USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=7 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+ 136:sc= 0.0516 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00405 X(o=-0.004,f=0.16) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 141:sc= 0.774 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0204 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 -8.563 3.396 -23.544 1.00 50.11 N ATOM 2 CA ARG A 1 -9.038 2.771 -22.321 1.00 40.23 C ATOM 3 C ARG A 1 -9.151 1.257 -22.508 1.00 62.23 C ATOM 4 O ARG A 1 -9.474 0.785 -23.597 1.00 61.42 O ATOM 5 CB ARG A 1 -10.402 3.330 -21.911 1.00 4.43 C ATOM 6 CG ARG A 1 -10.244 4.496 -20.933 1.00 11.34 C ATOM 7 CD ARG A 1 -11.320 5.558 -21.167 1.00 52.35 C ATOM 8 NE ARG A 1 -11.710 6.177 -19.881 1.00 3.41 N ATOM 9 CZ ARG A 1 -12.503 7.264 -19.774 1.00 0.55 C ATOM 10 NH1 ARG A 1 -12.999 7.863 -20.878 1.00 23.34 N ATOM 11 NH2 ARG A 1 -12.787 7.734 -18.573 1.00 25.22 N ATOM 0 H1 ARG A 1 -9.122 4.251 -23.737 1.00 50.11 H new ATOM 0 H2 ARG A 1 -7.561 3.654 -23.436 1.00 50.11 H new ATOM 0 H3 ARG A 1 -8.665 2.730 -24.336 1.00 50.11 H new ATOM 0 HA ARG A 1 -8.316 2.991 -21.534 1.00 40.23 H new ATOM 0 HB2 ARG A 1 -10.943 3.664 -22.796 1.00 4.43 H new ATOM 0 HB3 ARG A 1 -10.999 2.542 -21.451 1.00 4.43 H new ATOM 0 HG2 ARG A 1 -10.308 4.128 -19.909 1.00 11.34 H new ATOM 0 HG3 ARG A 1 -9.256 4.942 -21.050 1.00 11.34 H new ATOM 0 HD2 ARG A 1 -10.946 6.322 -21.849 1.00 52.35 H new ATOM 0 HD3 ARG A 1 -12.191 5.106 -21.641 1.00 52.35 H new ATOM 0 HE ARG A 1 -11.358 5.756 -19.021 1.00 3.41 H new ATOM 0 HH11 ARG A 1 -12.775 7.494 -21.802 1.00 23.34 H new ATOM 0 HH12 ARG A 1 -13.597 8.684 -20.787 1.00 23.34 H new ATOM 0 HH21 ARG A 1 -12.409 7.276 -17.744 1.00 25.22 H new ATOM 0 HH22 ARG A 1 -13.385 8.555 -18.475 1.00 25.22 H new ATOM 24 N GLY A 2 -8.878 0.538 -21.430 1.00 31.54 N ATOM 25 CA GLY A 2 -8.945 -0.914 -21.461 1.00 40.41 C ATOM 26 C GLY A 2 -7.571 -1.532 -21.192 1.00 15.21 C ATOM 27 O GLY A 2 -6.697 -1.512 -22.057 1.00 54.11 O ATOM 0 H GLY A 2 -8.610 0.933 -20.529 1.00 31.54 H new ATOM 0 HA2 GLY A 2 -9.658 -1.265 -20.715 1.00 40.41 H new ATOM 0 HA3 GLY A 2 -9.312 -1.244 -22.433 1.00 40.41 H new ATOM 31 N LYS A 3 -7.424 -2.066 -19.989 1.00 32.35 N ATOM 32 CA LYS A 3 -6.172 -2.689 -19.594 1.00 60.14 C ATOM 33 C LYS A 3 -6.222 -4.181 -19.929 1.00 33.45 C ATOM 34 O LYS A 3 -7.246 -4.684 -20.389 1.00 52.11 O ATOM 35 CB LYS A 3 -5.869 -2.398 -18.123 1.00 64.23 C ATOM 36 CG LYS A 3 -6.461 -1.054 -17.697 1.00 15.33 C ATOM 37 CD LYS A 3 -6.104 0.046 -18.699 1.00 31.23 C ATOM 38 CE LYS A 3 -5.907 1.388 -17.992 1.00 43.41 C ATOM 39 NZ LYS A 3 -6.411 2.496 -18.834 1.00 45.33 N ATOM 0 H LYS A 3 -8.151 -2.080 -19.274 1.00 32.35 H new ATOM 0 HA LYS A 3 -5.341 -2.264 -20.156 1.00 60.14 H new ATOM 0 HB2 LYS A 3 -6.278 -3.193 -17.500 1.00 64.23 H new ATOM 0 HB3 LYS A 3 -4.791 -2.391 -17.965 1.00 64.23 H new ATOM 0 HG2 LYS A 3 -7.545 -1.139 -17.616 1.00 15.33 H new ATOM 0 HG3 LYS A 3 -6.088 -0.785 -16.709 1.00 15.33 H new ATOM 0 HD2 LYS A 3 -5.193 -0.225 -19.233 1.00 31.23 H new ATOM 0 HD3 LYS A 3 -6.895 0.136 -19.443 1.00 31.23 H new ATOM 0 HE2 LYS A 3 -6.431 1.383 -17.036 1.00 43.41 H new ATOM 0 HE3 LYS A 3 -4.850 1.540 -17.775 1.00 43.41 H new ATOM 0 HZ1 LYS A 3 -6.270 3.400 -18.339 1.00 45.33 H new ATOM 0 HZ2 LYS A 3 -5.893 2.510 -19.736 1.00 45.33 H new ATOM 0 HZ3 LYS A 3 -7.425 2.358 -19.019 1.00 45.33 H new ATOM 52 N TRP A 4 -5.104 -4.848 -19.683 1.00 62.04 N ATOM 53 CA TRP A 4 -5.007 -6.273 -19.953 1.00 15.35 C ATOM 54 C TRP A 4 -3.694 -6.779 -19.353 1.00 34.44 C ATOM 55 O TRP A 4 -2.615 -6.384 -19.790 1.00 23.14 O ATOM 56 CB TRP A 4 -5.129 -6.557 -21.451 1.00 32.12 C ATOM 57 CG TRP A 4 -4.296 -5.623 -22.331 1.00 75.12 C ATOM 58 CD1 TRP A 4 -4.698 -4.516 -22.971 1.00 73.41 C ATOM 59 CD2 TRP A 4 -2.894 -5.760 -22.645 1.00 34.24 C ATOM 60 NE1 TRP A 4 -3.662 -3.933 -23.671 1.00 51.52 N ATOM 61 CE2 TRP A 4 -2.530 -4.713 -23.466 1.00 53.02 C ATOM 62 CE3 TRP A 4 -1.964 -6.737 -22.247 1.00 14.12 C ATOM 63 CZ2 TRP A 4 -1.232 -4.542 -23.960 1.00 44.13 C ATOM 64 CZ3 TRP A 4 -0.671 -6.552 -22.749 1.00 42.42 C ATOM 65 CH2 TRP A 4 -0.288 -5.503 -23.577 1.00 53.13 C ATOM 0 H TRP A 4 -4.257 -4.428 -19.300 1.00 62.04 H new ATOM 0 HA TRP A 4 -5.833 -6.811 -19.487 1.00 15.35 H new ATOM 0 HB2 TRP A 4 -4.825 -7.586 -21.641 1.00 32.12 H new ATOM 0 HB3 TRP A 4 -6.176 -6.475 -21.742 1.00 32.12 H new ATOM 0 HD1 TRP A 4 -5.706 -4.129 -22.942 1.00 73.41 H new ATOM 0 HE1 TRP A 4 -3.717 -3.085 -24.235 1.00 51.52 H new ATOM 0 HE3 TRP A 4 -2.227 -7.565 -21.605 1.00 14.12 H new ATOM 0 HZ2 TRP A 4 -0.972 -3.713 -24.602 1.00 44.13 H new ATOM 0 HZ3 TRP A 4 0.083 -7.275 -22.474 1.00 42.42 H new ATOM 0 HH2 TRP A 4 0.732 -5.430 -23.923 1.00 53.13 H new ATOM 76 N THR A 5 -3.830 -7.647 -18.360 1.00 51.05 N ATOM 77 CA THR A 5 -2.668 -8.212 -17.696 1.00 42.11 C ATOM 78 C THR A 5 -1.828 -9.021 -18.687 1.00 11.24 C ATOM 79 O THR A 5 -2.367 -9.632 -19.608 1.00 65.22 O ATOM 80 CB THR A 5 -3.159 -9.034 -16.503 1.00 5.35 C ATOM 81 OG1 THR A 5 -3.574 -8.055 -15.554 1.00 55.44 O ATOM 82 CG2 THR A 5 -2.023 -9.777 -15.797 1.00 4.04 C ATOM 0 H THR A 5 -4.727 -7.972 -18.000 1.00 51.05 H new ATOM 0 HA THR A 5 -2.007 -7.430 -17.321 1.00 42.11 H new ATOM 0 HB THR A 5 -3.908 -9.751 -16.840 1.00 5.35 H new ATOM 0 HG1 THR A 5 -2.785 -7.640 -15.146 1.00 55.44 H new ATOM 0 HG21 THR A 5 -2.426 -10.345 -14.958 1.00 4.04 H new ATOM 0 HG22 THR A 5 -1.542 -10.458 -16.499 1.00 4.04 H new ATOM 0 HG23 THR A 5 -1.291 -9.058 -15.430 1.00 4.04 H new ATOM 90 N TYR A 6 -0.522 -8.998 -18.463 1.00 54.00 N ATOM 91 CA TYR A 6 0.397 -9.722 -19.324 1.00 42.45 C ATOM 92 C TYR A 6 1.309 -10.639 -18.506 1.00 53.52 C ATOM 93 O TYR A 6 2.510 -10.395 -18.404 1.00 61.13 O ATOM 94 CB TYR A 6 1.252 -8.658 -20.016 1.00 61.25 C ATOM 95 CG TYR A 6 2.489 -9.217 -20.723 1.00 55.14 C ATOM 96 CD1 TYR A 6 2.392 -10.371 -21.473 1.00 71.44 C ATOM 97 CD2 TYR A 6 3.701 -8.566 -20.611 1.00 73.42 C ATOM 98 CE1 TYR A 6 3.556 -10.897 -22.139 1.00 34.32 C ATOM 99 CE2 TYR A 6 4.864 -9.092 -21.277 1.00 24.45 C ATOM 100 CZ TYR A 6 4.734 -10.232 -22.007 1.00 44.15 C ATOM 101 OH TYR A 6 5.834 -10.729 -22.636 1.00 15.41 O ATOM 0 H TYR A 6 -0.079 -8.489 -17.698 1.00 54.00 H new ATOM 0 HA TYR A 6 -0.150 -10.345 -20.032 1.00 42.45 H new ATOM 0 HB2 TYR A 6 0.637 -8.130 -20.745 1.00 61.25 H new ATOM 0 HB3 TYR A 6 1.570 -7.924 -19.276 1.00 61.25 H new ATOM 0 HD1 TYR A 6 1.443 -10.880 -21.561 1.00 71.44 H new ATOM 0 HD2 TYR A 6 3.777 -7.663 -20.024 1.00 73.42 H new ATOM 0 HE1 TYR A 6 3.494 -11.799 -22.730 1.00 34.32 H new ATOM 0 HE2 TYR A 6 5.818 -8.592 -21.199 1.00 24.45 H new ATOM 0 HH TYR A 6 6.604 -10.151 -22.454 1.00 15.41 H new ATOM 111 N ASN A 7 0.702 -11.674 -17.944 1.00 4.32 N ATOM 112 CA ASN A 7 1.444 -12.628 -17.138 1.00 23.23 C ATOM 113 C ASN A 7 1.766 -12.001 -15.780 1.00 20.03 C ATOM 114 O ASN A 7 2.883 -12.129 -15.282 1.00 25.32 O ATOM 115 CB ASN A 7 2.766 -13.006 -17.809 1.00 22.01 C ATOM 116 CG ASN A 7 3.180 -14.433 -17.442 1.00 14.54 C ATOM 117 OD1 ASN A 7 3.223 -14.815 -16.284 1.00 24.21 O ATOM 118 ND2 