USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot 83:sc= 1.84 USER MOD Set 1.2: A 10 THR OG1 : rot -67:sc= 1.24 USER MOD Single : A 1 ARG N :NH3+ -153:sc= -0.0445 (180deg=-0.343) 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=-0.00267 X(o=-0.0027,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 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 178:sc= 0 (180deg=-0.00566) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -0.563 -5.831 -11.734 1.00 31.20 N ATOM 2 CA ARG A 1 -1.679 -6.072 -10.835 1.00 60.11 C ATOM 3 C ARG A 1 -2.679 -4.916 -10.909 1.00 21.35 C ATOM 4 O ARG A 1 -2.350 -3.783 -10.560 1.00 71.44 O ATOM 5 CB ARG A 1 -1.199 -6.231 -9.391 1.00 43.11 C ATOM 6 CG ARG A 1 -0.385 -7.516 -9.222 1.00 50.51 C ATOM 7 CD ARG A 1 -1.182 -8.572 -8.454 1.00 4.03 C ATOM 8 NE ARG A 1 -0.342 -9.164 -7.389 1.00 5.34 N ATOM 9 CZ ARG A 1 -0.103 -8.574 -6.198 1.00 22.43 C ATOM 10 NH1 ARG A 1 -0.640 -7.370 -5.910 1.00 2.24 N ATOM 11 NH2 ARG A 1 0.664 -9.194 -5.319 1.00 54.44 N ATOM 0 H1 ARG A 1 -0.154 -6.740 -12.031 1.00 31.20 H new ATOM 0 H2 ARG A 1 -0.897 -5.312 -12.571 1.00 31.20 H new ATOM 0 H3 ARG A 1 0.162 -5.268 -11.244 1.00 31.20 H new ATOM 0 HA ARG A 1 -2.164 -6.997 -11.148 1.00 60.11 H new ATOM 0 HB2 ARG A 1 -0.591 -5.371 -9.109 1.00 43.11 H new ATOM 0 HB3 ARG A 1 -2.057 -6.249 -8.719 1.00 43.11 H new ATOM 0 HG2 ARG A 1 -0.107 -7.906 -10.201 1.00 50.51 H new ATOM 0 HG3 ARG A 1 0.541 -7.297 -8.691 1.00 50.51 H new ATOM 0 HD2 ARG A 1 -2.073 -8.121 -8.017 1.00 4.03 H new ATOM 0 HD3 ARG A 1 -1.521 -9.351 -9.137 1.00 4.03 H new ATOM 0 HE ARG A 1 0.083 -10.074 -7.566 1.00 5.34 H new ATOM 0 HH11 ARG A 1 -1.232 -6.899 -6.594 1.00 2.24 H new ATOM 0 HH12 ARG A 1 -0.454 -6.931 -5.008 1.00 2.24 H new ATOM 0 HH21 ARG A 1 1.065 -10.104 -5.545 1.00 54.44 H new ATOM 0 HH22 ARG A 1 0.855 -8.763 -4.415 1.00 54.44 H new ATOM 24 N GLY A 2 -3.880 -5.243 -11.364 1.00 5.32 N ATOM 25 CA GLY A 2 -4.930 -4.246 -11.487 1.00 45.13 C ATOM 26 C GLY A 2 -5.065 -3.769 -12.935 1.00 1.33 C ATOM 27 O GLY A 2 -5.998 -4.158 -13.636 1.00 2.23 O ATOM 0 H GLY A 2 -4.149 -6.184 -11.652 1.00 5.32 H new ATOM 0 HA2 GLY A 2 -5.877 -4.666 -11.149 1.00 45.13 H new ATOM 0 HA3 GLY A 2 -4.709 -3.397 -10.840 1.00 45.13 H new ATOM 31 N LYS A 3 -4.120 -2.933 -13.339 1.00 52.44 N ATOM 32 CA LYS A 3 -4.122 -2.398 -14.691 1.00 33.24 C ATOM 33 C LYS A 3 -3.890 -3.537 -15.685 1.00 73.33 C ATOM 34 O LYS A 3 -2.775 -4.042 -15.807 1.00 73.23 O ATOM 35 CB LYS A 3 -3.112 -1.256 -14.817 1.00 22.33 C ATOM 36 CG LYS A 3 -3.708 0.061 -14.318 1.00 15.42 C ATOM 37 CD LYS A 3 -3.012 0.529 -13.038 1.00 72.21 C ATOM 38 CE LYS A 3 -2.736 2.033 -13.082 1.00 61.04 C ATOM 39 NZ LYS A 3 -3.445 2.723 -11.982 1.00 31.24 N ATOM 0 H LYS A 3 -3.348 -2.613 -12.755 1.00 52.44 H new ATOM 0 HA LYS A 3 -5.092 -1.961 -14.927 1.00 33.24 H new ATOM 0 HB2 LYS A 3 -2.216 -1.494 -14.244 1.00 22.33 H new ATOM 0 HB3 LYS A 3 -2.806 -1.150 -15.858 1.00 22.33 H new ATOM 0 HG2 LYS A 3 -3.609 0.824 -15.090 1.00 15.42 H new ATOM 0 HG3 LYS A 3 -4.774 -0.066 -14.131 1.00 15.42 H new ATOM 0 HD2 LYS A 3 -3.635 0.295 -12.175 1.00 72.21 H new ATOM 0 HD3 LYS A 3 -2.075 -0.013 -12.911 1.00 72.21 H new ATOM 0 HE2 LYS A 3 -1.664 2.214 -13.002 1.00 61.04 H new ATOM 0 HE3 LYS A 3 -3.057 2.440 -14.041 1.00 61.04 H new ATOM 0 HZ1 LYS A 3 -3.247 3.743 -12.027 