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+ 145:sc= 0.0029 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -76:sc= 1.07 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.56 K(o=0.56,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -111:sc= 1.07 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 162:sc= -0.0542 (180deg=-0.278) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.858 4.072 -29.109 1.00 35.33 N ATOM 2 CA ARG A 1 1.698 4.931 -28.945 1.00 54.52 C ATOM 3 C ARG A 1 0.412 4.142 -29.199 1.00 52.24 C ATOM 4 O ARG A 1 0.299 3.440 -30.203 1.00 34.44 O ATOM 5 CB ARG A 1 1.755 6.122 -29.904 1.00 41.13 C ATOM 6 CG ARG A 1 2.601 7.256 -29.321 1.00 34.02 C ATOM 7 CD ARG A 1 3.205 8.117 -30.432 1.00 30.11 C ATOM 8 NE ARG A 1 3.107 9.549 -30.072 1.00 42.22 N ATOM 9 CZ ARG A 1 2.029 10.321 -30.324 1.00 73.04 C ATOM 10 NH1 ARG A 1 0.945 9.803 -30.941 1.00 51.50 N ATOM 11 NH2 ARG A 1 2.050 11.589 -29.959 1.00 53.32 N ATOM 0 H1 ARG A 1 3.641 4.621 -29.517 1.00 35.33 H new ATOM 0 H2 ARG A 1 3.145 3.695 -28.183 1.00 35.33 H new ATOM 0 H3 ARG A 1 2.619 3.284 -29.744 1.00 35.33 H new ATOM 0 HA ARG A 1 1.703 5.303 -27.920 1.00 54.52 H new ATOM 0 HB2 ARG A 1 2.174 5.805 -30.859 1.00 41.13 H new ATOM 0 HB3 ARG A 1 0.746 6.482 -30.103 1.00 41.13 H new ATOM 0 HG2 ARG A 1 1.985 7.876 -28.670 1.00 34.02 H new ATOM 0 HG3 ARG A 1 3.398 6.840 -28.705 1.00 34.02 H new ATOM 0 HD2 ARG A 1 4.248 7.844 -30.589 1.00 30.11 H new ATOM 0 HD3 ARG A 1 2.683 7.933 -31.371 1.00 30.11 H new ATOM 0 HE ARG A 1 3.904 9.980 -29.604 1.00 42.22 H new ATOM 0 HH11 ARG A 1 0.937 8.822 -31.220 1.00 51.50 H new ATOM 0 HH12 ARG A 1 0.134 10.393 -31.128 1.00 51.50 H new ATOM 0 HH21 ARG A 1 2.873 11.972 -29.494 1.00 53.32 H new ATOM 0 HH22 ARG A 1 1.243 12.186 -30.142 1.00 53.32 H new ATOM 24 N GLY A 2 -0.525 4.285 -28.273 1.00 61.43 N ATOM 25 CA GLY A 2 -1.798 3.594 -28.384 1.00 74.34 C ATOM 26 C GLY A 2 -1.867 2.411 -27.417 1.00 24.44 C ATOM 27 O GLY A 2 -0.955 2.204 -26.618 1.00 5.35 O ATOM 0 H GLY A 2 -0.428 4.869 -27.443 1.00 61.43 H new ATOM 0 HA2 GLY A 2 -2.612 4.288 -28.174 1.00 74.34 H new ATOM 0 HA3 GLY A 2 -1.936 3.241 -29.406 1.00 74.34 H new ATOM 31 N LYS A 3 -2.957 1.665 -27.520 1.00 65.53 N ATOM 32 CA LYS A 3 -3.156 0.507 -26.664 1.00 43.52 C ATOM 33 C LYS A 3 -1.929 -0.403 -26.751 1.00 10.23 C ATOM 34 O LYS A 3 -1.624 -0.940 -27.814 1.00 73.42 O ATOM 35 CB LYS A 3 -4.469 -0.196 -27.011 1.00 73.13 C ATOM 36 CG LYS A 3 -5.618 0.329 -26.147 1.00 43.44 C ATOM 37 CD LYS A 3 -6.837 0.672 -27.006 1.00 1.42 C ATOM 38 CE LYS A 3 -6.699 2.066 -27.623 1.00 24.34 C ATOM 39 NZ LYS A 3 -7.654 3.007 -26.996 1.00 63.11 N ATOM 0 H LYS A 3 -3.712 1.840 -28.183 1.00 65.53 H new ATOM 0 HA LYS A 3 -3.252 0.815 -25.623 1.00 43.52 H new ATOM 0 HB2 LYS A 3 -4.701 -0.041 -28.065 1.00 73.13 H new ATOM 0 HB3 LYS A 3 -4.360 -1.271 -26.864 1.00 73.13 H new ATOM 0 HG2 LYS A 3 -5.891 -0.421 -25.404 1.00 43.44 H new ATOM 0 HG3 LYS A 3 -5.292 1.215 -25.601 1.00 43.44 H new ATOM 0 HD2 LYS A 3 -6.950 -0.070 -27.797 1.00 1.42 H new ATOM 0 HD3 LYS A 3 -7.740 0.628 -26.397 1.00 1.42 H new ATOM 0 HE2 LYS A 3 -5.680 2.430 -27.490 1.00 24.34 H new ATOM 0 HE3 LYS A 3 -6.881 2.015 -28.696 1.00 24.34 H new ATOM 0 HZ1 LYS A 3 -7.547 3.948 -27.426 1.00 63.11 H new ATOM 0 HZ2 LYS A 3 -8.625 2.666 -27.145 1.00 63.11 H new ATOM 0 HZ3 LYS A 3 -7.461 3.069 -25.976 1.00 63.11 H new ATOM 52 N TRP A 4 -1.258 -0.548 -25.617 1.00 52.54 N ATOM 53 CA TRP A 4 -0.071 -1.383 -25.552 1.00 35.43 C ATOM 54 C TRP A 4 -0.488 -2.821 -25.868 1.00 