ASN A 7 3.480 -15.195 -18.489 1.00 34.52 N ATOM 0 H ASN A 7 -0.295 -11.873 -18.031 1.00 4.32 H new ATOM 0 HA ASN A 7 0.830 -13.521 -17.023 1.00 23.23 H new ATOM 0 HB2 ASN A 7 2.666 -12.920 -18.891 1.00 22.01 H new ATOM 0 HB3 ASN A 7 3.545 -12.308 -17.504 1.00 22.01 H new ATOM 0 HD21 ASN A 7 3.767 -16.164 -18.349 1.00 34.52 H new ATOM 0 HD22 ASN A 7 3.423 -14.811 -19.432 1.00 34.52 H new ATOM 125 N GLY A 8 0.766 -11.336 -15.219 1.00 65.21 N ATOM 126 CA GLY A 8 0.929 -10.689 -13.928 1.00 51.24 C ATOM 127 C GLY A 8 0.796 -9.170 -14.056 1.00 52.12 C ATOM 128 O GLY A 8 0.147 -8.528 -13.231 1.00 63.50 O ATOM 0 H GLY A 8 -0.160 -11.231 -15.635 1.00 65.21 H new ATOM 0 HA2 GLY A 8 0.180 -11.066 -13.231 1.00 51.24 H new ATOM 0 HA3 GLY A 8 1.905 -10.939 -13.513 1.00 51.24 H new ATOM 132 N ILE A 9 1.420 -8.639 -15.097 1.00 2.30 N ATOM 133 CA ILE A 9 1.380 -7.207 -15.343 1.00 74.35 C ATOM 134 C ILE A 9 -0.058 -6.708 -15.188 1.00 73.01 C ATOM 135 O ILE A 9 -0.988 -7.506 -15.077 1.00 63.14 O ATOM 136 CB ILE A 9 2.001 -6.880 -16.703 1.00 12.12 C ATOM 137 CG1 ILE A 9 3.349 -6.176 -16.534 1.00 70.23 C ATOM 138 CG2 ILE A 9 1.034 -6.067 -17.566 1.00 12.10 C ATOM 139 CD1 ILE A 9 3.157 -4.710 -16.143 1.00 51.40 C ATOM 0 H ILE A 9 1.956 -9.174 -15.780 1.00 2.30 H new ATOM 0 HA ILE A 9 1.984 -6.676 -14.607 1.00 74.35 H new ATOM 0 HB ILE A 9 2.190 -7.817 -17.227 1.00 12.12 H new ATOM 0 HG12 ILE A 9 3.936 -6.686 -15.770 1.00 70.23 H new ATOM 0 HG13 ILE A 9 3.914 -6.237 -17.464 1.00 70.23 H new ATOM 0 HG21 ILE A 9 1.500 -5.848 -18.527 1.00 12.10 H new ATOM 0 HG22 ILE A 9 0.121 -6.640 -17.728 1.00 12.10 H new ATOM 0 HG23 ILE A 9 0.791 -5.133 -17.059 1.00 12.10 H new ATOM 0 HD11 ILE A 9 4.131 -4.233 -16.029 1.00 51.40 H new ATOM 0 HD12 ILE A 9 2.590 -4.197 -16.920 1.00 51.40 H new ATOM 0 HD13 ILE A 9 2.613 -4.653 -15.200 1.00 51.40 H new ATOM 151 N THR A 10 -0.196 -5.390 -15.185 1.00 32.31 N ATOM 152 CA THR A 10 -1.505 -4.775 -15.045 1.00 32.20 C ATOM 153 C THR A 10 -1.799 -3.869 -16.242 1.00 75.43 C ATOM 154 O THR A 10 -2.925 -3.834 -16.736 1.00 53.15 O ATOM 155 CB THR A 10 -1.541 -4.040 -13.704 1.00 31.13 C ATOM 156 OG1 THR A 10 -1.621 -5.084 -12.737 1.00 60.45 O ATOM 157 CG2 THR A 10 -2.835 -3.248 -13.504 1.00 71.33 C ATOM 0 H THR A 10 0.577 -4.731 -15.277 1.00 32.31 H new ATOM 0 HA THR A 10 -2.296 -5.525 -15.043 1.00 32.20 H new ATOM 0 HB THR A 10 -0.688 -3.365 -13.638 1.00 31.13 H new ATOM 0 HG1 THR A 10 -1.647 -4.696 -11.838 1.00 60.45 H new ATOM 0 HG21 THR A 10 -2.808 -2.746 -12.537 1.00 71.33 H new ATOM 0 HG22 THR A 10 -2.933 -2.505 -14.296 1.00 71.33 H new ATOM 0 HG23 THR A 10 -3.686 -3.928 -13.536 1.00 71.33 H new ATOM 165 N TYR A 11 -0.768 -3.160 -16.674 1.00 44.53 N ATOM 166 CA TYR A 11 -0.901 -2.256 -17.804 1.00 73.15 C ATOM 167 C TYR A 11 -2.138 -1.368 -17.653 1.00 71.13 C ATOM 168 O TYR A 11 -2.773 -1.009 -18.643 1.00 53.44 O ATOM 169 CB TYR A 11 -1.074 -3.146 -19.037 1.00 54.41 C ATOM 170 CG TYR A 11 0.226 -3.781 -19.534 1.00 10.51 C ATOM 171 CD1 TYR A 11 1.404 -3.566 -18.848 1.00 65.41 C ATOM 172 CD2 TYR A 11 0.221 -4.567 -20.668 1.00 33.34 C ATOM 173 CE1 TYR A 11 2.628 -4.164 -19.316 1.00 4.05 C ATOM 174 CE2 TYR A 11 1.445 -5.165 -21.135 1.00 55.11 C ATOM 175 CZ TYR A 11 2.588 -4.934 -20.436 1.00 10.20 C ATOM 176 OH TYR A 11 3.744 -5.498 -20.877 1.00 71.15 O ATOM 0 H TYR A 11 0.164 -3.193 -16.262 1.00 44.53 H new ATOM 0 HA TYR A 11 -0.031 -1.603 -17.878 1.00 73.15 H new ATOM 0 HB2 TYR A 11 -1.787 -3.937 -18.804 1.00 54.41 H new ATOM 0 HB3 TYR A 11 -1.508 -2.553 -19.842 1.00 54.41 H new ATOM 