1.00 31.24 H new ATOM 0 HZ2 LYS A 3 -4.469 2.565 -12.076 1.00 31.24 H new ATOM 0 HZ3 LYS A 3 -3.119 2.347 -11.069 1.00 31.24 H new ATOM 52 N TRP A 4 -4.961 -3.909 -16.371 1.00 14.21 N ATOM 53 CA TRP A 4 -4.889 -4.979 -17.351 1.00 65.01 C ATOM 54 C TRP A 4 -3.792 -4.625 -18.357 1.00 42.44 C ATOM 55 O TRP A 4 -4.054 -3.961 -19.359 1.00 55.11 O ATOM 56 CB TRP A 4 -6.250 -5.214 -18.008 1.00 41.15 C ATOM 57 CG TRP A 4 -6.668 -6.685 -18.065 1.00 51.52 C ATOM 58 CD1 TRP A 4 -7.899 -7.198 -17.934 1.00 1.11 C ATOM 59 CD2 TRP A 4 -5.800 -7.818 -18.275 1.00 4.00 C ATOM 60 NE1 TRP A 4 -7.887 -8.574 -18.043 1.00 54.32 N ATOM 61 CE2 TRP A 4 -6.570 -8.963 -18.257 1.00 52.43 C ATOM 62 CE3 TRP A 4 -4.409 -7.874 -18.473 1.00 62.03 C ATOM 63 CZ2 TRP A 4 -6.040 -10.246 -18.432 1.00 21.54 C ATOM 64 CZ3 TRP A 4 -3.894 -9.165 -18.646 1.00 12.40 C ATOM 65 CH2 TRP A 4 -4.657 -10.327 -18.631 1.00 5.23 C ATOM 0 H TRP A 4 -5.884 -3.488 -16.267 1.00 14.21 H new ATOM 0 HA TRP A 4 -4.631 -5.924 -16.872 1.00 65.01 H new ATOM 0 HB2 TRP A 4 -7.008 -4.653 -17.461 1.00 41.15 H new ATOM 0 HB3 TRP A 4 -6.227 -4.814 -19.022 1.00 41.15 H new ATOM 0 HD1 TRP A 4 -8.788 -6.609 -17.765 1.00 1.11 H new ATOM 0 HE1 TRP A 4 -8.696 -9.192 -17.978 1.00 54.32 H new ATOM 0 HE3 TRP A 4 -3.787 -6.991 -18.490 1.00 62.03 H new ATOM 0 HZ2 TRP A 4 -6.665 -11.127 -18.414 1.00 21.54 H new ATOM 0 HZ3 TRP A 4 -2.830 -9.265 -18.802 1.00 12.40 H new ATOM 0 HH2 TRP A 4 -4.185 -11.288 -18.772 1.00 5.23 H new ATOM 76 N THR A 5 -2.586 -5.083 -18.056 1.00 21.21 N ATOM 77 CA THR A 5 -1.448 -4.823 -18.922 1.00 13.14 C ATOM 78 C THR A 5 -0.812 -6.138 -19.376 1.00 52.01 C ATOM 79 O THR A 5 -0.604 -7.043 -18.569 1.00 54.32 O ATOM 80 CB THR A 5 -0.480 -3.908 -18.168 1.00 74.32 C ATOM 81 OG1 THR A 5 -1.270 -2.772 -17.827 1.00 74.43 O ATOM 82 CG2 THR A 5 0.615 -3.342 -19.074 1.00 21.01 C ATOM 0 H THR A 5 -2.372 -5.633 -17.224 1.00 21.21 H new ATOM 0 HA THR A 5 -1.754 -4.314 -19.836 1.00 13.14 H new ATOM 0 HB THR A 5 -0.023 -4.461 -17.347 1.00 74.32 H new ATOM 0 HG1 THR A 5 -1.776 -2.959 -17.009 1.00 74.43 H new ATOM 0 HG21 THR A 5 1.274 -2.700 -18.490 1.00 21.01 H new ATOM 0 HG22 THR A 5 1.192 -4.161 -19.502 1.00 21.01 H new ATOM 0 HG23 THR A 5 0.160 -2.761 -19.876 1.00 21.01 H new ATOM 90 N TYR A 6 -0.521 -6.202 -20.667 1.00 61.20 N ATOM 91 CA TYR A 6 0.087 -7.392 -21.239 1.00 2.42 C ATOM 92 C TYR A 6 1.290 -7.027 -22.111 1.00 24.02 C ATOM 93 O TYR A 6 1.258 -7.210 -23.327 1.00 3.52 O ATOM 94 CB TYR A 6 -0.988 -8.034 -22.117 1.00 70.31 C ATOM 95 CG TYR A 6 -0.462 -9.135 -23.040 1.00 24.54 C ATOM 96 CD1 TYR A 6 0.169 -10.241 -22.505 1.00 54.21 C ATOM 97 CD2 TYR A 6 -0.617 -9.023 -24.406 1.00 60.55 C ATOM 98 CE1 TYR A 6 0.664 -11.277 -23.373 1.00 61.24 C ATOM 99 CE2 TYR A 6 -0.121 -10.060 -25.275 1.00 15.12 C ATOM 100 CZ TYR A 6 0.495 -11.136 -24.715 1.00 53.44 C ATOM 101 OH TYR A 6 0.963 -12.114 -25.535 1.00 74.44 O ATOM 0 H TYR A 6 -0.695 -5.449 -21.333 1.00 61.20 H new ATOM 0 HA TYR A 6 0.438 -8.060 -20.452 1.00 2.42 H new ATOM 0 HB2 TYR A 6 -1.764 -8.452 -21.476 1.00 70.31 H new ATOM 0 HB3 TYR A 6 -1.458 -7.259 -22.723 1.00 70.31 H new ATOM 0 HD1 TYR A 6 0.291 -10.328 -21.435 1.00 54.21 H new ATOM 0 HD2 TYR A 6 -1.110 -8.158 -24.824 1.00 60.55 H new ATOM 0 HE1 TYR A 6 1.159 -12.147 -22.967 1.00 61.24 H new ATOM 0 HE2 TYR A 6 -0.236 -9.985 -26.346 1.00 15.12 H new ATOM 0 HH TYR A 6 0.771 -11.879 -26.467 1.00 74.44 H new ATOM 111 N ASN A 7 2.323 -6.518 -21.455 1.00 64.34 N ATOM 112 CA ASN A 7 3.535 -6.127 -22.156 1.00 13.53 C ATOM 113 C ASN A 7 3.159 -5.379 -23.437 1.00 10.14 C ATOM 114 O ASN A 7 3.599 -5.745 -24.525 1.00 71.43 O ATOM 115 CB ASN A 7 4.364 -7.351 -22.549 1.00 0.42 C ATOM 116 CG ASN A 7 4.593 -8.267 -21.345 1.00 61.23 C ATOM 117 OD1 ASN A 7 5.267 -7.922 -20.389 1.00 12.15 O ATOM 118 ND2 ASN A 7 3.997 -9.452 -21.446 1.00 54.42 N ATOM 0 H ASN A 7 2.346 -6.367 -20.446 1.00 64.34 H new ATOM 0 HA ASN A 7 4.121 -5.494 -21.489 1.00 13.53 H new ATOM 0 HB2 ASN A 7 3.853 -7.903 -23.338 1.00 0.42 H new ATOM 0 HB3 ASN A 7 5.324 -7.030 -22.954 1.00 0.42 H new ATOM 0 HD21 ASN A 7 4.090 -10.136 -20.695 1.00 54.42 H new ATOM 0 HD22 ASN A 7 3.447 -9.677 -22.275 1.00 54.42 H new ATOM 125 N GLY A 8 2.349 -4.344 -23.264 1.00 63.51 N ATOM 126 CA GLY A 8 1.909 -3.542 -24.393 1.00 24.12 C ATOM 127 C GLY A 8 0.995 -2.405 -23.934 1.00 15.13 C ATOM 128 O GLY A 8 1.388 -1.582 -23.108 1.00 54.02 O ATOM 0 H GLY A 8 1.986 -4.043 -22.359 1.00 63.51 H new ATOM 0 HA2 GLY A 8 2.775 -3.131 -24.911 1.00 24.12 H new ATOM 0 HA3 GLY A 8 1.380 -4.173 -25.108 1.00 24.12 H new ATOM 132 N ILE A 9 -0.209 -2.395 -24.489 1.00 25.23 N ATOM 133 CA ILE A 9 -1.182 -1.373 -24.146 1.00 54.45 C ATOM 134 C ILE A 9 -2.198 -1.952 -23.159 1.00 50.45 C ATOM 135 O ILE A 9 -2.701 -3.057 -23.357 1.00 41.53 O ATOM 136 CB ILE A 9 -1.817 -0.792 -25.412 1.00 3.00 C ATOM 137 CG1 ILE A 9 -2.582 -1.868 -26.185 1.00 64.13 C ATOM 138 CG2 ILE A 9 -0.767 -0.097 -26.282 1.00 73.52 C ATOM 139 CD1 ILE A 9 -4.089 -1.615 -26.131 1.00 55.44 C ATOM 0 H ILE A 9 -0.532 -3.079 -25.174 1.00 25.23 H new ATOM 0 HA ILE A 9 -0.695 -0.535 -23.647 1.00 54.45 H new ATOM 0 HB ILE A 9 -2.541 -0.034 -25.115 1.00 3.00 H new ATOM 0 HG12 ILE A 9 -2.249 -1.881 -27.223 1.00 64.13 H new ATOM 0 HG13 ILE A 9 -2.359 -2.849 -25.766 1.00 64.13 H new ATOM 0 HG21 ILE A 9 -1.244 0.307 -27.175 1.00 73.52 H new ATOM 0 HG22 ILE A 9 -0.306 0.714 -25.718 1.00 73.52 H new ATOM 0 HG23 ILE A 9 -0.002 -0.817 -26.573 1.00 73.52 H new ATOM 0 HD11 ILE A 9 -4.609 -2.394 -26.688 1.00 55.44 H new ATOM 0 HD12 ILE A 9 -4.423 -1.627 -25.093 1.00 55.44 H new ATOM 0 HD13 ILE A 9 -4.311 -0.644 -26.573 1.00 55.44 H new ATOM 151 N THR A 10 -2.470 -1.179 -22.118 1.00 25.22 N ATOM 152 CA THR A 10 -3.416 -1.601 -21.100 1.00 31.55 C ATOM 153 C THR A 10 -4.822 -1.713 -21.692 1.00 13.21 C ATOM 154 O THR A 10 -5.164 -0.993 -22.629 1.00 1.32 O ATOM 155 CB THR A 10 -3.325 -0.617 -19.932 1.00 21.01 C ATOM 156 OG1 THR A 10 -2.013 -0.816 -19.412 1.00 34.25 O ATOM 157 CG2 THR A 10 -4.248 -0.997 -18.772 1.00 64.10 C ATOM 0 H THR A 10 -2.052 -0.263 -21.958 1.00 25.22 H new ATOM 0 HA THR A 10 -3.175 -2.596 -20.725 1.00 31.55 H new ATOM 0 HB THR A 10 -3.576 0.385 -20.281 1.00 21.01 H new ATOM 0 HG1 THR A 10 -1.952 -1.708 -19.010 1.00 34.25 H new ATOM 0 HG21 THR A 10 -4.144 -0.266 -17.970 1.00 64.10 H new ATOM 0 HG22 THR A 10 -5.281 -1.011 -19.119 1.00 64.10 H new ATOM 0 HG23 THR A 10 -3.977 -1.985 -18.400 1.00 64.10 H new ATOM 165 N TYR A 11 -5.600 -2.621 -21.121 1.00 60.01 N ATOM 166 CA TYR A 11 -6.961 -2.836 -21.581 1.00 74.00 C ATOM 167 C TYR A 11 -7.974 -2.407 -20.517 1.00 42.52 C ATOM 168 O TYR A 11 -8.438 -3.229 -19.729 1.00 