22.31 C ATOM 55 O TRP A 4 -0.715 -3.620 -24.960 1.00 44.31 O ATOM 56 CB TRP A 4 0.621 -1.246 -24.194 1.00 62.44 C ATOM 57 CG TRP A 4 2.133 -1.030 -24.286 1.00 70.12 C ATOM 58 CD1 TRP A 4 2.922 -0.351 -23.442 1.00 60.05 C ATOM 59 CD2 TRP A 4 3.011 -1.526 -25.318 1.00 64.14 C ATOM 60 NE1 TRP A 4 4.239 -0.373 -23.854 1.00 3.35 N ATOM 61 CE2 TRP A 4 4.295 -1.110 -25.030 1.00 63.25 C ATOM 62 CE3 TRP A 4 2.730 -2.301 -26.458 1.00 3.34 C ATOM 63 CZ2 TRP A 4 5.400 -1.420 -25.834 1.00 14.45 C ATOM 64 CZ3 TRP A 4 3.845 -2.601 -27.250 1.00 32.41 C ATOM 65 CH2 TRP A 4 5.143 -2.190 -26.974 1.00 25.21 C ATOM 0 H TRP A 4 -1.514 -0.101 -24.737 1.00 52.54 H new ATOM 0 HA TRP A 4 0.667 -1.064 -26.288 1.00 35.43 H new ATOM 0 HB2 TRP A 4 0.177 -0.410 -23.654 1.00 62.44 H new ATOM 0 HB3 TRP A 4 0.427 -2.144 -23.607 1.00 62.44 H new ATOM 0 HD1 TRP A 4 2.572 0.150 -22.552 1.00 60.05 H new ATOM 0 HE1 TRP A 4 5.027 0.071 -23.382 1.00 3.35 H new ATOM 0 HE3 TRP A 4 1.733 -2.638 -26.703 1.00 3.34 H new ATOM 0 HZ2 TRP A 4 6.396 -1.083 -25.587 1.00 14.45 H new ATOM 0 HZ3 TRP A 4 3.685 -3.194 -28.138 1.00 32.41 H new ATOM 0 HH2 TRP A 4 5.951 -2.464 -27.637 1.00 25.21 H new ATOM 76 N THR A 5 -0.576 -3.108 -27.159 1.00 2.35 N ATOM 77 CA THR A 5 -0.961 -4.435 -27.606 1.00 20.51 C ATOM 78 C THR A 5 0.189 -5.095 -28.370 1.00 54.02 C ATOM 79 O THR A 5 0.688 -4.540 -29.348 1.00 1.13 O ATOM 80 CB THR A 5 -2.242 -4.303 -28.431 1.00 74.12 C ATOM 81 OG1 THR A 5 -2.098 -3.053 -29.099 1.00 3.52 O ATOM 82 CG2 THR A 5 -3.485 -4.118 -27.558 1.00 1.52 C ATOM 0 H THR A 5 -0.387 -2.443 -27.909 1.00 2.35 H new ATOM 0 HA THR A 5 -1.168 -5.092 -26.761 1.00 20.51 H new ATOM 0 HB THR A 5 -2.365 -5.189 -29.054 1.00 74.12 H new ATOM 0 HG1 THR A 5 -2.270 -2.323 -28.468 1.00 3.52 H new ATOM 0 HG21 THR A 5 -4.366 -4.029 -28.194 1.00 1.52 H new ATOM 0 HG22 THR A 5 -3.598 -4.979 -26.899 1.00 1.52 H new ATOM 0 HG23 THR A 5 -3.378 -3.214 -26.959 1.00 1.52 H new ATOM 90 N TYR A 6 0.575 -6.270 -27.896 1.00 30.13 N ATOM 91 CA TYR A 6 1.656 -7.011 -28.522 1.00 65.22 C ATOM 92 C TYR A 6 1.199 -8.415 -28.923 1.00 72.04 C ATOM 93 O TYR A 6 1.239 -8.772 -30.100 1.00 33.32 O ATOM 94 CB TYR A 6 2.755 -7.129 -27.464 1.00 42.01 C ATOM 95 CG TYR A 6 3.715 -8.299 -27.691 1.00 12.20 C ATOM 96 CD1 TYR A 6 4.381 -8.421 -28.893 1.00 64.43 C ATOM 97 CD2 TYR A 6 3.914 -9.232 -26.693 1.00 52.55 C ATOM 98 CE1 TYR A 6 5.285 -9.522 -29.107 1.00 35.41 C ATOM 99 CE2 TYR A 6 4.817 -10.333 -26.907 1.00 50.40 C ATOM 100 CZ TYR A 6 5.458 -10.424 -28.103 1.00 52.32 C ATOM 101 OH TYR A 6 6.311 -11.464 -28.305 1.00 12.51 O ATOM 0 H TYR A 6 0.158 -6.727 -27.085 1.00 30.13 H new ATOM 0 HA TYR A 6 1.996 -6.503 -29.424 1.00 65.22 H new ATOM 0 HB2 TYR A 6 3.327 -6.202 -27.444 1.00 42.01 H new ATOM 0 HB3 TYR A 6 2.291 -7.238 -26.484 1.00 42.01 H new ATOM 0 HD1 TYR A 6 4.225 -7.691 -29.674 1.00 64.43 H new ATOM 0 HD2 TYR A 6 3.393 -9.136 -25.752 1.00 52.55 H new ATOM 0 HE1 TYR A 6 5.813 -9.629 -30.043 1.00 35.41 H new ATOM 0 HE2 TYR A 6 4.982 -11.070 -26.135 1.00 50.40 H new ATOM 0 HH TYR A 6 6.336 -12.027 -27.503 1.00 12.51 H new ATOM 111 N ASN A 7 0.774 -9.173 -27.923 1.00 5.10 N ATOM 112 CA ASN A 7 0.310 -10.530 -28.157 1.00 13.42 C ATOM 113 C ASN A 7 -1.184 -10.502 -28.489 1.00 24.53 C ATOM 114 O ASN A 7 -1.608 -11.057 -29.501 1.00 52.12 O ATOM 115 CB ASN A 7 0.502 -11.400 -26.913 1.00 12.40 C ATOM 116 CG ASN A 7 1.190 -12.719 -27.268 1.00 32.32 C ATOM 117 OD1 ASN A 7 0.559 -13.707 -27.607 1.00 53.33 O ATOM 118 ND2 ASN A 7 2.516 -12.681 -27.171 1.00 34.34 N ATOM 0 H ASN A 7 