.437 -6.050 -27.217 1.00 75.13 H new ATOM 0 HG21 ILE A 9 -9.076 -6.218 -27.292 1.00 5.01 H new ATOM 0 HG22 ILE A 9 -9.235 -4.453 -27.133 1.00 5.01 H new ATOM 0 HG23 ILE A 9 -8.280 -5.143 -28.466 1.00 5.01 H new ATOM 0 HD11 ILE A 9 -5.471 -8.060 -25.774 1.00 11.53 H new ATOM 0 HD12 ILE A 9 -5.671 -6.588 -24.795 1.00 11.53 H new ATOM 0 HD13 ILE A 9 -7.081 -7.607 -25.167 1.00 11.53 H new ATOM 151 N THR A 10 -6.025 -2.914 -24.566 1.00 24.21 N ATOM 152 CA THR A 10 -5.175 -2.579 -23.435 1.00 74.14 C ATOM 153 C THR A 10 -5.541 -3.435 -22.221 1.00 72.24 C ATOM 154 O THR A 10 -6.686 -3.861 -22.080 1.00 74.31 O ATOM 155 CB THR A 10 -5.301 -1.076 -23.179 1.00 50.01 C ATOM 156 OG1 THR A 10 -5.207 -0.493 -24.476 1.00 63.51 O ATOM 157 CG2 THR A 10 -4.096 -0.508 -22.427 1.00 10.52 C ATOM 0 H THR A 10 -6.979 -2.557 -24.504 1.00 24.21 H new ATOM 0 HA THR A 10 -4.129 -2.801 -23.646 1.00 74.14 H new ATOM 0 HB THR A 10 -6.210 -0.880 -22.610 1.00 50.01 H new ATOM 0 HG1 THR A 10 -5.281 0.481 -24.403 1.00 63.51 H new ATOM 0 HG21 THR A 10 -4.236 0.562 -22.271 1.00 10.52 H new ATOM 0 HG22 THR A 10 -4.001 -1.006 -21.462 1.00 10.52 H new ATOM 0 HG23 THR A 10 -3.191 -0.674 -23.011 1.00 10.52 H new ATOM 165 N TYR A 11 -4.547 -3.662 -21.376 1.00 4.41 N ATOM 166 CA TYR A 11 -4.749 -4.459 -20.178 1.00 73.34 C ATOM 167 C TYR A 11 -4.853 -3.570 -18.938 1.00 0.41 C ATOM 168 O TYR A 11 -4.466 -3.977 -17.844 1.00 14.35 O ATOM 169 CB TYR A 11 -3.512 -5.350 -20.051 1.00 2.25 C ATOM 170 CG TYR A 11 -3.554 -6.603 -20.927 1.00 20.21 C ATOM 171 CD1 TYR A 11 -4.539 -6.744 -21.883 1.00 50.22 C ATOM 172 CD2 TYR A 11 -2.607 -7.593 -20.761 1.00 62.42 C ATOM 173 CE1 TYR A 11 -4.579 -7.923 -22.708 1.00 63.40 C ATOM 174 CE2 TYR A 11 -2.647 -8.773 -21.586 1.00 25.10 C ATOM 175 CZ TYR A 11 -3.631 -8.880 -22.519 1.00 5.13 C ATOM 176 OH TYR A 11 -3.668 -9.994 -23.298 1.00 30.03 O ATOM 0 H TYR A 11 -3.598 -3.308 -21.497 1.00 4.41 H new ATOM 0 HA TYR A 11 -5.672 -5.034 -20.251 1.00 73.34 H new ATOM 0 HB2 TYR A 11 -2.629 -4.767 -20.311 1.00 2.25 H new ATOM 0 HB3 TYR A 11 -3.399 -5.651 -19.009 1.00 2.25 H new ATOM 0 HD1 TYR A 11 -5.280 -5.969 -22.012 1.00 50.22 H new ATOM 0 HD2 TYR A 11 -1.836 -7.483 -20.013 1.00 62.42 H new ATOM 0 HE1 TYR A 11 -5.344 -8.045 -23.460 1.00 63.40 H new ATOM 0 HE2 TYR A 11 -1.912 -9.555 -21.466 1.00 25.10 H new ATOM 0 HH TYR A 11 -2.930 -10.590 -23.052 1.00 30.03 H new ATOM 186 N GLU A 12 -5.377 -2.371 -19.151 1.00 22.35 N ATOM 187 CA GLU A 12 -5.536 -1.421 -18.063 1.00 53.43 C ATOM 188 C GLU A 12 -6.064 -2.127 -16.813 1.00 63.51 C ATOM 189 O GLU A 12 -6.813 -3.098 -16.914 1.00 24.11 O ATOM 190 CB GLU A 12 -6.457 -0.270 -18.472 1.00 55.41 C ATOM 191 CG GLU A 12 -5.757 1.080 -18.302 1.00 14.13 C ATOM 192 CD GLU A 12 -5.425 1.701 -19.660 1.00 70.22 C ATOM 193 OE1 GLU A 12 -4.246 1.942 -19.960 1.00 72.40 O ATOM 194 OE2 GLU A 12 -6.443 1.932 -20.418 1.00 13.45 O ATOM 0 H GLU A 12 -5.696 -2.036 -20.060 1.00 22.35 H new ATOM 0 HA GLU A 12 -4.559 -0.998 -17.831 1.00 53.43 H new ATOM 0 HB2 GLU A 12 -6.764 -0.396 -19.510 1.00 55.41 H new ATOM 0 HB3 GLU A 12 -7.363 -0.292 -17.867 1.00 55.41 H new ATOM 0 HG2 GLU A 12 -6.397 1.757 -17.736 1.00 14.13 H new ATOM 0 HG3 GLU A 12 -4.842 0.949 -17.725 1.00 14.13 H new ATOM 202 N GLY A 13 -5.652 -1.613 -15.663 1.00 72.44 N ATOM 203 CA GLY A 13 -6.074 -2.183 -14.395 1.00 60.31 C ATOM 204 C GLY A 13 -4.995 -3.104 -13.822 1.00 4.45 C ATOM 205 O GLY A 13 -4.875 -4.257 -14.232 1.00 33.25 O ATOM 0 H GLY A 13 -5.030 -0.808 -15.583 1.00 72.44 H new ATOM 0 HA2 GLY A 13 -6.289 -1.383 -13.686 1.00 60.31 H new ATOM 0 HA3 GLY A 13 -6.999 -2.743 -14.534 1.00 60.31 H new ATOM 209 N GLY A 14 -4.236 -2.559 -12.882 1.00 3.10 N ATOM 210 CA GLY A 14 -3.170 -3.317 -12.248 1.00 13.41 C ATOM 211 C GLY A 14 -1.797 -2.773 -12.649 1.00 73.43 C ATOM 212 O GLY A 14 -1.682 -1.630 -13.087 1.00 51.31 O ATOM 0 H GLY A 14 -4.338 -1.602 -12.544 1.00 3.10 H new ATOM 0 HA2 GLY A 14 -3.281 -3.271 -11.165 1.00 13.41 H new ATOM 0 HA3 GLY A 14 -3.246 -4.367 -12.532 1.00 13.41 H new ATOM 216 N GLY A 15 -0.791 -3.619 -12.486 1.00 22.33 N ATOM 217 CA GLY A 15 0.570 -3.238 -12.825 1.00 74.45 C ATOM 218 C GLY A 15 1.517 -3.480 -11.648 1.00 51.14 C ATOM 219 O GLY A 15 2.008 -4.592 -11.460 1.00 52.11 O ATOM 0 H GLY A 15 -0.891 -4.567 -12.124 1.00 22.33 H new ATOM 0 HA2 GLY A 15 0.906 -3.809 -13.690 1.00 74.45 H new ATOM 0 HA3 GLY A 15 0.597 -2.186 -13.108 1.00 74.45 H new ATOM 223 N GLY A 16 1.745 -2.420 -10.887 1.00 21.11 N ATOM 224 CA GLY A 16 2.625 -2.503 -9.733 1.00 52.23 C ATOM 225 C GLY A 16 1.931 -3.203 -8.563 1.00 75.14 C ATOM 226 O GLY A 16 1.033 -4.019 -8.768 1.00 23.31 O ATOM 0 H GLY A 16 1.336 -1.499 -11.046 1.00 21.11 H new ATOM 0 HA2 GLY A 16 3.531 -3.046 -10.001 1.00 52.23 H new ATOM 0 HA3 GLY A 16 2.931 -1.501 -9.432 1.00 52.23 H new ATOM 230 N GLY A 17 2.372 -2.858 -7.363 1.00 20.43 N ATOM 231 CA GLY A 17 1.804 -3.444 -6.160 1.00 43.31 C ATOM 232 C GLY A 17 0.293 -3.636 -6.304 1.00 42.24 