51.11 O ATOM 169 CB TYR A 11 -7.094 -4.342 -21.816 1.00 13.01 C ATOM 170 CG TYR A 11 -6.146 -4.891 -22.883 1.00 60.34 C ATOM 171 CD1 TYR A 11 -5.463 -4.024 -23.712 1.00 21.33 C ATOM 172 CD2 TYR A 11 -5.974 -6.254 -23.018 1.00 64.10 C ATOM 173 CE1 TYR A 11 -4.570 -4.541 -24.716 1.00 73.45 C ATOM 174 CE2 TYR A 11 -5.081 -6.771 -24.023 1.00 20.22 C ATOM 175 CZ TYR A 11 -4.423 -5.889 -24.822 1.00 75.34 C ATOM 176 OH TYR A 11 -3.580 -6.378 -25.771 1.00 55.44 O ATOM 0 H TYR A 11 -5.313 -3.216 -20.344 1.00 60.01 H new ATOM 0 HA TYR A 11 -7.158 -2.253 -22.481 1.00 74.00 H new ATOM 0 HB2 TYR A 11 -6.909 -4.864 -20.877 1.00 13.01 H new ATOM 0 HB3 TYR A 11 -8.120 -4.565 -22.107 1.00 13.01 H new ATOM 0 HD1 TYR A 11 -5.599 -2.958 -23.607 1.00 21.33 H new ATOM 0 HD2 TYR A 11 -6.509 -6.933 -22.370 1.00 64.10 H new ATOM 0 HE1 TYR A 11 -4.029 -3.873 -25.370 1.00 73.45 H new ATOM 0 HE2 TYR A 11 -4.937 -7.835 -24.139 1.00 20.22 H new ATOM 0 HH TYR A 11 -3.574 -7.357 -25.730 1.00 55.44 H new ATOM 186 N GLU A 12 -8.286 -1.119 -20.529 1.00 32.00 N ATOM 187 CA GLU A 12 -9.235 -0.570 -19.575 1.00 20.40 C ATOM 188 C GLU A 12 -10.635 -1.129 -19.837 1.00 62.52 C ATOM 189 O GLU A 12 -11.460 -1.199 -18.927 1.00 41.25 O ATOM 190 CB GLU A 12 -9.238 0.959 -19.622 1.00 63.20 C ATOM 191 CG GLU A 12 -9.247 1.551 -18.211 1.00 74.22 C ATOM 192 CD GLU A 12 -8.998 3.060 -18.248 1.00 54.02 C ATOM 193 OE1 GLU A 12 -7.969 3.506 -18.776 1.00 24.30 O ATOM 194 OE2 GLU A 12 -9.921 3.778 -17.704 1.00 54.42 O ATOM 0 H GLU A 12 -7.898 -0.440 -21.184 1.00 32.00 H new ATOM 0 HA GLU A 12 -8.927 -0.869 -18.573 1.00 20.40 H new ATOM 0 HB2 GLU A 12 -8.360 1.311 -20.163 1.00 63.20 H new ATOM 0 HB3 GLU A 12 -10.112 1.308 -20.172 1.00 63.20 H new ATOM 0 HG2 GLU A 12 -10.206 1.349 -17.734 1.00 74.22 H new ATOM 0 HG3 GLU A 12 -8.481 1.067 -17.605 1.00 74.22 H new ATOM 202 N GLY A 13 -10.860 -1.514 -21.085 1.00 24.11 N ATOM 203 CA GLY A 13 -12.145 -2.065 -21.478 1.00 54.12 C ATOM 204 C GLY A 13 -13.277 -1.076 -21.191 1.00 43.42 C ATOM 205 O GLY A 13 -13.565 -0.776 -20.034 1.00 0.43 O ATOM 0 H GLY A 13 -10.173 -1.455 -21.837 1.00 24.11 H new ATOM 0 HA2 GLY A 13 -12.131 -2.308 -22.540 1.00 54.12 H new ATOM 0 HA3 GLY A 13 -12.325 -2.996 -20.940 1.00 54.12 H new ATOM 209 N GLY A 14 -13.887 -0.596 -22.265 1.00 20.00 N ATOM 210 CA GLY A 14 -14.980 0.353 -22.143 1.00 53.30 C ATOM 211 C GLY A 14 -14.511 1.774 -22.461 1.00 4.43 C ATOM 212 O GLY A 14 -13.857 2.003 -23.477 1.00 54.44 O ATOM 0 H GLY A 14 -13.645 -0.847 -23.224 1.00 20.00 H new ATOM 0 HA2 GLY A 14 -15.787 0.073 -22.820 1.00 53.30 H new ATOM 0 HA3 GLY A 14 -15.386 0.318 -21.132 1.00 53.30 H new ATOM 216 N GLY A 15 -14.862 2.692 -21.572 1.00 24.13 N ATOM 217 CA GLY A 15 -14.484 4.084 -21.745 1.00 12.45 C ATOM 218 C GLY A 15 -14.375 4.795 -20.394 1.00 24.53 C ATOM 219 O GLY A 15 -13.285 5.190 -19.983 1.00 42.41 O ATOM 0 H GLY A 15 -15.404 2.499 -20.730 1.00 24.13 H new ATOM 0 HA2 GLY A 15 -13.530 4.143 -22.269 1.00 12.45 H new ATOM 0 HA3 GLY A 15 -15.222 4.590 -22.368 1.00 12.45 H new ATOM 223 N GLY A 16 -15.519 4.934 -19.740 1.00 45.11 N ATOM 224 CA GLY A 16 -15.565 5.590 -18.444 1.00 61.41 C ATOM 225 C GLY A 16 -14.391 5.152 -17.566 1.00 21.31 C ATOM 226 O GLY A 16 -13.845 4.065 -17.750 1.00 30.02 O ATOM 0 H GLY A 16 -16.421 4.604 -20.083 1.00 45.11 H new ATOM 0 HA2 GLY A 16 -15.539 6.671 -18.579 1.00 61.41 H new ATOM 0 HA3 GLY A 16 -16.505 5.353 -17.946 1.00 61.41 H new ATOM 230 N GLY A 17 -14.037 6.020 -16.630 1.00 52.41 N ATOM 231 CA GLY A 17 -12.938 5.737 -15.723 1.00 11.01 C ATOM 232 C GLY A 17 -12.056 6.972 -15.528 1.00 64.31 C ATOM 233 O GLY A 17 -12.086 7.895 -16.340 1.00 11.20 O ATOM 0 H GLY A 17 -14.492 6.920 -16.480 1.00 52.41 H new ATOM 0 HA2 GLY A 17 -13.331 5.411 -14.760 1.00 11.01 H new ATOM 0 HA3 GLY A 17 -12.339 4.916 -16.117 1.00 11.01 H new ATOM 237 N GLY A 18 -11.290 6.948 -14.447 1.00 32.11 N ATOM 238 CA GLY A 18 -10.401 8.054 -14.135 1.00 62.12 C ATOM 239 C GLY A 18 -11.187 9.262 -13.622 1.00 51.14 C ATOM 240 O GLY A 18 -12.210 9.630 -14.197 1.00 15.52 O ATOM 0 H GLY A 18 -11.267 6.180 -13.776 1.00 32.11 H new ATOM 0 HA2 GLY A 18 -9.676 7.742 -13.383 1.00 62.12 H new ATOM 0 HA3 GLY A 18 -9.837 8.334 -15.025 1.00 62.12 H new ATOM 244 N GLY A 19 -10.679 9.845 -12.547 1.00 2.41 N ATOM 245 CA GLY A 19 -11.321 11.004 -11.950 1.00 42.42 C ATOM 246 C GLY A 19 -10.789 11.260 -10.539 1.00 24.14 C ATOM 247 O GLY A 19 -10.134 12.272 -10.292 1.00 33.22 O ATOM 0 H GLY A 19 -9.830 9.537 -12.073 1.00 2.41 H new ATOM 0 HA2 GLY A 19 -11.147 11.881 -12.573 1.00 42.42 H new ATOM 0 HA3 GLY A 19 -12.399 10.848 -11.913 1.00 42.42 H new ATOM 251 N GLY A 20 -11.089 10.325 -9.649 1.00 52.12 N ATOM 252 CA GLY A 20 -10.649 10.436 -8.269 1.00 13.32 C ATOM 253 C GLY A 20 -9.876 9.189 -7.838 1.00 21.54 C ATOM 254 O GLY A 20 -9.318 8.480 -8.674 1.00 22.12 O ATOM 0 H GLY A 20 -11.632 9.487 -9.857 1.00 52.12 H new ATOM 0 HA2 GLY A 20 -10.018 11.317 -8.155 1.00 13.32 H new ATOM 0 HA3 GLY A 20 -11.512 10.576 -7.618 1.00 13.32 H new ATOM 258 N SER A 21 -9.868 8.958 -6.533 1.00 24.01 N ATOM 259 CA SER A 21 -9.172 7.808 -5.981 1.00 1.15 C ATOM 260 C SER A 21 -10.156 6.658 -5.758 1.00 53.11 C ATOM 261 O SER A 21 -10.940 6.682 -4.810 1.00 71.44 O ATOM 262 CB SER A 21 -8.470 8.167 -4.669 1.00 62.24 C ATOM 263 OG SER A 21 -7.335 9.002 -4.883 1.00 12.33 O ATOM 0 H SER A 21 -10.332 9.548 -5.842 1.00 24.01 H new ATOM 0 HA SER A 21 -8.411 7.494 -6.695 1.00 1.15 H new ATOM 0 HB2 SER A 21 -9.173 8.673 -4.008 1.00 62.24 H new ATOM 0 HB3 SER A 21 -8.158 7.253 -4.163 1.00 62.24 H new ATOM 0 HG SER A 21 -6.915 9.210 -4.022 1.00 12.33 H new ATOM 269 N ALA A 22 -10.084 5.679 -6.648 1.00 23.03 N ATOM 270 CA ALA A 22 -10.959 4.522 -6.561 1.00 4.25 C ATOM 271 C ALA A 22 -10.457 3.591 -5.455 1.00 12.01 C ATOM 272 O ALA A 22 -11.147 3.376 -4.459 1.00 44.41 O ATOM 273 CB ALA A 22 -11.024 3.828 -7.922 1.00 73.23 C ATOM 0 H ALA A 22 -9.433 5.663 -7.433 1.00 23.03 H new ATOM 0 HA ALA A 22 -11.973 4.826 -6.301 1.00 4.25 H new ATOM 0 HB1 ALA A 22 -11.680 2.960 -7.857 1.00 73.23 H new ATOM 0 HB2 ALA A 22 -11.414 4.523 -8.666 1.00 73.23 H new ATOM 0 HB3 ALA A 22 -10.025 3.506 -8.214 1.00 73.23 H new ATOM 279 N ALA A 23 -9.261 3.063 -5.667 1.00 42.03 N ATOM 280 CA ALA A 23 -8.659 2.160 -4.701 1.00 60.11 C ATOM 281 C ALA A 23 -7.494 2.867 -4.006 1.00 23.42 C ATOM 282 O ALA A 23 -6.631 2.217 -3.418 1.00 23.33 O ATOM 283 CB ALA A 23 -8.224 0.874 -5.406 1.00 63.24 C ATOM 0 H ALA A 23 -8.692 3.243 -6.494 1.00 42.03 H new ATOM 0 HA ALA A 23 -9.381 1.882 -3.933 1.00 60.11 H new ATOM 0 HB1 ALA A 23 -7.772 0.197 -4.681 1.00 63.24 H new ATOM 0 HB2 ALA A 23 -9.093 0.395 -5.858 1.00 63.24 H new