0.741 -8.873 -26.949 1.00 5.10 H new ATOM 0 HA ASN A 7 0.888 -10.948 -28.981 1.00 13.42 H new ATOM 0 HB2 ASN A 7 1.098 -10.861 -26.177 1.00 12.40 H new ATOM 0 HB3 ASN A 7 -0.465 -11.602 -26.453 1.00 12.40 H new ATOM 0 HD21 ASN A 7 3.067 -13.512 -27.386 1.00 34.34 H new ATOM 0 HD22 ASN A 7 2.982 -11.821 -26.881 1.00 34.34 H new ATOM 125 N GLY A 8 -1.939 -9.852 -27.616 1.00 53.35 N ATOM 126 CA GLY A 8 -3.376 -9.745 -27.804 1.00 52.03 C ATOM 127 C GLY A 8 -4.016 -8.920 -26.686 1.00 4.23 C ATOM 128 O GLY A 8 -4.956 -8.164 -26.927 1.00 23.03 O ATOM 0 H GLY A 8 -1.583 -9.394 -26.777 1.00 53.35 H new ATOM 0 HA2 GLY A 8 -3.587 -9.282 -28.768 1.00 52.03 H new ATOM 0 HA3 GLY A 8 -3.819 -10.741 -27.825 1.00 52.03 H new ATOM 132 N ILE A 9 -3.480 -9.092 -25.486 1.00 70.53 N ATOM 133 CA ILE A 9 -3.987 -8.373 -24.330 1.00 24.12 C ATOM 134 C ILE A 9 -3.185 -7.083 -24.146 1.00 0.01 C ATOM 135 O ILE A 9 -1.977 -7.060 -24.378 1.00 53.10 O ATOM 136 CB ILE A 9 -3.989 -9.277 -23.095 1.00 61.14 C ATOM 137 CG1 ILE A 9 -2.561 -9.598 -22.648 1.00 13.41 C ATOM 138 CG2 ILE A 9 -4.809 -10.544 -23.345 1.00 75.11 C ATOM 139 CD1 ILE A 9 -2.331 -9.167 -21.198 1.00 14.31 C ATOM 0 H ILE A 9 -2.700 -9.719 -25.290 1.00 70.53 H new ATOM 0 HA ILE A 9 -5.026 -8.084 -24.487 1.00 24.12 H new ATOM 0 HB ILE A 9 -4.469 -8.738 -22.278 1.00 61.14 H new ATOM 0 HG12 ILE A 9 -2.377 -10.668 -22.747 1.00 13.41 H new ATOM 0 HG13 ILE A 9 -1.849 -9.091 -23.299 1.00 13.41 H new ATOM 0 HG21 ILE A 9 -4.794 -11.169 -22.452 1.00 75.11 H new ATOM 0 HG22 ILE A 9 -5.838 -10.271 -23.580 1.00 75.11 H new ATOM 0 HG23 ILE A 9 -4.380 -11.096 -24.181 1.00 75.11 H new ATOM 0 HD11 ILE A 9 -1.309 -9.406 -20.905 1.00 14.31 H new ATOM 0 HD12 ILE A 9 -2.492 -8.093 -21.108 1.00 14.31 H new ATOM 0 HD13 ILE A 9 -3.028 -9.694 -20.547 1.00 14.31 H new ATOM 151 N THR A 10 -3.889 -6.041 -23.730 1.00 54.45 N ATOM 152 CA THR A 10 -3.258 -4.750 -23.513 1.00 15.13 C ATOM 153 C THR A 10 -2.366 -4.795 -22.271 1.00 35.25 C ATOM 154 O THR A 10 -2.715 -5.427 -21.274 1.00 62.24 O ATOM 155 CB THR A 10 -4.361 -3.692 -23.431 1.00 32.54 C ATOM 156 OG1 THR A 10 -5.428 -4.355 -22.758 1.00 33.22 O ATOM 157 CG2 THR A 10 -4.944 -3.346 -24.802 1.00 63.35 C ATOM 0 H THR A 10 -4.890 -6.064 -23.537 1.00 54.45 H new ATOM 0 HA THR A 10 -2.598 -4.488 -24.340 1.00 15.13 H new ATOM 0 HB THR A 10 -3.964 -2.789 -22.967 1.00 32.54 H new ATOM 0 HG1 THR A 10 -6.185 -3.741 -22.660 1.00 33.22 H new ATOM 0 HG21 THR A 10 -5.722 -2.591 -24.687 1.00 63.35 H new ATOM 0 HG22 THR A 10 -4.155 -2.958 -25.446 1.00 63.35 H new ATOM 0 HG23 THR A 10 -5.372 -4.242 -25.252 1.00 63.35 H new ATOM 165 N TYR A 11 -1.233 -4.117 -22.370 1.00 41.43 N ATOM 166 CA TYR A 11 -0.288 -4.071 -21.267 1.00 72.32 C ATOM 167 C TYR A 11 -0.270 -2.686 -20.617 1.00 72.41 C ATOM 168 O TYR A 11 0.545 -2.421 -19.735 1.00 63.22 O ATOM 169 CB TYR A 11 1.086 -4.353 -21.877 1.00 63.04 C ATOM 170 CG TYR A 11 1.344 -5.831 -22.175 1.00 32.51 C ATOM 171 CD1 TYR A 11 0.324 -6.751 -22.037 1.00 73.04 C ATOM 172 CD2 TYR A 11 2.596 -6.246 -22.581 1.00 0.22 C ATOM 173 CE1 TYR A 11 0.566 -8.143 -22.318 1.00 0.55 C ATOM 174 CE2 TYR A 11 2.838 -7.637 -22.861 1.00 24.31 C ATOM 175 CZ TYR A 11 1.811 -8.517 -22.715 1.00 64.05 C ATOM 176 OH TYR A 11 2.040 -9.831 -22.980 1.00 23.30 O ATOM 0 H TYR A 11 -0.947 -3.594 -23.198 1.00 41.43 H new ATOM 0 HA TYR A 11 -0.560 -4.794 -20.498 1.00 72.32 H new ATOM 0 HB2 TYR A 11 1.185 -3.784 -22.801 1.00 63.04 H new ATOM 0 HB3 TYR A 11 1.856 -3.991 -21.196 1.00 63.04 H new ATOM 0 HD1 TYR A 11 -0.656 -6.427 -21.718 