0 HD1 TYR A 11 1.408 -2.950 -17.961 1.00 65.41 H new ATOM 0 HD2 TYR A 11 -0.701 -4.734 -21.205 1.00 33.34 H new ATOM 0 HE1 TYR A 11 3.557 -4.004 -18.789 1.00 4.05 H new ATOM 0 HE2 TYR A 11 1.455 -5.783 -22.021 1.00 55.11 H new ATOM 0 HH TYR A 11 3.562 -6.404 -21.202 1.00 71.15 H new ATOM 186 N GLU A 12 -2.443 -1.040 -16.406 1.00 42.04 N ATOM 187 CA GLU A 12 -3.592 -0.201 -16.113 1.00 12.12 C ATOM 188 C GLU A 12 -3.142 1.230 -15.811 1.00 62.14 C ATOM 189 O GLU A 12 -3.942 2.162 -15.872 1.00 41.23 O ATOM 190 CB GLU A 12 -4.408 -0.775 -14.953 1.00 1.33 C ATOM 191 CG GLU A 12 -5.370 0.272 -14.388 1.00 52.42 C ATOM 192 CD GLU A 12 -6.386 -0.370 -13.442 1.00 20.34 C ATOM 193 OE1 GLU A 12 -6.000 -1.132 -12.542 1.00 40.23 O ATOM 194 OE2 GLU A 12 -7.616 -0.053 -13.665 1.00 12.20 O ATOM 0 H GLU A 12 -1.914 -1.340 -15.587 1.00 42.04 H new ATOM 0 HA GLU A 12 -4.236 -0.180 -16.992 1.00 12.12 H new ATOM 0 HB2 GLU A 12 -4.970 -1.644 -15.294 1.00 1.33 H new ATOM 0 HB3 GLU A 12 -3.736 -1.119 -14.166 1.00 1.33 H new ATOM 0 HG2 GLU A 12 -4.807 1.039 -13.856 1.00 52.42 H new ATOM 0 HG3 GLU A 12 -5.892 0.769 -15.205 1.00 52.42 H new ATOM 202 N GLY A 13 -1.862 1.359 -15.493 1.00 32.22 N ATOM 203 CA GLY A 13 -1.296 2.660 -15.182 1.00 2.32 C ATOM 204 C GLY A 13 -1.995 3.288 -13.974 1.00 42.01 C ATOM 205 O GLY A 13 -3.113 3.787 -14.090 1.00 1.31 O ATOM 0 H GLY A 13 -1.201 0.584 -15.444 1.00 32.22 H new ATOM 0 HA2 GLY A 13 -0.230 2.557 -14.977 1.00 2.32 H new ATOM 0 HA3 GLY A 13 -1.393 3.318 -16.045 1.00 2.32 H new ATOM 209 N GLY A 14 -1.307 3.242 -12.843 1.00 3.32 N ATOM 210 CA GLY A 14 -1.847 3.800 -11.615 1.00 15.40 C ATOM 211 C GLY A 14 -3.290 3.341 -11.393 1.00 10.43 C ATOM 212 O GLY A 14 -3.660 2.235 -11.782 1.00 52.14 O ATOM 0 H GLY A 14 -0.380 2.827 -12.751 1.00 3.32 H new ATOM 0 HA2 GLY A 14 -1.230 3.494 -10.770 1.00 15.40 H new ATOM 0 HA3 GLY A 14 -1.810 4.889 -11.659 1.00 15.40 H new ATOM 216 N GLY A 15 -4.065 4.215 -10.767 1.00 74.21 N ATOM 217 CA GLY A 15 -5.459 3.913 -10.488 1.00 52.14 C ATOM 218 C GLY A 15 -6.304 4.000 -11.761 1.00 12.31 C ATOM 219 O GLY A 15 -6.743 2.980 -12.290 1.00 12.21 O ATOM 0 H GLY A 15 -3.754 5.132 -10.445 1.00 74.21 H new ATOM 0 HA2 GLY A 15 -5.540 2.913 -10.061 1.00 52.14 H new ATOM 0 HA3 GLY A 15 -5.844 4.610 -9.743 1.00 52.14 H new ATOM 223 N GLY A 16 -6.507 5.228 -12.216 1.00 3.15 N ATOM 224 CA GLY A 16 -7.291 5.462 -13.416 1.00 73.20 C ATOM 225 C GLY A 16 -6.818 6.722 -14.144 1.00 32.23 C ATOM 226 O GLY A 16 -6.177 6.635 -15.190 1.00 24.14 O ATOM 0 H GLY A 16 -6.142 6.072 -11.774 1.00 3.15 H new ATOM 0 HA2 GLY A 16 -7.210 4.602 -14.081 1.00 73.20 H new ATOM 0 HA3 GLY A 16 -8.344 5.564 -13.153 1.00 73.20 H new ATOM 230 N GLY A 17 -7.153 7.864 -13.562 1.00 32.25 N ATOM 231 CA GLY A 17 -6.771 9.140 -14.141 1.00 64.04 C ATOM 232 C GLY A 17 -5.803 9.891 -13.224 1.00 54.12 C ATOM 233 O GLY A 17 -4.621 10.021 -13.536 1.00 64.41 O ATOM 0 H GLY A 17 -7.685 7.932 -12.695 1.00 32.25 H new ATOM 0 HA2 GLY A 17 -6.305 8.977 -15.113 1.00 64.04 H new ATOM 0 HA3 GLY A 17 -7.660 9.747 -14.312 1.00 64.04 H new ATOM 237 N GLY A 18 -6.342 10.367 -12.111 1.00 74.42 N ATOM 238 CA GLY A 18 -5.542 11.101 -11.147 1.00 1.44 C ATOM 239 C GLY A 18 -6.114 10.956 -9.735 1.00 23.51 C ATOM 240 O GLY A 18 -6.995 10.130 -9.500 1.00 64.35 O ATOM 0 H GLY A 18 -7.324 10.258 -11.856 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -4.516 10.734 -11.167 1.00 1.44 H new ATOM 0 HA3 GLY A 18 -5.509 12.155 -11.423 1.00 1.44 H new ATOM 244 N GLY A 19 -5.589 11.770 -8.831 1.00 52.34 N ATOM 245 CA