ATOM 0 HB3 ALA A 23 -7.497 1.113 -6.182 1.00 63.24 H new ATOM 289 N GLU A 24 -7.506 4.188 -4.096 1.00 53.41 N ATOM 290 CA GLU A 24 -6.461 4.990 -3.483 1.00 13.50 C ATOM 291 C GLU A 24 -7.033 5.812 -2.326 1.00 22.04 C ATOM 292 O GLU A 24 -8.227 6.105 -2.298 1.00 31.20 O ATOM 293 CB GLU A 24 -5.787 5.895 -4.516 1.00 65.44 C ATOM 294 CG GLU A 24 -4.977 5.071 -5.520 1.00 54.14 C ATOM 295 CD GLU A 24 -3.690 5.798 -5.915 1.00 54.32 C ATOM 296 OE1 GLU A 24 -3.623 7.033 -5.824 1.00 53.14 O ATOM 297 OE2 GLU A 24 -2.737 5.034 -6.328 1.00 22.33 O ATOM 0 H GLU A 24 -8.223 4.724 -4.585 1.00 53.41 H new ATOM 0 HA GLU A 24 -5.701 4.318 -3.086 1.00 13.50 H new ATOM 0 HB2 GLU A 24 -6.543 6.477 -5.043 1.00 65.44 H new ATOM 0 HB3 GLU A 24 -5.133 6.605 -4.011 1.00 65.44 H new ATOM 0 HG2 GLU A 24 -4.733 4.101 -5.087 1.00 54.14 H new ATOM 0 HG3 GLU A 24 -5.579 4.880 -6.409 1.00 54.14 H new ATOM 305 N ALA A 25 -6.153 6.161 -1.398 1.00 61.35 N ATOM 306 CA ALA A 25 -6.555 6.943 -0.242 1.00 20.33 C ATOM 307 C ALA A 25 -7.609 6.168 0.551 1.00 75.30 C ATOM 308 O ALA A 25 -8.413 6.762 1.268 1.00 72.12 O ATOM 309 CB ALA A 25 -7.061 8.312 -0.701 1.00 64.43 C ATOM 0 H ALA A 25 -5.163 5.916 -1.424 1.00 61.35 H new ATOM 0 HA ALA A 25 -5.705 7.115 0.419 1.00 20.33 H new ATOM 0 HB1 ALA A 25 -7.363 8.898 0.167 1.00 64.43 H new ATOM 0 HB2 ALA A 25 -6.266 8.834 -1.233 1.00 64.43 H new ATOM 0 HB3 ALA A 25 -7.916 8.180 -1.364 1.00 64.43 H new ATOM 315 N TYR A 26 -7.572 4.852 0.395 1.00 12.53 N ATOM 316 CA TYR A 26 -8.515 3.990 1.088 1.00 63.05 C ATOM 317 C TYR A 26 -7.799 2.802 1.733 1.00 63.55 C ATOM 318 O TYR A 26 -7.992 2.523 2.915 1.00 72.11 O ATOM 319 CB TYR A 26 -9.476 3.471 0.017 1.00 72.23 C ATOM 320 CG TYR A 26 -9.476 1.948 -0.135 1.00 2.34 C ATOM 321 CD1 TYR A 26 -9.923 1.152 0.900 1.00 70.10 C ATOM 322 CD2 TYR A 26 -9.028 1.371 -1.306 1.00 10.23 C ATOM 323 CE1 TYR A 26 -9.923 -0.281 0.758 1.00 44.04 C ATOM 324 CE2 TYR A 26 -9.028 -0.062 -1.448 1.00 44.31 C ATOM 325 CZ TYR A 26 -9.475 -0.817 -0.409 1.00 61.13 C ATOM 326 OH TYR A 26 -9.475 -2.170 -0.544 1.00 25.42 O ATOM 0 H TYR A 26 -6.904 4.362 -0.201 1.00 12.53 H new ATOM 0 HA TYR A 26 -9.027 4.538 1.879 1.00 63.05 H new ATOM 0 HB2 TYR A 26 -10.486 3.802 0.259 1.00 72.23 H new ATOM 0 HB3 TYR A 26 -9.214 3.921 -0.940 1.00 72.23 H new ATOM 0 HD1 TYR A 26 -10.273 1.604 1.816 1.00 70.10 H new ATOM 0 HD2 TYR A 26 -8.678 1.994 -2.116 1.00 10.23 H new ATOM 0 HE1 TYR A 26 -10.271 -0.916 1.560 1.00 44.04 H new ATOM 0 HE2 TYR A 26 -8.681 -0.527 -2.359 1.00 44.31 H new ATOM 0 HH TYR A 26 -9.130 -2.410 -1.429 1.00 25.42 H new ATOM 336 N ALA A 27 -6.986 2.133 0.927 1.00 35.12 N ATOM 337 CA ALA A 27 -6.241 0.981 1.405 1.00 64.14 C ATOM 338 C ALA A 27 -5.219 1.437 2.448 1.00 11.03 C ATOM 339 O ALA A 27 -4.613 0.612 3.131 1.00 53.40 O ATOM 340 CB ALA A 27 -5.585 0.270 0.219 1.00 31.10 C ATOM 0 H ALA A 27 -6.827 2.367 -0.053 1.00 35.12 H new ATOM 0 HA ALA A 27 -6.908 0.266 1.887 1.00 64.14 H new ATOM 0 HB1 ALA A 27 -5.026 -0.594 0.577 1.00 31.10 H new ATOM 0 HB2 ALA A 27 -6.355 -0.059 -0.479 1.00 31.10 H new ATOM 0 HB3 ALA A 27 -4.906 0.957 -0.287 1.00 31.10 H new ATOM 346 N LYS A 28 -5.059 2.749 2.539 1.00 13.13 N ATOM 347 CA LYS A 28 -4.122 3.325 3.488 1.00 24.23 C ATOM 348 C LYS A 28 -4.824 3.532 4.831 1.00 34.15 C ATOM 349 O LYS A 28 -4.332 3.089 5.868 1.00 