1.00 73.04 H new ATOM 0 HD2 TYR A 11 3.394 -5.527 -22.689 1.00 0.22 H new ATOM 0 HE1 TYR A 11 -0.224 -8.873 -22.216 1.00 0.55 H new ATOM 0 HE2 TYR A 11 3.813 -7.974 -23.180 1.00 24.31 H new ATOM 0 HH TYR A 11 2.973 -9.952 -23.254 1.00 23.30 H new ATOM 186 N GLU A 12 -1.179 -1.840 -21.078 1.00 13.23 N ATOM 187 CA GLU A 12 -1.278 -0.489 -20.552 1.00 52.21 C ATOM 188 C GLU A 12 -1.013 -0.485 -19.045 1.00 53.22 C ATOM 189 O GLU A 12 -1.283 -1.471 -18.361 1.00 64.24 O ATOM 190 CB GLU A 12 -2.643 0.125 -20.870 1.00 60.15 C ATOM 191 CG GLU A 12 -2.548 1.087 -22.056 1.00 53.41 C ATOM 192 CD GLU A 12 -3.446 2.308 -21.844 1.00 42.32 C ATOM 193 OE1 GLU A 12 -3.343 2.981 -20.808 1.00 21.04 O ATOM 194 OE2 GLU A 12 -4.273 2.550 -22.804 1.00 41.22 O ATOM 0 H GLU A 12 -1.854 -2.064 -21.810 1.00 13.23 H new ATOM 0 HA GLU A 12 -0.519 0.125 -21.036 1.00 52.21 H new ATOM 0 HB2 GLU A 12 -3.358 -0.666 -21.095 1.00 60.15 H new ATOM 0 HB3 GLU A 12 -3.020 0.656 -19.996 1.00 60.15 H new ATOM 0 HG2 GLU A 12 -1.515 1.409 -22.186 1.00 53.41 H new ATOM 0 HG3 GLU A 12 -2.839 0.572 -22.971 1.00 53.41 H new ATOM 202 N GLY A 13 -0.489 0.636 -18.572 1.00 1.03 N ATOM 203 CA GLY A 13 -0.185 0.781 -17.158 1.00 43.33 C ATOM 204 C GLY A 13 0.336 2.187 -16.851 1.00 64.23 C ATOM 205 O GLY A 13 1.393 2.582 -17.341 1.00 62.43 O ATOM 0 H GLY A 13 -0.267 1.452 -19.142 1.00 1.03 H new ATOM 0 HA2 GLY A 13 -1.080 0.584 -16.568 1.00 43.33 H new ATOM 0 HA3 GLY A 13 0.560 0.041 -16.865 1.00 43.33 H new ATOM 209 N GLY A 14 -0.429 2.903 -16.042 1.00 14.43 N ATOM 210 CA GLY A 14 -0.058 4.256 -15.664 1.00 13.45 C ATOM 211 C GLY A 14 0.310 4.330 -14.180 1.00 63.43 C ATOM 212 O GLY A 14 1.461 4.595 -13.835 1.00 72.23 O ATOM 0 H GLY A 14 -1.305 2.572 -15.637 1.00 14.43 H new ATOM 0 HA2 GLY A 14 0.786 4.588 -16.269 1.00 13.45 H new ATOM 0 HA3 GLY A 14 -0.885 4.935 -15.871 1.00 13.45 H new ATOM 216 N GLY A 15 -0.688 4.090 -13.343 1.00 21.42 N ATOM 217 CA GLY A 15 -0.483 4.125 -11.905 1.00 11.03 C ATOM 218 C GLY A 15 -1.370 5.186 -11.250 1.00 53.15 C ATOM 219 O GLY A 15 -2.493 4.895 -10.840 1.00 62.13 O ATOM 0 H GLY A 15 -1.641 3.870 -13.633 1.00 21.42 H new ATOM 0 HA2 GLY A 15 -0.705 3.147 -11.479 1.00 11.03 H new ATOM 0 HA3 GLY A 15 0.564 4.337 -11.688 1.00 11.03 H new ATOM 223 N GLY A 16 -0.833 6.395 -11.173 1.00 74.23 N ATOM 224 CA GLY A 16 -1.562 7.501 -10.576 1.00 33.21 C ATOM 225 C GLY A 16 -3.028 7.492 -11.015 1.00 0.31 C ATOM 226 O GLY A 16 -3.915 7.181 -10.222 1.00 14.10 O ATOM 0 H GLY A 16 0.098 6.633 -11.514 1.00 74.23 H new ATOM 0 HA2 GLY A 16 -1.504 7.435 -9.490 1.00 33.21 H new ATOM 0 HA3 GLY A 16 -1.098 8.444 -10.864 1.00 33.21 H new ATOM 230 N GLY A 17 -3.237 7.838 -12.277 1.00 25.02 N ATOM 231 CA GLY A 17 -4.579 7.874 -12.831 1.00 14.13 C ATOM 232 C GLY A 17 -5.176 6.468 -12.914 1.00 33.22 C ATOM 233 O GLY A 17 -4.638 5.601 -13.601 1.00 33.22 O ATOM 0 H GLY A 17 -2.499 8.096 -12.932 1.00 25.02 H new ATOM 0 HA2 GLY A 17 -5.215 8.507 -12.212 1.00 14.13 H new ATOM 0 HA3 GLY A 17 -4.554 8.322 -13.825 1.00 14.13 H new ATOM 237 N GLY A 18 -6.280 6.285 -12.204 1.00 52.23 N ATOM 238 CA GLY A 18 -6.956 4.999 -12.189 1.00 60.02 C ATOM 239 C GLY A 18 -6.747 4.286 -10.852 1.00 34.33 C ATOM 240 O GLY A 18 -5.612 4.070 -10.430 1.00 34.14 O ATOM 0 H GLY A 18 -6.723 7.006 -11.635 1.00 52.23 H new ATOM 0 HA2 GLY A 18 -8.022 5.142 -12.366 1.00 60.02 H new ATOM 0 HA3 GLY A 18 -6.579 4.376 -13.000 1.00 60.02 H new ATOM 244 N GLY A 19 -7.861 3.939 -10.222 1.00 44.43 N ATOM 245 CA GLY A 19 -7.814 3.255 -8.941 1.00 71.14 C ATOM 246 C GLY