GLY A 19 -6.036 11.742 -7.449 1.00 54.32 C ATOM 246 C GLY A 19 -7.186 12.727 -7.225 1.00 32.42 C ATOM 247 O GLY A 19 -6.968 13.935 -7.150 1.00 72.24 O ATOM 0 H GLY A 19 -4.858 12.453 -9.029 1.00 52.34 H new ATOM 0 HA2 GLY A 19 -6.359 10.734 -7.188 1.00 54.32 H new ATOM 0 HA3 GLY A 19 -5.205 11.991 -6.789 1.00 54.32 H new ATOM 251 N GLY A 20 -8.386 12.173 -7.123 1.00 65.24 N ATOM 252 CA GLY A 20 -9.570 12.987 -6.909 1.00 60.30 C ATOM 253 C GLY A 20 -10.148 12.756 -5.511 1.00 52.14 C ATOM 254 O GLY A 20 -9.895 13.536 -4.594 1.00 64.24 O ATOM 0 H GLY A 20 -8.563 11.170 -7.185 1.00 65.24 H new ATOM 0 HA2 GLY A 20 -9.319 14.040 -7.033 1.00 60.30 H new ATOM 0 HA3 GLY A 20 -10.321 12.747 -7.661 1.00 60.30 H new ATOM 258 N SER A 21 -10.914 11.682 -5.393 1.00 34.24 N ATOM 259 CA SER A 21 -11.531 11.339 -4.122 1.00 63.33 C ATOM 260 C SER A 21 -10.452 10.989 -3.095 1.00 11.42 C ATOM 261 O SER A 21 -10.134 9.818 -2.897 1.00 34.31 O ATOM 262 CB SER A 21 -12.509 10.173 -4.282 1.00 12.43 C ATOM 263 OG SER A 21 -13.137 10.175 -5.561 1.00 32.11 O ATOM 0 H SER A 21 -11.122 11.038 -6.156 1.00 34.24 H new ATOM 0 HA SER A 21 -12.093 12.204 -3.770 1.00 63.33 H new ATOM 0 HB2 SER A 21 -11.977 9.232 -4.141 1.00 12.43 H new ATOM 0 HB3 SER A 21 -13.270 10.229 -3.504 1.00 12.43 H new ATOM 0 HG SER A 21 -13.752 9.415 -5.625 1.00 32.11 H new ATOM 269 N ALA A 22 -9.919 12.028 -2.468 1.00 63.41 N ATOM 270 CA ALA A 22 -8.882 11.845 -1.466 1.00 14.31 C ATOM 271 C ALA A 22 -9.474 11.127 -0.252 1.00 32.05 C ATOM 272 O ALA A 22 -8.981 10.075 0.153 1.00 1.44 O ATOM 273 CB ALA A 22 -8.278 13.203 -1.103 1.00 15.41 C ATOM 0 H ALA A 22 -10.186 12.998 -2.634 1.00 63.41 H new ATOM 0 HA ALA A 22 -8.076 11.224 -1.856 1.00 14.31 H new ATOM 0 HB1 ALA A 22 -7.500 13.066 -0.352 1.00 15.41 H new ATOM 0 HB2 ALA A 22 -7.846 13.659 -1.994 1.00 15.41 H new ATOM 0 HB3 ALA A 22 -9.057 13.853 -0.705 1.00 15.41 H new ATOM 279 N ALA A 23 -10.523 11.723 0.296 1.00 51.44 N ATOM 280 CA ALA A 23 -11.187 11.154 1.456 1.00 73.34 C ATOM 281 C ALA A 23 -11.540 9.692 1.170 1.00 44.54 C ATOM 282 O ALA A 23 -11.059 8.789 1.852 1.00 2.34 O ATOM 283 CB ALA A 23 -12.419 11.993 1.803 1.00 45.15 C ATOM 0 H ALA A 23 -10.930 12.595 -0.043 1.00 51.44 H new ATOM 0 HA ALA A 23 -10.526 11.171 2.323 1.00 73.34 H new ATOM 0 HB1 ALA A 23 -12.917 11.566 2.673 1.00 45.15 H new ATOM 0 HB2 ALA A 23 -12.112 13.015 2.026 1.00 45.15 H new ATOM 0 HB3 ALA A 23 -13.107 11.997 0.957 1.00 45.15 H new ATOM 289 N GLU A 24 -12.376 9.506 0.159 1.00 20.53 N ATOM 290 CA GLU A 24 -12.798 8.169 -0.225 1.00 52.44 C ATOM 291 C GLU A 24 -11.605 7.212 -0.213 1.00 31.41 C ATOM 292 O GLU A 24 -11.733 6.060 0.201 1.00 11.53 O ATOM 293 CB GLU A 24 -13.477 8.182 -1.597 1.00 4.34 C ATOM 294 CG GLU A 24 -14.821 8.910 -1.537 1.00 1.45 C ATOM 295 CD GLU A 24 -15.975 7.957 -1.853 1.00 13.24 C ATOM 296 OE1 GLU A 24 -16.435 7.900 -3.003 1.00 24.10 O ATOM 297 OE2 GLU A 24 -16.395 7.259 -0.853 1.00 21.44 O ATOM 0 H GLU A 24 -12.772 10.258 -0.405 1.00 20.53 H new ATOM 0 HA GLU A 24 -13.529 7.816 0.503 1.00 52.44 H new ATOM 0 HB2 GLU A 24 -12.827 8.670 -2.324 1.00 4.34 H new ATOM 0 HB3 GLU A 24 -13.629 7.159 -1.941 1.00 4.34 H new ATOM 0 HG2 GLU A 24 -14.961 9.341 -0.546 1.00 1.45 H new ATOM 0 HG3 GLU A 24 -14.823 9.737 -2.247 1.00 1.45 H new ATOM 305 N ALA A 25 -10.472 7.722 -0.672 1.00 11.42 N ATOM 306 CA ALA A 25 -9.257 6.927 -0.719 1.00 32.43 C ATOM 307 C ALA A 25 -8.961 6.373 0.677 1.00 73.14 C ATOM 308 O ALA A 25 -8.614 5.202 0.823 1.00 75.10 O ATOM 309 CB ALA A 25 -8.109 7.779 -1.263 1.00 72.23 