13.33 O ATOM 350 CB LYS A 28 -3.497 4.600 2.918 1.00 30.21 C ATOM 351 CG LYS A 28 -4.479 5.771 2.989 1.00 33.22 C ATOM 352 CD LYS A 28 -3.895 7.018 2.324 1.00 44.14 C ATOM 353 CE LYS A 28 -2.942 7.750 3.271 1.00 14.14 C ATOM 354 NZ LYS A 28 -2.132 8.741 2.529 1.00 62.25 N ATOM 0 H LYS A 28 -5.563 3.430 1.971 1.00 13.13 H new ATOM 0 HA LYS A 28 -3.291 2.642 3.664 1.00 24.23 H new ATOM 0 HB2 LYS A 28 -2.592 4.845 3.474 1.00 30.21 H new ATOM 0 HB3 LYS A 28 -3.200 4.432 1.883 1.00 30.21 H new ATOM 0 HG2 LYS A 28 -5.413 5.497 2.499 1.00 33.22 H new ATOM 0 HG3 LYS A 28 -4.717 5.988 4.030 1.00 33.22 H new ATOM 0 HD2 LYS A 28 -3.364 6.735 1.415 1.00 44.14 H new ATOM 0 HD3 LYS A 28 -4.702 7.687 2.026 1.00 44.14 H new ATOM 0 HE2 LYS A 28 -3.512 8.251 4.054 1.00 14.14 H new ATOM 0 HE3 LYS A 28 -2.287 7.032 3.763 1.00 14.14 H new ATOM 0 HZ1 LYS A 28 -1.491 9.228 3.187 1.00 62.25 H new ATOM 0 HZ2 LYS A 28 -1.574 8.256 1.798 1.00 62.25 H new ATOM 0 HZ3 LYS A 28 -2.761 9.437 2.080 1.00 62.25 H new ATOM 367 N ARG A 29 -5.964 4.205 4.769 1.00 30.33 N ATOM 368 CA ARG A 29 -6.739 4.476 5.968 1.00 75.22 C ATOM 369 C ARG A 29 -7.263 3.169 6.568 1.00 2.52 C ATOM 370 O ARG A 29 -7.224 2.981 7.783 1.00 11.32 O ATOM 371 CB ARG A 29 -7.921 5.398 5.662 1.00 14.12 C ATOM 372 CG ARG A 29 -7.500 6.540 4.735 1.00 74.23 C ATOM 373 CD ARG A 29 -8.504 7.693 4.794 1.00 0.25 C ATOM 374 NE ARG A 29 -7.950 8.882 4.109 1.00 40.10 N ATOM 375 CZ ARG A 29 -8.571 10.079 4.050 1.00 3.50 C ATOM 376 NH1 ARG A 29 -9.774 10.257 4.636 1.00 3.23 N ATOM 377 NH2 ARG A 29 -7.984 11.074 3.410 1.00 23.24 N ATOM 0 H ARG A 29 -6.369 4.570 3.907 1.00 30.33 H new ATOM 0 HA ARG A 29 -6.082 4.971 6.683 1.00 75.22 H new ATOM 0 HB2 ARG A 29 -8.723 4.825 5.197 1.00 14.12 H new ATOM 0 HB3 ARG A 29 -8.318 5.807 6.591 1.00 14.12 H new ATOM 0 HG2 ARG A 29 -6.511 6.899 5.021 1.00 74.23 H new ATOM 0 HG3 ARG A 29 -7.422 6.173 3.712 1.00 74.23 H new ATOM 0 HD2 ARG A 29 -9.441 7.395 4.323 1.00 0.25 H new ATOM 0 HD3 ARG A 29 -8.732 7.935 5.832 1.00 0.25 H new ATOM 0 HE ARG A 29 -7.042 8.791 3.653 1.00 40.10 H new ATOM 0 HH11 ARG A 29 -10.221 9.484 5.128 1.00 3.23 H new ATOM 0 HH12 ARG A 29 -10.236 11.165 4.586 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -7.075 10.931 2.970 1.00 23.24 H new ATOM 0 HH22 ARG A 29 -8.440 11.985 3.356 1.00 23.24 H new ATOM 390 N ILE A 30 -7.740 2.301 5.689 1.00 30.31 N ATOM 391 CA ILE A 30 -8.270 1.017 6.117 1.00 14.43 C ATOM 392 C ILE A 30 -7.440 0.493 7.290 1.00 0.14 C ATOM 393 O ILE A 30 -7.991 0.078 8.309 1.00 63.11 O ATOM 394 CB ILE A 30 -8.347 0.048 4.936 1.00 43.21 C ATOM 395 CG1 ILE A 30 -9.391 0.508 3.916 1.00 24.21 C ATOM 396 CG2 ILE A 30 -8.605 -1.382 5.416 1.00 43.44 C ATOM 397 CD1 ILE A 30 -10.591 -0.441 3.895 1.00 40.42 C ATOM 0 H ILE A 30 -7.771 2.461 4.682 1.00 30.31 H new ATOM 0 HA ILE A 30 -9.294 1.128 6.475 1.00 14.43 H new ATOM 0 HB ILE A 30 -7.381 0.048 4.430 1.00 43.21 H new ATOM 0 HG12 ILE A 30 -9.724 1.516 4.161 1.00 24.21 H new ATOM 0 HG13 ILE A 30 -8.941 0.553 2.924 1.00 24.21 H new ATOM 0 HG21 ILE A 30 -8.655 -2.051 4.557 1.00 43.44 H new ATOM 0 HG22 ILE A 30 -7.795 -1.697 6.074 1.00 43.44 H new ATOM 0 HG23 ILE A 30 -9.549 -1.419 5.960 1.00 43.44 H new ATOM 0 HD11 ILE A 30 -11.318 -0.092 3.162 1.00 40.42 H new ATOM 0 HD12 ILE A 30 -10.258 -1.443 3.626 1.00 40.42 H new ATOM 0 HD13 