C ATOM 233 O GLY A 17 -0.451 -2.664 -6.421 1.00 14.32 O ATOM 0 H GLY A 17 3.116 -2.180 -7.197 1.00 20.43 H new ATOM 0 HA2 GLY A 17 2.279 -4.405 -5.960 1.00 43.31 H new ATOM 0 HA3 GLY A 17 2.013 -2.801 -5.305 1.00 43.31 H new ATOM 237 N GLY A 18 -0.115 -4.896 -6.292 1.00 63.31 N ATOM 238 CA GLY A 18 -1.523 -5.228 -6.420 1.00 75.32 C ATOM 239 C GLY A 18 -2.192 -5.321 -5.047 1.00 50.20 C ATOM 240 O GLY A 18 -1.516 -5.490 -4.034 1.00 21.14 O ATOM 0 H GLY A 18 0.506 -5.700 -6.196 1.00 63.31 H new ATOM 0 HA2 GLY A 18 -2.025 -4.471 -7.023 1.00 75.32 H new ATOM 0 HA3 GLY A 18 -1.630 -6.177 -6.946 1.00 75.32 H new ATOM 244 N GLY A 19 -3.512 -5.206 -5.058 1.00 41.30 N ATOM 245 CA GLY A 19 -4.279 -5.274 -3.826 1.00 74.21 C ATOM 246 C GLY A 19 -5.782 -5.260 -4.115 1.00 1.34 C ATOM 247 O GLY A 19 -6.471 -6.253 -3.888 1.00 22.14 O ATOM 0 H GLY A 19 -4.070 -5.066 -5.901 1.00 41.30 H new ATOM 0 HA2 GLY A 19 -4.018 -6.181 -3.281 1.00 74.21 H new ATOM 0 HA3 GLY A 19 -4.020 -4.431 -3.185 1.00 74.21 H new ATOM 251 N GLY A 20 -6.246 -4.122 -4.611 1.00 22.22 N ATOM 252 CA GLY A 20 -7.654 -3.965 -4.933 1.00 31.33 C ATOM 253 C GLY A 20 -8.300 -2.891 -4.056 1.00 55.52 C ATOM 254 O GLY A 20 -9.347 -3.123 -3.454 1.00 13.25 O ATOM 0 H GLY A 20 -5.672 -3.300 -4.798 1.00 22.22 H new ATOM 0 HA2 GLY A 20 -7.763 -3.696 -5.984 1.00 31.33 H new ATOM 0 HA3 GLY A 20 -8.171 -4.914 -4.792 1.00 31.33 H new ATOM 258 N SER A 21 -7.650 -1.737 -4.013 1.00 62.21 N ATOM 259 CA SER A 21 -8.148 -0.626 -3.220 1.00 70.04 C ATOM 260 C SER A 21 -9.434 -0.076 -3.841 1.00 2.32 C ATOM 261 O SER A 21 -9.434 1.011 -4.417 1.00 64.25 O ATOM 262 CB SER A 21 -7.099 0.481 -3.104 1.00 2.32 C ATOM 263 OG SER A 21 -6.082 0.360 -4.094 1.00 64.54 O ATOM 0 H SER A 21 -6.782 -1.547 -4.515 1.00 62.21 H new ATOM 0 HA SER A 21 -8.364 -0.991 -2.216 1.00 70.04 H new ATOM 0 HB2 SER A 21 -7.585 1.452 -3.200 1.00 2.32 H new ATOM 0 HB3 SER A 21 -6.646 0.448 -2.113 1.00 2.32 H new ATOM 0 HG SER A 21 -5.433 1.086 -3.987 1.00 64.54 H new ATOM 269 N ALA A 22 -10.499 -0.851 -3.701 1.00 71.04 N ATOM 270 CA ALA A 22 -11.789 -0.455 -4.241 1.00 2.11 C ATOM 271 C ALA A 22 -12.630 0.175 -3.129 1.00 74.40 C ATOM 272 O ALA A 22 -13.104 -0.523 -2.234 1.00 33.14 O ATOM 273 CB ALA A 22 -12.472 -1.669 -4.873 1.00 54.23 C ATOM 0 H ALA A 22 -10.495 -1.751 -3.221 1.00 71.04 H new ATOM 0 HA ALA A 22 -11.665 0.293 -5.024 1.00 2.11 H new ATOM 0 HB1 ALA A 22 -13.439 -1.372 -5.278 1.00 54.23 H new ATOM 0 HB2 ALA A 22 -11.847 -2.061 -5.676 1.00 54.23 H new ATOM 0 HB3 ALA A 22 -12.617 -2.440 -4.116 1.00 54.23 H new ATOM 279 N ALA A 23 -12.791 1.486 -3.222 1.00 45.55 N ATOM 280 CA ALA A 23 -13.567 2.218 -2.236 1.00 23.14 C ATOM 281 C ALA A 23 -12.752 2.348 -0.947 1.00 51.41 C ATOM 282 O ALA A 23 -13.316 2.500 0.135 1.00 11.14 O ATOM 283 CB ALA A 23 -14.904 1.510 -2.011 1.00 31.44 C ATOM 0 H ALA A 23 -12.397 2.061 -3.966 1.00 45.55 H new ATOM 0 HA ALA A 23 -13.787 3.225 -2.591 1.00 23.14 H new ATOM 0 HB1 ALA A 23 -15.486 2.059 -1.271 1.00 31.44 H new ATOM 0 HB2 ALA A 23 -15.456 1.469 -2.950 1.00 31.44 H new ATOM 0 HB3 ALA A 23 -14.723 0.497 -1.651 1.00 31.44 H new ATOM 289 N GLU A 24 -11.438 2.285 -1.106 1.00 73.44 N ATOM 290 CA GLU A 24 -10.540 2.394 0.031 1.00 74.32 C ATOM 291 C GLU A 24 -10.520 3.831 0.555 1.00 31.11 C ATOM 292 O GLU A 24 -10.262 4.061 1.735 1.00 4.34 O ATOM 293 CB GLU A 24 -9.131 1.924 -0.336 1.00 53.12 C ATOM 294 CG GLU A 24 -8.365 3.019 -1.080 1.00 5.51 C ATOM 295 CD GLU A 24 -6.884 2.656 -1.217 1.00 15.44 C ATOM 296 OE1 GLU A 24 -6.374 1.834 -0.442 1.00 61.30 O ATOM 297 OE2 GLU A 24 -6.260 3.262 -2.170 1.00 34.34 O ATOM 0 H GLU A 24 -10.974 2.160 -2.006 1.00 73.44 H new ATOM 0 HA GLU A 24 -10.909 1.744 0.824 1.00 74.32 H new ATOM 0 HB2 GLU A 24 -8.589 1.646 0.568 1.00 53.12 H new ATOM 0 HB3 GLU A 24 -9.192 1.031 -0.958 1.00 53.12 H new ATOM 0 HG2 GLU A 24 -8.800 3.165 -2.069 1.00 5.51 H new ATOM 0 HG3 GLU A 24 -8.464 3.964 -0.546 1.00 5.51 H new ATOM 305 N ALA A 25 -10.796 4.760 -0.348 1.00 12.31 N ATOM 306 CA ALA A 25 -10.813 6.169 0.009 1.00 61.21 C ATOM 307 C ALA A 25 -11.692 6.367 1.245 1.00 21.14 C ATOM 308 O ALA A 25 -11.296 7.047 2.191 1.00 64.23 O ATOM 309 CB ALA A 25 -11.294 6.993 -1.187 1.00 34.20 C ATOM 0 H ALA A 25 -11.010 4.565 -1.326 1.00 12.31 H new ATOM 0 HA ALA A 25 -9.810 6.514 0.260 1.00 61.21 H new ATOM 0 HB1 ALA A 25 -11.307 8.050 -0.919 1.00 34.20 H new ATOM 0 HB2 ALA A 25 -10.619 6.840 -2.029 1.00 34.20 H new ATOM 0 HB3 ALA A 25 -12.299 6.677 -1.466 1.00 34.20 H new ATOM 315 N TYR A 26 -12.869 5.761 1.198 1.00 31.34 N ATOM 316 CA TYR A 26 -13.808 5.862 2.303 1.00 24.11 C ATOM 317 C TYR A 26 -13.465 4.859 3.407 1.00 54.20 C ATOM 318 O TYR A 26 -13.478 5.202 4.588 1.00 14.41 O ATOM 319 CB TYR A 26 -15.180 5.515 1.723 1.00 13.12 C ATOM 320 CG TYR A 26 -15.570 4.044 1.884 1.00 51.42 C ATOM 321 CD1 TYR A 26 -15.793 3.523 3.142 1.00 22.21 C ATOM 322 CD2 TYR A 26 -15.699 3.239 0.770 1.00 10.24 C ATOM 323 CE1 TYR A 26 -16.160 