A 19 -9.129 3.430 -8.178 1.00 65.01 C ATOM 247 O GLY A 19 -10.050 4.084 -8.664 1.00 33.41 O ATOM 0 H GLY A 19 -8.801 4.119 -10.575 1.00 44.43 H new ATOM 0 HA2 GLY A 19 -7.619 2.194 -9.098 1.00 71.14 H new ATOM 0 HA3 GLY A 19 -6.989 3.646 -8.346 1.00 71.14 H new ATOM 251 N GLY A 20 -9.173 2.834 -6.995 1.00 42.34 N ATOM 252 CA GLY A 20 -10.359 2.916 -6.160 1.00 50.22 C ATOM 253 C GLY A 20 -10.030 2.575 -4.705 1.00 42.53 C ATOM 254 O GLY A 20 -10.027 1.406 -4.323 1.00 45.34 O ATOM 0 H GLY A 20 -8.406 2.293 -6.595 1.00 42.34 H new ATOM 0 HA2 GLY A 20 -10.779 3.920 -6.216 1.00 50.22 H new ATOM 0 HA3 GLY A 20 -11.120 2.231 -6.535 1.00 50.22 H new ATOM 258 N SER A 21 -9.761 3.618 -3.933 1.00 60.02 N ATOM 259 CA SER A 21 -9.431 3.444 -2.529 1.00 33.22 C ATOM 260 C SER A 21 -10.448 4.183 -1.657 1.00 35.11 C ATOM 261 O SER A 21 -10.094 4.737 -0.618 1.00 11.24 O ATOM 262 CB SER A 21 -8.016 3.941 -2.230 1.00 24.23 C ATOM 263 OG SER A 21 -7.032 3.233 -2.980 1.00 1.23 O ATOM 0 H SER A 21 -9.765 4.586 -4.253 1.00 60.02 H new ATOM 0 HA SER A 21 -9.469 2.379 -2.298 1.00 33.22 H new ATOM 0 HB2 SER A 21 -7.950 5.005 -2.458 1.00 24.23 H new ATOM 0 HB3 SER A 21 -7.810 3.830 -1.165 1.00 24.23 H new ATOM 0 HG SER A 21 -6.503 2.671 -2.377 1.00 1.23 H new ATOM 269 N ALA A 22 -11.693 4.167 -2.112 1.00 45.15 N ATOM 270 CA ALA A 22 -12.764 4.829 -1.387 1.00 64.11 C ATOM 271 C ALA A 22 -13.469 3.812 -0.488 1.00 30.22 C ATOM 272 O ALA A 22 -14.229 2.973 -0.970 1.00 44.11 O ATOM 273 CB ALA A 22 -13.720 5.491 -2.381 1.00 33.12 C ATOM 0 H ALA A 22 -11.983 3.706 -2.974 1.00 45.15 H new ATOM 0 HA ALA A 22 -12.365 5.615 -0.746 1.00 64.11 H new ATOM 0 HB1 ALA A 22 -14.524 5.988 -1.837 1.00 33.12 H new ATOM 0 HB2 ALA A 22 -13.176 6.225 -2.975 1.00 33.12 H new ATOM 0 HB3 ALA A 22 -14.143 4.732 -3.040 1.00 33.12 H new ATOM 279 N ALA A 23 -13.193 3.920 0.803 1.00 23.35 N ATOM 280 CA ALA A 23 -13.791 3.020 1.775 1.00 73.24 C ATOM 281 C ALA A 23 -13.112 1.652 1.682 1.00 34.21 C ATOM 282 O ALA A 23 -13.727 0.628 1.979 1.00 51.43 O ATOM 283 CB ALA A 23 -15.300 2.939 1.534 1.00 12.30 C ATOM 0 H ALA A 23 -12.563 4.617 1.199 1.00 23.35 H new ATOM 0 HA ALA A 23 -13.642 3.394 2.788 1.00 73.24 H new ATOM 0 HB1 ALA A 23 -15.749 2.264 2.263 1.00 12.30 H new ATOM 0 HB2 ALA A 23 -15.739 3.931 1.639 1.00 12.30 H new ATOM 0 HB3 ALA A 23 -15.488 2.564 0.528 1.00 12.30 H new ATOM 289 N GLU A 24 -11.854 1.678 1.270 1.00 43.25 N ATOM 290 CA GLU A 24 -11.085 0.453 1.134 1.00 24.22 C ATOM 291 C GLU A 24 -10.268 0.196 2.402 1.00 20.13 C ATOM 292 O GLU A 24 -10.179 -0.939 2.868 1.00 65.10 O ATOM 293 CB GLU A 24 -10.180 0.506 -0.099 1.00 13.33 C ATOM 294 CG GLU A 24 -8.848 1.185 0.227 1.00 32.22 C ATOM 295 CD GLU A 24 -7.919 1.180 -0.988 1.00 25.41 C ATOM 296 OE1 GLU A 24 -8.238 0.555 -2.010 1.00 70.13 O ATOM 297 OE2 GLU A 24 -6.830 1.857 -0.844 1.00 62.43 O ATOM 0 H GLU A 24 -11.347 2.529 1.026 1.00 43.25 H new ATOM 0 HA GLU A 24 -11.780 -0.375 0.998 1.00 24.22 H new ATOM 0 HB2 GLU A 24 -9.997 -0.505 -0.464 1.00 13.33 H new ATOM 0 HB3 GLU A 24 -10.682 1.048 -0.900 1.00 13.33 H new ATOM 0 HG2 GLU A 24 -9.028 2.211 0.548 1.00 32.22 H new ATOM 0 HG3 GLU A 24 -8.367 0.670 1.059 1.00 32.22 H new ATOM 305 N ALA A 25 -9.693 1.269 2.925 1.00 21.00 N ATOM 306 CA ALA A 25 -8.887 1.174 4.130 1.00 23.11 C ATOM 307 C ALA A 25 -9.578 1.937 5.262 1.00 25.12 C ATOM 308 O ALA A 25 -9.768 1.399 6.352 1.00 3.41 O ATOM 309 CB ALA A 25 -7.479 1.701 3.846 1.00 41.43 C ATOM 0 H ALA A 25 -9.769 2.209 2.536 1.00 21.00 H new ATOM 0 HA ALA A 25 -8.789 0.135 4.445 1.00 