C ATOM 0 H ALA A 25 -10.370 8.677 -1.015 1.00 11.42 H new ATOM 0 HA ALA A 25 -9.380 6.078 -1.392 1.00 32.43 H new ATOM 0 HB1 ALA A 25 -7.198 7.182 -1.298 1.00 72.23 H new ATOM 0 HB2 ALA A 25 -8.356 8.124 -2.267 1.00 72.23 H new ATOM 0 HB3 ALA A 25 -7.954 8.639 -0.612 1.00 72.23 H new ATOM 315 N TYR A 26 -9.109 7.241 1.666 1.00 10.24 N ATOM 316 CA TYR A 26 -8.862 6.854 3.045 1.00 61.31 C ATOM 317 C TYR A 26 -9.906 5.844 3.526 1.00 0.13 C ATOM 318 O TYR A 26 -9.586 4.928 4.282 1.00 33.03 O ATOM 319 CB TYR A 26 -8.989 8.134 3.872 1.00 10.51 C ATOM 320 CG TYR A 26 -10.215 8.165 4.787 1.00 2.11 C ATOM 321 CD1 TYR A 26 -10.335 7.246 5.810 1.00 15.41 C ATOM 322 CD2 TYR A 26 -11.200 9.111 4.590 1.00 42.42 C ATOM 323 CE1 TYR A 26 -11.489 7.275 6.671 1.00 12.34 C ATOM 324 CE2 TYR A 26 -12.353 9.140 5.451 1.00 15.20 C ATOM 325 CZ TYR A 26 -12.441 8.221 6.449 1.00 32.23 C ATOM 326 OH TYR A 26 -13.531 8.248 7.263 1.00 42.02 O ATOM 0 H TYR A 26 -9.397 8.211 1.540 1.00 10.24 H new ATOM 0 HA TYR A 26 -7.881 6.389 3.143 1.00 61.31 H new ATOM 0 HB2 TYR A 26 -8.092 8.252 4.480 1.00 10.51 H new ATOM 0 HB3 TYR A 26 -9.031 8.988 3.196 1.00 10.51 H new ATOM 0 HD1 TYR A 26 -9.564 6.506 5.965 1.00 15.41 H new ATOM 0 HD2 TYR A 26 -11.106 9.830 3.790 1.00 42.42 H new ATOM 0 HE1 TYR A 26 -11.596 6.562 7.475 1.00 12.34 H new ATOM 0 HE2 TYR A 26 -13.131 9.875 5.307 1.00 15.20 H new ATOM 0 HH TYR A 26 -14.127 8.976 6.988 1.00 42.02 H new ATOM 336 N ALA A 27 -11.133 6.046 3.069 1.00 62.05 N ATOM 337 CA ALA A 27 -12.226 5.165 3.443 1.00 23.30 C ATOM 338 C ALA A 27 -11.958 3.764 2.889 1.00 31.22 C ATOM 339 O ALA A 27 -11.609 2.853 3.638 1.00 31.42 O ATOM 340 CB ALA A 27 -13.547 5.748 2.940 1.00 55.05 C ATOM 0 H ALA A 27 -11.394 6.807 2.443 1.00 62.05 H new ATOM 0 HA ALA A 27 -12.299 5.083 4.527 1.00 23.30 H new ATOM 0 HB1 ALA A 27 -14.367 5.087 3.221 1.00 55.05 H new ATOM 0 HB2 ALA A 27 -13.704 6.730 3.385 1.00 55.05 H new ATOM 0 HB3 ALA A 27 -13.513 5.843 1.855 1.00 55.05 H new ATOM 346 N LYS A 28 -12.132 3.636 1.582 1.00 21.20 N ATOM 347 CA LYS A 28 -11.914 2.361 0.919 1.00 5.32 C ATOM 348 C LYS A 28 -10.683 1.682 1.523 1.00 63.22 C ATOM 349 O LYS A 28 -10.671 0.467 1.714 1.00 34.24 O ATOM 350 CB LYS A 28 -11.829 2.553 -0.596 1.00 41.13 C ATOM 351 CG LYS A 28 -11.220 1.323 -1.272 1.00 25.35 C ATOM 352 CD LYS A 28 -12.036 0.909 -2.497 1.00 74.03 C ATOM 353 CE LYS A 28 -11.300 -0.156 -3.313 1.00 34.14 C ATOM 354 NZ LYS A 28 -11.641 -0.037 -4.748 1.00 42.00 N ATOM 0 H LYS A 28 -12.421 4.394 0.964 1.00 21.20 H new ATOM 0 HA LYS A 28 -12.760 1.695 1.085 1.00 5.32 H new ATOM 0 HB2 LYS A 28 -12.825 2.738 -0.999 1.00 41.13 H new ATOM 0 HB3 LYS A 28 -11.225 3.432 -0.821 1.00 41.13 H new ATOM 0 HG2 LYS A 28 -10.194 1.538 -1.570 1.00 25.35 H new ATOM 0 HG3 LYS A 28 -11.179 0.497 -0.562 1.00 25.35 H new ATOM 0 HD2 LYS A 28 -13.005 0.524 -2.179 1.00 74.03 H new ATOM 0 HD3 LYS A 28 -12.229 1.781 -3.121 1.00 74.03 H new ATOM 0 HE2 LYS A 28 -10.224 -0.046 -3.179 1.00 34.14 H new ATOM 0 HE3 LYS A 28 -11.567 -1.149 -2.951 1.00 34.14 H new ATOM 0 HZ1 LYS A 28 -11.133 -0.767 -5.287 1.00 42.00 H new ATOM 0 HZ2 LYS A 28 -12.666 -0.164 -4.873 1.00 42.00 H new ATOM 0 HZ3 LYS A 28 -11.364 0.904 -5.094 1.00 42.00 H new ATOM 367 N ARG A 29 -9.676 2.496 1.806 1.00 72.54 N ATOM 368 CA ARG A 29 -8.443 1.988 2.384 1.00 53.14 C ATOM 369 C ARG A 29 -8.697 1.463 3.798 1.00 2.11 C ATOM 370 O ARG A 29 -8.285 0.354 4.135 1.00 14.14 O ATOM 371 CB ARG A 29 -7.370 3.078 2.436 1.00 34.40 C ATOM 372 CG ARG A 29 -6.263 2.709 3.425 1.00 44.01 C ATOM 