2.139 3.293 1.00 23.42 C ATOM 324 CE2 TYR A 26 -16.066 1.855 0.921 1.00 21.15 C ATOM 325 CZ TYR A 26 -16.278 1.373 2.175 1.00 31.04 C ATOM 326 OH TYR A 26 -16.625 0.066 2.318 1.00 24.41 O ATOM 0 H TYR A 26 -13.194 5.198 0.412 1.00 31.34 H new ATOM 0 HA TYR A 26 -13.780 6.860 2.741 1.00 24.11 H new ATOM 0 HB2 TYR A 26 -15.935 6.135 2.206 1.00 13.12 H new ATOM 0 HB3 TYR A 26 -15.190 5.769 0.663 1.00 13.12 H new ATOM 0 HD1 TYR A 26 -15.692 4.153 4.013 1.00 22.21 H new ATOM 0 HD2 TYR A 26 -15.525 3.647 -0.215 1.00 10.24 H new ATOM 0 HE1 TYR A 26 -16.338 1.718 4.272 1.00 23.42 H new ATOM 0 HE2 TYR A 26 -16.171 1.214 0.058 1.00 21.15 H new ATOM 0 HH TYR A 26 -16.673 -0.358 1.436 1.00 24.41 H new ATOM 336 N ALA A 27 -13.167 3.640 2.983 1.00 32.10 N ATOM 337 CA ALA A 27 -12.822 2.585 3.921 1.00 51.01 C ATOM 338 C ALA A 27 -11.559 2.983 4.687 1.00 11.03 C ATOM 339 O ALA A 27 -11.237 2.385 5.713 1.00 44.13 O ATOM 340 CB ALA A 27 -12.654 1.265 3.166 1.00 51.14 C ATOM 0 H ALA A 27 -13.157 3.359 2.003 1.00 32.10 H new ATOM 0 HA ALA A 27 -13.620 2.444 4.650 1.00 51.01 H new ATOM 0 HB1 ALA A 27 -12.395 0.474 3.870 1.00 51.14 H new ATOM 0 HB2 ALA A 27 -13.587 1.012 2.663 1.00 51.14 H new ATOM 0 HB3 ALA A 27 -11.860 1.367 2.427 1.00 51.14 H new ATOM 346 N LYS A 28 -10.878 3.990 4.160 1.00 14.13 N ATOM 347 CA LYS A 28 -9.658 4.475 4.782 1.00 41.10 C ATOM 348 C LYS A 28 -9.985 5.038 6.167 1.00 42.25 C ATOM 349 O LYS A 28 -9.391 4.629 7.163 1.00 43.30 O ATOM 350 CB LYS A 28 -8.949 5.473 3.864 1.00 22.20 C ATOM 351 CG LYS A 28 -8.157 6.499 4.677 1.00 23.31 C ATOM 352 CD LYS A 28 -7.040 5.822 5.474 1.00 2.14 C ATOM 353 CE LYS A 28 -5.664 6.206 4.926 1.00 52.52 C ATOM 354 NZ LYS A 28 -4.611 5.934 5.929 1.00 33.15 N ATOM 0 H LYS A 28 -11.148 4.483 3.309 1.00 14.13 H new ATOM 0 HA LYS A 28 -8.954 3.656 4.929 1.00 41.10 H new ATOM 0 HB2 LYS A 28 -8.277 4.940 3.191 1.00 22.20 H new ATOM 0 HB3 LYS A 28 -9.683 5.985 3.242 1.00 22.20 H new ATOM 0 HG2 LYS A 28 -7.730 7.247 4.009 1.00 23.31 H new ATOM 0 HG3 LYS A 28 -8.827 7.025 5.357 1.00 23.31 H new ATOM 0 HD2 LYS A 28 -7.111 6.110 6.523 1.00 2.14 H new ATOM 0 HD3 LYS A 28 -7.163 4.740 5.432 1.00 2.14 H new ATOM 0 HE2 LYS A 28 -5.460 5.644 4.014 1.00 52.52 H new ATOM 0 HE3 LYS A 28 -5.655 7.263 4.658 1.00 52.52 H new ATOM 0 HZ1 LYS A 28 -3.684 6.201 5.540 1.00 33.15 H new ATOM 0 HZ2 LYS A 28 -4.798 6.489 6.788 1.00 33.15 H new ATOM 0 HZ3 LYS A 28 -4.609 4.921 6.165 1.00 33.15 H new ATOM 367 N ARG A 29 -10.929 