23.11 H new ATOM 0 HB1 ALA A 25 -6.875 1.630 4.750 1.00 41.43 H new ATOM 0 HB2 ALA A 25 -7.021 1.107 3.055 1.00 41.43 H new ATOM 0 HB3 ALA A 25 -7.537 2.743 3.530 1.00 41.43 H new ATOM 315 N TYR A 26 -9.934 3.178 4.965 1.00 72.31 N ATOM 316 CA TYR A 26 -10.600 4.020 5.944 1.00 1.01 C ATOM 317 C TYR A 26 -11.831 3.320 6.523 1.00 54.24 C ATOM 318 O TYR A 26 -12.040 3.324 7.735 1.00 65.31 O ATOM 319 CB TYR A 26 -11.048 5.272 5.188 1.00 1.40 C ATOM 320 CG TYR A 26 -12.566 5.456 5.132 1.00 23.13 C ATOM 321 CD1 TYR A 26 -13.283 5.631 6.298 1.00 30.45 C ATOM 322 CD2 TYR A 26 -13.218 5.447 3.916 1.00 22.10 C ATOM 323 CE1 TYR A 26 -14.712 5.803 6.246 1.00 3.31 C ATOM 324 CE2 TYR A 26 -14.646 5.620 3.864 1.00 74.34 C ATOM 325 CZ TYR A 26 -15.323 5.789 5.031 1.00 2.42 C ATOM 326 OH TYR A 26 -16.672 5.953 4.982 1.00 71.43 O ATOM 0 H TYR A 26 -9.774 3.621 4.060 1.00 72.31 H new ATOM 0 HA TYR A 26 -9.930 4.249 6.772 1.00 1.01 H new ATOM 0 HB2 TYR A 26 -10.603 6.148 5.661 1.00 1.40 H new ATOM 0 HB3 TYR A 26 -10.660 5.228 4.170 1.00 1.40 H new ATOM 0 HD1 TYR A 26 -12.773 5.639 7.250 1.00 30.45 H new ATOM 0 HD2 TYR A 26 -12.657 5.310 3.003 1.00 22.10 H new ATOM 0 HE1 TYR A 26 -15.285 5.940 7.151 1.00 3.31 H new ATOM 0 HE2 TYR A 26 -15.168 5.616 2.919 1.00 74.34 H new ATOM 0 HH TYR A 26 -16.972 5.922 4.049 1.00 71.43 H new ATOM 336 N ALA A 27 -12.616 2.737 5.628 1.00 24.33 N ATOM 337 CA ALA A 27 -13.821 2.034 6.035 1.00 41.33 C ATOM 338 C ALA A 27 -13.434 0.763 6.794 1.00 40.34 C ATOM 339 O ALA A 27 -14.266 0.164 7.473 1.00 0.32 O ATOM 340 CB ALA A 27 -14.680 1.739 4.803 1.00 1.54 C ATOM 0 H ALA A 27 -12.441 2.737 4.623 1.00 24.33 H new ATOM 0 HA ALA A 27 -14.416 2.651 6.708 1.00 41.33 H new ATOM 0 HB1 ALA A 27 -15.584 1.212 5.108 1.00 1.54 H new ATOM 0 HB2 ALA A 27 -14.953 2.676 4.317 1.00 1.54 H new ATOM 0 HB3 ALA A 27 -14.116 1.119 4.106 1.00 1.54 H new ATOM 346 N LYS A 28 -12.171 0.389 6.652 1.00 2.42 N ATOM 347 CA LYS A 28 -11.663 -0.799 7.316 1.00 74.51 C ATOM 348 C LYS A 28 -11.263 -0.446 8.750 1.00 74.32 C ATOM 349 O LYS A 28 -11.673 -1.118 9.696 1.00 41.34 O ATOM 350 CB LYS A 28 -10.533 -1.428 6.499 1.00 44.20 C ATOM 351 CG LYS A 28 -9.441 -1.987 7.413 1.00 20.25 C ATOM 352 CD LYS A 28 -8.323 -2.640 6.597 1.00 13.15 C ATOM 353 CE LYS A 28 -7.922 -3.988 7.198 1.00 24.42 C ATOM 354 NZ LYS A 28 -6.458 -4.183 7.102 1.00 24.12 N ATOM 0 H LYS A 28 -11.484 0.888 6.087 1.00 2.42 H new ATOM 0 HA LYS A 28 -12.440 -1.561 7.380 1.00 74.51 H new ATOM 0 HB2 LYS A 28 -10.933 -2.226 5.874 1.00 44.20 H new ATOM 0 HB3 LYS A 28 -10.105 -0.682 5.829 1.00 44.20 H new ATOM 0 HG2 LYS A 28 -9.028 -1.185 8.025 1.00 20.25 H new ATOM 0 HG3 LYS A 28 -9.873 -2.719 8.096 1.00 20.25 H new ATOM 0 HD2 LYS A 28 -8.653 -2.780 5.568 1.00 13.15 H new ATOM 0 HD3 LYS A 28 -7.457 -1.979 6.566 1.00 13.15 H new ATOM 0 HE2 LYS A 28 -8.233 -4.035 8.242 1.00 24.42 H new ATOM 0 HE3 LYS A 28 -8.437 -4.794 6.675 1.00 24.42 H new ATOM 0 HZ1 LYS A 28 -6.203 -5.103 7.514 1.00 24.12 H new ATOM 0 HZ2 LYS A 28 -6.169 -4.159 6.103 1.00 24.12 H new ATOM 0 HZ3 LYS A 28 -5.972 -3.424 7.621 1.00 24.12 H new ATOM 367 N ARG A 29 -10.468 0.607 8.866 1.00 51.01 N ATOM 368 CA ARG A 29 -10.008 1.058 10.169 1.00 72.45 C ATOM 369 C ARG A 29 -11.187 1.565 11.001 1.00 0.42 C ATOM 370 O ARG A 29 -11.269 1.294 12.198 1.00 24.12 O ATOM 371 CB ARG A 29 -8.972 2.174 10.031 1.00 45.34 C ATOM 372 CG ARG A 29 -7.974 1.861 8.913 1.00 10.53 C ATOM 373 CD ARG A 29 -6.692 2.681 9.078 1.00 71.54 C ATOM 374 NE ARG A 29 -6.869 4.022 8.479 1.00 44.33 N ATOM 375 CZ ARG A 29 -6.022 5.056 8.675 1.00 75.14 C ATOM 376 NH1 ARG A 29 -4.932 4.910 9.457 1.00 61.22 N ATOM 377 NH2 ARG A 29 -6.278 6.211 8.090 1.00 44.51 N ATOM 0 H ARG A 29 -10.130 1.161 8.079 1.00 51.01 H new ATOM 0 HA ARG A 29 -9.544 0.208 10.670 1.00 72.45 H new ATOM 0 HB2 ARG A 29 -9.475 3.118 9.821 1.00 45.34 H new ATOM 0 HB3 ARG A 29 -8.440 2.300 10.974 1.00 45.34 H new ATOM 0 HG2 ARG A 29 -7.734 0.798 8.922 1.00 10.53 H new ATOM 0 HG3 ARG A 29 -8.427 2.077 7.945 1.00 10.53 H new ATOM 0 HD2 ARG A 29 -6.445 2.776 10.135 1.00 71.54 H new ATOM 0 HD3 ARG A 29 -5.858 2.167 8.600 1.00 71.54 H new ATOM 0 HE ARG A 29 -7.681 4.175 7.881 1.00 44.33 H new ATOM 0 HH11 ARG A 29 -4.742 4.014 9.905 1.00 61.22 H new ATOM 0 HH12 ARG A 29 -4.298 5.696 9.600 1.00 61.22 H new ATOM 0 HH21 ARG A 29 -7.105 6.312 7.501 1.00 44.51 H new ATOM 0 HH22 ARG A 29 -5.649 7.002 8.227 1.00 44.51 H new ATOM 390 N ILE A 30 -12.071 2.293 10.335 1.00 41.41 N ATOM 391 CA ILE A 30 -13.241 2.842 10.999 1.00 75.44 C ATOM 392 C ILE A 30 -13.753 1.837 12.034 1.00 44.54 C ATOM 393 O ILE A 30 -13.894 2.170 13.209 1.00 23.04 O ATOM 394 CB ILE A 30 -14.296 3.255 9.970 1.00 0.20 C ATOM 395 CG1 ILE A 30 -13.842 4.488 9.185 1.00 73.42 C ATOM 396 CG2 ILE A 30 -15.657 3.469 10.636 1.00 70.34 C ATOM 397 CD1 ILE A 30 -14.644 5.725 9.595 1.00 24.32 C ATOM 0 H ILE A 30 -12.001 2.516 9.342 1.00 41.41 H new ATOM 0 HA ILE A 30 -12.981 3.753 11.539 1.00 75.44 H new ATOM 0 HB ILE A 30 -14.412 2.441 9.254 1.00 0.20 H new ATOM 0 HG12 ILE A 30 -12.781 4.664 9.359 1.00 73.42 H new ATOM 0 HG13 ILE A 30 -13.964 4.309 8.117 1.00 73.42 H new ATOM 0 HG21 ILE A 30 -16.389 3.762 9.883 1.00 70.34 H new ATOM 0 HG22 ILE A 30 -15.978 2.543 11.113 1.00 70.34 H new ATOM 0 HG23 ILE A 30 -15.575 4.255 11.387 1.00 70.34 H new ATOM 0 HD11 ILE A 30 -14.302 6.587 9.022 1.00 24.32 H new ATOM 0 HD12 ILE A 30 -15.702 5.555 9.397 1.00 24.32 H new ATOM 0 HD13 ILE A 30 -14.500 5.916 10.659 1.00 24.32 H new ATOM 409 N ALA A 31 -14.016 0.629 11.559 1.00 71.03 N ATOM 410 CA ALA A 31 -14.508 -0.426 12.428 1.00 15.13 C ATOM 411 C ALA A 31 -13.649 -0.481 13.693 1.00 62.43 C ATOM 412 O ALA A 31 -14.171 -0.436 14.805 1.00 33.43 O ATOM 413 CB ALA A 31 -14.514 -1.754 11.668 1.00 43.40 C ATOM 0 H ALA A 31 -13.898 0.357 10.583 1.00 71.03 H new ATOM 0 HA ALA A 31 -15.534 -0.223 12.735 1.00 15.13 H new ATOM 0 HB1 ALA A 31 -14.883 -2.545 12.321 1.00 43.40 H new ATOM 0 HB2 ALA A 31 -15.162 -1.671 10.796 1.00 43.40 H new ATOM 0 HB3 ALA A 31 -13.501 -1.993 11.345 1.00 43.40 H new ATOM 419 N GLU A 32 -12.345 -0.578 13.479 1.00 22.34 N ATOM 420 CA GLU A 32 -11.408 -0.640 14.588 1.00 23.41 C ATOM 421 C GLU A 32 -11.701 0.474 15.595 1.00 75.15 C ATOM 422 O GLU A 32 -11.919 0.207 16.775 1.00 2.15 O ATOM 423 CB GLU A 32 -9.963 -0.563 14.090 1.00 12.51 C ATOM 424 CG GLU A 32 -9.681 -1.651 13.053 1.00 74.24 C ATOM 425 CD GLU A 32 -8.298 -2.269 13.268 1.00 51.21 C ATOM 426 OE1 GLU A 32 -7.338 -1.895 12.578 1.00 72.13 O ATOM 427 OE2 GLU A 32 -8.240 -3.167 14.192 1.00 60.33 O ATOM 0 H GLU A 32 -11.915 -0.615 12.555 1.00 22.34 H new ATOM 0 HA GLU A 32 -11.534 -1.599 15.091 1.00 23.41 H new ATOM 0 HB2 GLU A 32 -9.777 0.418 13.653 1.00 12.51 H new ATOM 0 HB3 GLU A 32 -9.279 -0.672 14.931 1.00 12.51 H new ATOM 0 HG2 GLU A 32 -10.444 -2.427 13.118 1.00 74.24 H new ATOM 0 HG3 GLU A 32 -9.742 -1.227 12.051 1.00 74.24 H new ATOM 435 N ALA A 33 -11.699 1.699 15.090 1.00 4.02 N ATOM 436 CA ALA A 33 -11.962 2.855 15.930 1.00 31.14 C ATOM 437 C ALA A 33 -13.262 2.631 16.706 1.00 70.34 C ATOM 438 O ALA A 33 -13.282 2.724 17.932 1.00 65.31 O ATOM 439 CB ALA A 33 -12.010 4.115 15.065 1.00 45.45 C ATOM 0 H ALA A 33 -11.519 1.916 14.110 1.00 4.02 H new ATOM 0 HA ALA A 33 -11.162 2.990 16.658 1.00 31.14 H new ATOM 0 HB1 ALA A 33 -12.207 4.982 15.696 1.00 45.45 H new ATOM 0 HB2 ALA A 33 -11.054 4.245 14.558 1.00 45.45 H new ATOM 0 HB3 ALA A 33 -12.803 4.017 14.324 1.00 45.45 H new ATOM 445 N MET A 34 -14.317 2.340 15.958 1.00 24.31 N ATOM 446 CA MET A 34 -15.618 2.102 16.560 1.00 64.42 C ATOM 447 C MET A 34 -15.578 0.886 17.489 1.00 40.43 C ATOM 448 O MET A 34 -16.510 0.658 18.258 1.00 10.12 O ATOM 449 CB MET A 34 -16.654 1.869 15.459 1.00 15.41 C ATOM 450 CG MET A 34 -16.791 3.104 14.565 1.00 31.24 C ATOM 451 SD MET A 34 -18.168 4.102 15.109 1.00 25.21 S ATOM 452 CE MET A 34 -17.292 5.384 15.990 1.00 60.11 C ATOM 0 H MET A 34 -14.297 2.264 14.941 1.00 24.31 H new ATOM 0 HA MET A 34 -15.891 2.977 17.149 1.00 64.42 H new ATOM 0 HB2 MET A 34 -16.362 1.009 14.856 1.00 15.41 H new ATOM 0 HB3 MET A 34 -17.619 1.631 15.907 1.00 15.41 H new ATOM 0 HG2 MET A 34 -15.872 3.689 14.596 1.00 31.24 H new ATOM 0 HG3 MET A 34 -16.939 2.799 13.529 1.00 31.24 H new ATOM 0 HE1 MET A 34 -17.945 6.247 16.120 1.00 60.11 H new ATOM 0 HE2 MET A 34 -16.986 5.010 16.967 1.00 60.11 H new ATOM 0 HE3 MET A 34 -16.410 5.678 15.422 1.00 60.11 H new ATOM 462 N ALA A 35 -14.489 0.139 17.386 1.00 31.42 N ATOM 463 CA ALA A 35 -14.316 -1.048 18.208 1.00 42.55 C ATOM 464 C ALA A 35 -13.709 -0.646 19.553 1.00 23.34 C ATOM 465 O ALA A 35 -14.303 -0.887 20.603 1.00 53.30 O ATOM 466 CB ALA A 35 -13.453 -2.065 17.459 1.00 60.41 C ATOM 0 H ALA A 35 -13.718 0.332 16.747 1.00 31.42 H new ATOM 0 HA ALA A 35 -15.277 -1.521 18.408 1.00 42.55 H new ATOM 0 HB1 ALA A 35 -13.323 -2.955 18.075 1.00 60.41 H new ATOM 0 HB2 ALA A 35 -13.942 -2.339 16.524 1.00 60.41 H new ATOM 0 HB3 ALA A 35 -12.478 -1.627 17.244 1.00 60.41 H new ATOM 472 N LYS A 36 -12.532 -0.042 19.479 1.00 51.20 N ATOM 473 CA LYS A 36 -11.838 0.395 20.678 1.00 1.14 C ATOM 474 C LYS A 36 -11.184 1.754 20.418 1.00 73.31 C ATOM 475 O LYS A 36 -10.361 1.887 19.514 1.00 4.22 O ATOM 476 CB LYS A 36 -10.856 -0.679 21.151 1.00 73.34 C ATOM 477 CG LYS A 36 -10.976 -0.906 22.659 1.00 22.40 C ATOM 478 CD LYS A 36 -10.095 0.077 23.433 1.00 72.30 C ATOM 479 CE LYS A 36 -8.641 -0.397 23.463 1.00 3.22 C ATOM 480 NZ LYS A 36 -8.095 -0.308 24.836 1.00 32.22 N ATOM 0 H LYS A 36 -12.041 0.155 18.607 1.00 51.20 H new ATOM 0 HA LYS A 36 -12.544 0.532 21.497 1.00 1.14 H new ATOM 0 HB2 LYS A 36 -11.050 -1.612 20.623 1.00 73.34 H new ATOM 0 HB3 LYS A 36 -9.837 -0.379 20.905 1.00 73.34 H new ATOM 0 HG2 LYS A 36 -12.015 -0.789 22.967 1.00 22.40 H new ATOM 0 HG3 LYS A 36 -10.686 -1.928 22.901 1.00 22.40 H new ATOM 0 HD2 LYS A 36 -10.151 1.063 22.971 1.00 72.30 H new ATOM 0 HD3 LYS A 36 -10.468 0.181 24.452 1.00 72.30 H new ATOM 0 HE2 LYS A 36 -8.580 -1.425 23.107 1.00 3.22 H new ATOM 0 HE3 LYS A 36 -8.040 0.211 22.786 1.00 3.22 H new ATOM 0 HZ1 LYS A 36 -7.107 -0.633 24.839 1.00 32.22 H new ATOM 0 HZ2 LYS A 36 -8.135 0.679 25.162 1.00 32.22 H new ATOM 0 HZ3 LYS A 36 -8.658 -0.907 25.473 1.00 32.22 H new ATOM 493 N GLY A 37 -11.576 2.728 21.226 1.00 32.30 N ATOM 494 CA GLY A 37 -11.039 4.071 21.094 1.00 4.23 C ATOM 495 C GLY A 37 -10.670 4.651 22.461 1.00 25.45 C ATOM 496 O GLY A 37 -9.630 5.291 22.608 1.00 42.21 O ATOM 0 H GLY A 37 -12.259 2.614 21.975 1.00 32.30 H new ATOM 0 HA2 GLY A 37 -10.158 4.053 20.453 1.00 4.23 H new ATOM 0 HA3 GLY A 37 -11.773 4.714 20.608 1.00 4.23 H new TER 500 GLY A 37