373 CD ARG A 29 -4.884 3.048 2.855 1.00 2.30 C ATOM 374 NE ARG A 29 -4.007 3.569 3.928 1.00 61.43 N ATOM 375 CZ ARG A 29 -4.153 4.781 4.503 1.00 43.21 C ATOM 376 NH1 ARG A 29 -5.144 5.610 4.112 1.00 11.13 N ATOM 377 NH2 ARG A 29 -3.311 5.144 5.453 1.00 52.20 N ATOM 0 H ARG A 29 -9.689 3.503 1.646 1.00 72.54 H new ATOM 0 HA ARG A 29 -8.089 1.175 1.750 1.00 53.14 H new ATOM 0 HB2 ARG A 29 -6.943 3.221 1.443 1.00 34.40 H new ATOM 0 HB3 ARG A 29 -7.823 4.026 2.728 1.00 34.40 H new ATOM 0 HG2 ARG A 29 -6.415 3.244 4.362 1.00 44.01 H new ATOM 0 HG3 ARG A 29 -6.314 1.644 3.654 1.00 44.01 H new ATOM 0 HD2 ARG A 29 -4.438 2.160 2.408 1.00 2.30 H new ATOM 0 HD3 ARG A 29 -4.981 3.789 2.062 1.00 2.30 H new ATOM 0 HE ARG A 29 -3.245 2.974 4.253 1.00 61.43 H new ATOM 0 HH11 ARG A 29 -5.790 5.322 3.377 1.00 11.13 H new ATOM 0 HH12 ARG A 29 -5.247 6.524 4.552 1.00 11.13 H new ATOM 0 HH21 ARG A 29 -2.564 4.512 5.742 1.00 52.20 H new ATOM 0 HH22 ARG A 29 -3.407 6.057 5.898 1.00 52.20 H new ATOM 390 N ILE A 30 -9.373 2.285 4.588 1.00 61.34 N ATOM 391 CA ILE A 30 -9.686 1.917 5.958 1.00 51.10 C ATOM 392 C ILE A 30 -10.070 0.437 6.009 1.00 33.03 C ATOM 393 O ILE A 30 -9.492 -0.332 6.776 1.00 52.12 O ATOM 394 CB ILE A 30 -10.754 2.850 6.532 1.00 33.12 C ATOM 395 CG1 ILE A 30 -10.208 4.269 6.705 1.00 61.33 C ATOM 396 CG2 ILE A 30 -11.324 2.293 7.838 1.00 33.41 C ATOM 397 CD1 ILE A 30 -10.251 4.698 8.172 1.00 14.35 C ATOM 0 H ILE A 30 -9.712 3.204 4.305 1.00 61.34 H new ATOM 0 HA ILE A 30 -8.811 2.041 6.596 1.00 51.10 H new ATOM 0 HB ILE A 30 -11.577 2.906 5.819 1.00 33.12 H new ATOM 0 HG12 ILE A 30 -9.182 4.315 6.339 1.00 61.33 H new ATOM 0 HG13 ILE A 30 -10.793 4.964 6.102 1.00 61.33 H new ATOM 0 HG21 ILE A 30 -12.081 2.975 8.225 1.00 33.41 H new ATOM 0 HG22 ILE A 30 -11.775 1.318 7.652 1.00 33.41 H new ATOM 0 HG23 ILE A 30 -10.523 2.188 8.569 1.00 33.41 H new ATOM 0 HD11 ILE A 30 -9.857 5.710 8.267 1.00 14.35 H new ATOM 0 HD12 ILE A 30 -11.281 4.674 8.528 1.00 14.35 H new ATOM 0 HD13 ILE A 30 -9.645 4.016 8.768 1.00 14.35 H new ATOM 409 N ALA A 31 -11.044 0.082 5.183 1.00 5.22 N ATOM 410 CA ALA A 31 -11.512 -1.292 5.125 1.00 62.12 C ATOM 411 C ALA A 31 -10.308 -2.234 5.049 1.00 11.41 C ATOM 412 O ALA A 31 -10.199 -3.172 5.837 1.00 71.02 O ATOM 413 CB ALA A 31 -12.458 -1.459 3.934 1.00 12.13 C ATOM 0 H ALA A 31 -11.521 0.722 4.549 1.00 5.22 H new ATOM 0 HA ALA A 31 -12.072 -1.545 6.025 1.00 62.12 H new ATOM 0 HB1 ALA A 31 -12.809 -2.490 3.890 1.00 12.13 H new ATOM 0 HB2 ALA A 31 -13.310 -0.790 4.050 1.00 12.13 H new ATOM 0 HB3 ALA A 31 -11.929 -1.217 3.012 1.00 12.13 H new ATOM 419 N GLU A 32 -9.435 -1.950 4.094 1.00 62.20 N ATOM 420 CA GLU A 32 -8.243 -2.760 3.905 1.00 32.01 C ATOM 421 C GLU A 32 -7.526 -2.968 5.240 1.00 21.45 C ATOM 422 O GLU A 32 -7.303 -4.103 5.659 1.00 34.40 O ATOM 423 CB GLU A 32 -7.308 -2.127 2.873 1.00 3.34 C ATOM 424 CG GLU A 32 -8.032 -1.896 1.545 1.00 2.25 C ATOM 425 CD GLU A 32 -7.139 -2.273 0.361 1.00 34.44 C ATOM 426 OE1 GLU A 32 -6.822 -3.458 0.177 1.00 13.11 O ATOM 427 OE2 GLU A 32 -6.774 -1.285 -0.383 1.00 22.13 O ATOM 0 H GLU A 32 -9.529 -1.171 3.443 1.00 62.20 H new ATOM 0 HA GLU A 32 -8.546 -3.734 3.522 1.00 32.01 H new ATOM 0 HB2 GLU A 32 -6.929 -1.179 3.254 1.00 3.34 H new ATOM 0 HB3 GLU A 32 -6.446 -2.774 2.713 1.00 3.34 H new ATOM 0 HG2 GLU A 32 -8.947 -2.488 1.518 1.00 2.25 H new ATOM 0 HG3 GLU A 32 -8.326 -0.850 1.464 1.00 2.25 H new ATOM 435 N ALA A 33 -7.184 -1.855 5.872 1.00 30.22 N ATOM 436 CA ALA A 33 -6.497 -1.902 7.151 1.00 4.45 C ATOM 437 C ALA A 33 -7.274 -2.805 8.111 1.00 40.02 C ATOM 438 O ALA A 33 -6.717 -3.748 8.670 1.00 64.21 O ATOM 439 CB ALA A 33 -6.331 -0.481 7.694 1.00 1.40 C ATOM 0 H ALA A 33 -7.370 -0.915 5.522 1.00 30.22 H new ATOM 0 HA ALA A 33 -5.500 -2.326 7.035 1.00 4.45 H new ATOM 0 HB1 ALA A 33 -5.816 -0.516 8.654 1.00 1.40 H new ATOM 0 HB2 ALA A 33 -5.747 0.112 6.990 1.00 1.40 H new ATOM 0 HB3 ALA A 33 -7.312 -0.025 7.826 1.00 1.40 H new ATOM 445 N MET A 34 -8.549 -2.485 8.272 1.00 54.41 N ATOM 446 CA MET A 34 -9.409 -3.256 9.154 1.00 11.50 C ATOM 447 C MET A 34 -9.536 -4.702 8.670 1.00 4.52 C ATOM 448 O MET A 34 -10.033 -5.561 9.396 1.00 62.43 O ATOM 449 CB MET A 34 -10.796 -2.611 9.207 1.00 62.43 C ATOM 450 CG MET A 34 -10.745 -1.259 9.920 1.00 53.31 C ATOM 451 SD MET A 34 -10.582 -1.503 11.681 1.00 55.44 S ATOM 452 CE MET A 34 -9.470 -0.164 12.077 1.00 14.05 C ATOM 0 H MET A 34 -9.008 -1.702 7.807 1.00 54.41 H new ATOM 0 HA MET A 34 -8.964 -3.264 10.149 1.00 11.50 H new ATOM 0 HB2 MET A 34 -11.178 -2.478 8.195 1.00 62.43 H new ATOM 0 HB3 MET A 34 -11.489 -3.273 9.725 1.00 62.43 H new ATOM 0 HG2 MET A 34 -9.905 -0.673 9.546 1.00 53.31 H new ATOM 0 HG3 MET A 34 -11.650 -0.691 9.705 1.00 53.31 H new ATOM 0 HE1 MET A 34 -9.261 -0.169 13.147 1.00 14.05 H new ATOM 0 HE2 MET A 34 -8.539 -0.289 11.524 1.00 14.05 H new ATOM 0 HE3 MET A 34 -9.931 0.785 11.802 1.00 14.05 H new ATOM 462 N ALA A 35 -9.077 -4.925 7.447 1.00 12.13 N ATOM 463 CA ALA A 35 -9.133 -6.252 6.858 1.00 1.00 C ATOM 464 C ALA A 35 -7.899 -7.048 7.287 1.00 21.14 C ATOM 465 O ALA A 35 -6.772 -6.575 7.151 1.00 1.53 O ATOM 466 CB ALA A 35 -9.249 -6.131 5.337 1.00 5.12 C ATOM 0 H ALA A 35 -8.665 -4.209 6.848 1.00 12.13 H new ATOM 0 HA ALA A 35 -10.012 -6.791 7.210 1.00 1.00 H new ATOM 0 HB1 ALA A 35 -9.291 -7.126 4.895 1.00 5.12 H new ATOM 0 HB2 ALA A 35 -10.157 -5.583 5.084 1.00 5.12 H new ATOM 0 HB3 ALA A 35 -8.382 -5.597 4.947 1.00 5.12 H new ATOM 472 N LYS A 36 -8.154 -8.244 7.797 1.00 22.13 N ATOM 473 CA LYS A 36 -7.078 -9.111 8.247 1.00 3.45 C ATOM 474 C LYS A 36 -6.407 -8.488 9.473 1.00 25.04 C ATOM 475 O LYS A 36 -5.182 -8.506 9.591 1.00 13.04 O ATOM 476 CB LYS A 36 -6.110 -9.404 7.099 1.00 31.02 C ATOM 477 CG LYS A 36 -6.807 -10.180 5.980 1.00 60.12 C ATOM 478 CD LYS A 36 -5.787 -10.769 5.003 1.00 3.52 C ATOM 479 CE LYS A 36 -6.337 -12.026 4.327 1.00 41.21 C ATOM 480 NZ LYS A 36 -5.293 -12.667 3.497 1.00 24.22 N ATOM 0 H LYS A 36 -9.090 -8.633 7.909 1.00 22.13 H new ATOM 0 HA LYS A 36 -7.472 -10.079 8.555 1.00 3.45 H new ATOM 0 HB2 LYS A 36 -5.713 -8.468 6.705 1.00 31.02 H new ATOM 0 HB3 LYS A 36 -5.262 -9.978 7.471 1.00 31.02 H new ATOM 0 HG2 LYS A 36 -7.410 -10.981 6.409 1.00 60.12 H new ATOM 0 HG3 LYS A 36 -7.489 -9.519 5.445 1.00 60.12 H new ATOM 0 HD2 LYS A 36 -5.532 -10.027 4.246 1.00 3.52 H new ATOM 0 HD3 LYS A 36 -4.867 -11.011 5.535 1.00 3.52 H new ATOM 0 HE2 LYS A 36 -6.691 -12.727 5.083 1.00 41.21 H new ATOM 0 HE3 LYS A 36 -7.195 -11.767 3.707 1.00 41.21 H new ATOM 0 HZ1 LYS A 36 -5.683 -13.519 3.045 1.00 24.22 H new ATOM 0 HZ2 LYS A 36 -4.975 -12.001 2.764 1.00 24.22 H new ATOM 0 HZ3 LYS A 36 -4.486 -12.932 4.097 1.00 24.22 H new ATOM 493 N GLY A 37 -7.238 -7.952 10.355 1.00 24.11 N ATOM 494 CA GLY A 37 -6.740 -7.325 11.568 1.00 61.22 C ATOM 495 C GLY A 37 -6.010 -6.018 11.250 1.00 73.43 C ATOM 496 O GLY A 37 -5.816 -5.182 12.130 1.00 15.50 O ATOM 0 H GLY A 37 -8.253 -7.939 10.254 1.00 24.11 H new ATOM 0 HA2 GLY A 37 -7.570 -7.126 12.246 1.00 61.22 H new ATOM 0 HA3 GLY A 37 -6.064 -8.007 12.083 1.00 61.22 H new TER 500 GLY A 37