5.968 6.184 1.00 23.33 N ATOM 368 CA ARG A 29 -11.342 6.591 7.430 1.00 2.11 C ATOM 369 C ARG A 29 -12.062 5.575 8.319 1.00 53.13 C ATOM 370 O ARG A 29 -11.824 5.520 9.524 1.00 2.21 O ATOM 371 CB ARG A 29 -12.270 7.779 7.170 1.00 3.51 C ATOM 372 CG ARG A 29 -11.821 8.566 5.936 1.00 34.54 C ATOM 373 CD ARG A 29 -12.902 8.550 4.854 1.00 55.03 C ATOM 374 NE ARG A 29 -12.731 9.710 3.951 1.00 60.14 N ATOM 375 CZ ARG A 29 -13.268 10.928 4.173 1.00 12.20 C ATOM 376 NH1 ARG A 29 -14.017 11.156 5.273 1.00 50.51 N ATOM 377 NH2 ARG A 29 -13.050 11.893 3.299 1.00 54.01 N ATOM 0 H ARG A 29 -11.419 6.305 5.355 1.00 23.33 H new ATOM 0 HA ARG A 29 -10.445 6.949 7.935 1.00 2.11 H new ATOM 0 HB2 ARG A 29 -13.291 7.424 7.028 1.00 3.51 H new ATOM 0 HB3 ARG A 29 -12.280 8.435 8.040 1.00 3.51 H new ATOM 0 HG2 ARG A 29 -11.598 9.595 6.218 1.00 34.54 H new ATOM 0 HG3 ARG A 29 -10.900 8.137 5.542 1.00 34.54 H new ATOM 0 HD2 ARG A 29 -12.844 7.623 4.284 1.00 55.03 H new ATOM 0 HD3 ARG A 29 -13.890 8.579 5.314 1.00 55.03 H new ATOM 0 HE ARG A 29 -12.172 9.581 3.108 1.00 60.14 H new ATOM 0 HH11 ARG A 29 -14.180 10.405 5.943 1.00 50.51 H new ATOM 0 HH12 ARG A 29 -14.419 12.079 5.434 1.00 50.51 H new ATOM 0 HH21 ARG A 29 -12.483 11.712 2.471 1.00 54.01 H new ATOM 0 HH22 ARG A 29 -13.449 12.819 3.452 1.00 54.01 H new ATOM 390 N ILE A 30 -12.929 4.796 7.689 1.00 72.10 N ATOM 391 CA ILE A 30 -13.686 3.785 8.407 1.00 30.25 C ATOM 392 C ILE A 30 -12.796 3.154 9.480 1.00 1.34 C ATOM 393 O ILE A 30 -13.157 3.129 10.656 1.00 54.22 O ATOM 394 CB ILE A 30 -14.286 2.770 7.432 1.00 44.33 C ATOM 395 CG1 ILE A 30 -15.248 3.451 6.456 1.00 31.40 C ATOM 396 CG2 ILE A 30 -14.952 1.615 8.182 1.00 3.23 C ATOM 397 CD1 ILE A 30 -16.564 3.813 7.147 1.00 0.42 C ATOM 0 H ILE A 30 -13.124 4.845 6.689 1.00 72.10 H new ATOM 0 HA ILE A 30 -14.534 4.238 8.920 1.00 30.25 H new ATOM 0 HB ILE A 30 -13.475 2.344 6.841 1.00 44.33 H new ATOM 0 HG12 ILE A 30 -14.785 4.352 6.052 1.00 31.40 H new ATOM 0 HG13 ILE A 30 -15.446 2.789 5.613 1.00 31.40 H new ATOM 0 HG21 ILE A 30 -15.370 0.909 7.465 1.00 3.23 H new ATOM 0 HG22 ILE A 30 -14.212 1.108 8.801 1.00 3.23 H new ATOM 0 HG23 ILE A 30 -15.749 2.004 8.815 1.00 3.23 H new ATOM 0 HD11 ILE A 30 -17.230 4.296 6.432 1.00 0.42 H new ATOM 0 HD12 ILE A 30 -17.036 2.907 7.528 1.00 0.42 H new ATOM 0 HD13 ILE A 30 -16.365 4.494 7.974 1.00 0.42 H new ATOM 409 N ALA A 31 -11.649 2.660 9.037 1.00 11.42 N ATOM 410 CA ALA A 31 -10.705 2.032 9.945 1.00 64.42 C ATOM 411 C ALA A 31 -10.537 2.908 11.187 1.00 1.44 C ATOM 412 O ALA A 31 -10.706 2.438 12.311 1.00 34.31 O ATOM 413 CB ALA A 31 -9.380 1.792 9.218 1.00 70.45 C ATOM 0 H ALA A 31 -11.352 2.682 8.061 1.00 11.42 H new ATOM 0 HA ALA A 31 -11.078 1.062 10.274 1.00 64.42 H new ATOM 0 HB1 ALA A 31 -8.671 1.321 9.899 1.00 70.45 H new ATOM 0 HB2 ALA A 31 -9.548 1.140 8.361 1.00 70.45 H new ATOM 0 HB3 ALA A 31 -8.975 2.744 8.875 1.00 70.45 H new ATOM 419 N GLU A 32 -10.206 4.168 10.943 1.00 30.14 N ATOM 420 CA GLU A 32 -10.014 5.115 12.029 1.00 64.23 C ATOM 421 C GLU A 32 -11.138 4.979 13.058 1.00 62.44 C ATOM 422 O GLU A 32 -10.878 4.786 14.244 1.00 21.43 O ATOM 423 CB GLU A 32 -9.927 6.547 11.498 1.00 41.02 C ATOM 424 CG GLU A 32 -8.781 6.691 10.494 1.00 2.44 C ATOM 425 CD GLU A 32 -7.949 7.942 10.788 1.00 30.54 C ATOM 426 OE1 GLU A 32 -7.123 7.933 11.713 1.00 43.01 O ATOM 427 OE2 GLU A 32 -8.185 8.947 10.016 1.00 45.34 O ATOM 0 H GLU A 32 -10.066 4.555 10.010 1.00 30.14 H new ATOM 0 HA GLU A 32 -9.069 4.887 12.521 1.00 64.23 H new ATOM 0 HB2 GLU A 32 -10.869 6.820 11.022 1.00 41.02 H new ATOM 0 HB3 GLU A 32 -9.777 7.238 12.328 1.00 41.02 H new ATOM 0 HG2 GLU A 32 -8.143 5.808 10.535 1.00 2.44 H new ATOM 0 HG3 GLU A 32 -9.184 6.747 9.483 1.00 2.44 H new ATOM 435 N ALA A 33 -12.363 5.084 12.565 1.00 13.43 N ATOM 436 CA ALA A 33 -13.528 4.975 13.427 1.00 10.42 C ATOM 437 C ALA A 33 -13.485 3.638 14.169 1.00 3.12 C ATOM 438 O ALA A 33 -13.602 3.599 15.393 1.00 50.10 O ATOM 439 CB ALA A 33 -14.799 5.137 12.591 1.00 50.40 C ATOM 0 H ALA A 33 -12.574 5.243 11.580 1.00 13.43 H new ATOM 0 HA ALA A 33 -13.527 5.768 14.175 1.00 10.42 H new ATOM 0 HB1 ALA A 33 -15.673 5.055 13.238 1.00 50.40 H new ATOM 0 HB2 ALA A 33 -14.795 6.114 12.108 1.00 50.40 H new ATOM 0 HB3 ALA A 33 -14.836 4.357 11.831 1.00 50.40 H new ATOM 445 N MET A 34 -13.316 2.575 13.397 1.00 21.32 N ATOM 446 CA MET A 34 -13.256 1.239 13.966 1.00 64.10 C ATOM 447 C MET A 34 -12.059 1.098 14.910 1.00 54.23 C ATOM 448 O MET A 34 -11.963 0.124 15.654 1.00 22.12 O ATOM 449 CB MET A 34 -13.142 0.209 12.840 1.00 3.22 C ATOM 450 CG MET A 34 -14.413 0.185 11.988 1.00 4.44 C ATOM 451 SD MET A 34 -15.706 -0.697 12.846 1.00 64.34 S ATOM 452 CE MET A 34 -15.338 -2.366 12.328 1.00 3.43 C ATOM 0 H MET A 34 -13.219 2.611 12.382 1.00 21.32 H new ATOM 0 HA MET A 34 -14.168 1.067 14.537 1.00 64.10 H new ATOM 0 HB2 MET A 34 -12.283 0.445 12.212 1.00 3.22 H new ATOM 0 HB3 MET A 34 -12.965 -0.780 13.263 1.00 3.22 H new ATOM 0 HG2 MET A 34 -14.737 1.204 11.774 1.00 4.44 H new ATOM 0 HG3 MET A 34 -14.209 -0.293 11.030 1.00 4.44 H new ATOM 0 HE1 MET A 34 -16.056 -3.053 12.776 1.00 3.43 H new ATOM 0 HE2 MET A 34 -15.402 -2.432 11.242 1.00 3.43 H new ATOM 0 HE3 MET A 34 -14.331 -2.633 12.649 1.00 3.43 H new ATOM 462 N ALA A 35 -11.178 2.086 14.848 1.00 72.43 N ATOM 463 CA ALA A 35 -9.992 2.084 15.687 1.00 13.24 C ATOM 464 C ALA A 35 -10.258 2.923 16.939 1.00 32.43 C ATOM 465 O ALA A 35 -10.911 3.963 16.867 1.00 25.11 O ATOM 466 CB ALA A 35 -8.797 2.600 14.884 1.00 62.54 C ATOM 0 H ALA A 35 -11.262 2.893 14.230 1.00 72.43 H new ATOM 0 HA ALA A 35 -9.754 1.071 16.012 1.00 13.24 H new ATOM 0 HB1 ALA A 35 -7.907 2.598 15.514 1.00 62.54 H new ATOM 0 HB2 ALA A 35 -8.632 1.954 14.021 1.00 62.54 H new ATOM 0 HB3 ALA A 35 -8.999 3.616 14.544 1.00 62.54 H new ATOM 472 N LYS A 36 -9.739 2.438 18.058 1.00 14.31 N ATOM 473 CA LYS A 36 -9.913 3.130 19.324 1.00 4.11 C ATOM 474 C LYS A 36 -9.764 4.637 19.102 1.00 72.53 C ATOM 475 O LYS A 36 -10.708 5.395 19.316 1.00 53.31 O ATOM 476 CB LYS A 36 -8.957 2.567 20.378 1.00 64.24 C ATOM 477 CG LYS A 36 -9.712 1.728 21.410 1.00 23.34 C ATOM 478 CD LYS A 36 -8.740 0.965 22.314 1.00 51.43 C ATOM 479 CE LYS A 36 -9.316 0.799 23.721 1.00 30.23 C ATOM 480 NZ LYS A 36 -8.909 -0.503 24.297 1.00 12.50 N ATOM 0 H LYS A 36 -9.198 1.575 18.114 1.00 14.31 H new ATOM 0 HA LYS A 36 -10.917 2.962 19.714 1.00 4.11 H new ATOM 0 HB2 LYS A 36 -8.195 1.956 19.894 1.00 64.24 H new ATOM 0 HB3 LYS A 36 -8.439 3.385 20.878 1.00 64.24 H new ATOM 0 HG2 LYS A 36 -10.346 2.375 22.016 1.00 23.34 H new ATOM 0 HG3 LYS A 36 -10.370 1.024 20.900 1.00 23.34 H new ATOM 0 HD2 LYS A 36 -8.531 -0.015 21.885 1.00 51.43 H new ATOM 0 HD3 LYS A 36 -7.791 1.499 22.366 1.00 51.43 H new ATOM 0 HE2 LYS A 36 -8.969 1.611 24.361 1.00 30.23 H new ATOM 0 HE3 LYS A 36 -10.403 0.864 23.685 1.00 30.23 H new ATOM 0 HZ1 LYS A 36 -9.308 -0.600 25.252 1.00 12.50 H new ATOM 0 HZ2 LYS A 36 -9.261 -1.274 23.695 1.00 12.50 H new ATOM 0 HZ3 LYS A 36 -7.871 -0.550 24.349 1.00 12.50 H new ATOM 493 N GLY A 37 -8.571 5.025 18.675 1.00 75.43 N ATOM 494 CA GLY A 37 -8.287 6.427 18.421 1.00 72.21 C ATOM 495 C GLY A 37 -9.052 6.928 17.194 1.00 30.01 C ATOM 496 O GLY A 37 -8.543 6.873 16.076 1.00 42.32 O ATOM 0 H GLY A 37 -7.790 4.393 18.499 1.00 75.43 H new ATOM 0 HA2 GLY A 37 -8.562 7.021 19.293 1.00 72.21 H new ATOM 0 HA3 GLY A 37 -7.217 6.563 18.267 1.00 72.21 H new TER 500 GLY A 37