ILE A 30 -11.053 -0.465 4.882 1.00 40.42 H new ATOM 409 N ALA A 31 -6.128 0.529 7.108 1.00 12.12 N ATOM 410 CA ALA A 31 -5.216 0.063 8.139 1.00 73.32 C ATOM 411 C ALA A 31 -5.641 0.641 9.490 1.00 54.42 C ATOM 412 O ALA A 31 -5.874 -0.102 10.442 1.00 53.31 O ATOM 413 CB ALA A 31 -3.783 0.447 7.765 1.00 73.12 C ATOM 0 H ALA A 31 -5.675 0.874 6.262 1.00 12.12 H new ATOM 0 HA ALA A 31 -5.252 -1.023 8.220 1.00 73.32 H new ATOM 0 HB1 ALA A 31 -3.099 0.097 8.538 1.00 73.12 H new ATOM 0 HB2 ALA A 31 -3.520 -0.013 6.813 1.00 73.12 H new ATOM 0 HB3 ALA A 31 -3.708 1.531 7.677 1.00 73.12 H new ATOM 419 N GLU A 32 -5.730 1.963 9.530 1.00 23.21 N ATOM 420 CA GLU A 32 -6.123 2.650 10.749 1.00 63.24 C ATOM 421 C GLU A 32 -7.398 2.027 11.321 1.00 4.33 C ATOM 422 O GLU A 32 -7.461 1.716 12.510 1.00 52.53 O ATOM 423 CB GLU A 32 -6.309 4.148 10.498 1.00 24.40 C ATOM 424 CG GLU A 32 -7.789 4.496 10.331 1.00 71.01 C ATOM 425 CD GLU A 32 -7.978 6.000 10.121 1.00 71.44 C ATOM 426 OE1 GLU A 32 -8.100 6.752 11.099 1.00 44.03 O ATOM 427 OE2 GLU A 32 -7.995 6.380 8.888 1.00 74.20 O ATOM 0 H GLU A 32 -5.537 2.576 8.738 1.00 23.21 H new ATOM 0 HA GLU A 32 -5.325 2.534 11.482 1.00 63.24 H new ATOM 0 HB2 GLU A 32 -5.890 4.715 11.330 1.00 24.40 H new ATOM 0 HB3 GLU A 32 -5.760 4.442 9.604 1.00 24.40 H new ATOM 0 HG2 GLU A 32 -8.201 3.952 9.481 1.00 71.01 H new ATOM 0 HG3 GLU A 32 -8.343 4.176 11.213 1.00 71.01 H new ATOM 435 N ALA A 33 -8.382 1.864 10.449 1.00 24.13 N ATOM 436 CA ALA A 33 -9.651 1.284 10.853 1.00 12.14 C ATOM 437 C ALA A 33 -9.400 -0.072 11.516 1.00 42.03 C ATOM 438 O ALA A 33 -9.824 -0.302 12.647 1.00 32.40 O ATOM 439 CB ALA A 33 -10.574 1.177 9.638 1.00 42.15 C ATOM 0 H ALA A 33 -8.326 2.124 9.464 1.00 24.13 H new ATOM 0 HA ALA A 33 -10.148 1.921 11.584 1.00 12.14 H new ATOM 0 HB1 ALA A 33 -11.526 0.742 9.942 1.00 42.15 H new ATOM 0 HB2 ALA A 33 -10.745 2.170 9.222 1.00 42.15 H new ATOM 0 HB3 ALA A 33 -10.109 0.543 8.883 1.00 42.15 H new ATOM 445 N MET A 34 -8.711 -0.934 10.783 1.00 61.04 N ATOM 446 CA MET A 34 -8.398 -2.261 11.285 1.00 61.23 C ATOM 447 C MET A 34 -7.533 -2.181 12.544 1.00 23.00 C ATOM 448 O MET A 34 -7.356 -3.177 13.244 1.00 2.44 O ATOM 449 CB MET A 34 -7.657 -3.054 10.206 1.00 53.22 C ATOM 450 CG MET A 34 -8.639 -3.665 9.204 1.00 42.03 C ATOM 451 SD MET A 34 -8.372 -5.426 9.084 1.00 1.20 S ATOM 452 CE MET A 34 -9.057 -5.950 10.647 1.00 63.01 C ATOM 0 H MET A 34 -8.361 -0.739 9.845 1.00 61.04 H new ATOM 0 HA MET A 34 -9.332 -2.762 11.540 1.00 61.23 H new ATOM 0 HB2 MET A 34 -6.959 -2.400 9.684 1.00 53.22 H new ATOM 0 HB3 MET A 34 -7.067 -3.844 10.671 1.00 53.22 H new ATOM 0 HG2 MET A 34 -9.663 -3.465 9.518 1.00 42.03 H new ATOM 0 HG3 MET A 34 -8.509 -3.202 8.226 1.00 42.03 H new ATOM 0 HE1 MET A 34 -9.003 -7.036 10.722 1.00 63.01 H new ATOM 0 HE2 MET A 34 -8.489 -5.502 11.462 1.00 63.01 H new ATOM 0 HE3 MET A 34 -10.098 -5.633 10.713 1.00 63.01 H new ATOM 462 N ALA A 35 -7.016 -0.987 12.794 1.00 54.44 N ATOM 463 CA ALA A 35 -6.174 -0.763 13.956 1.00 21.52 C ATOM 464 C ALA A 35 -7.051 -0.380 15.150 1.00 43.21 C ATOM 465 O ALA A 35 -7.130 0.792 15.515 1.00 13.10 O ATOM 466 CB ALA A 35 -5.129 0.307 13.632 1.00 34.52 C ATOM 0 H ALA A 35 -7.164 -0.164 12.211 1.00 54.44 H new ATOM 0 HA ALA A 35 -5.636 -1.673 14.221 1.00 21.52 H new ATOM 0 HB1 ALA A 35 -4.497 0.475 14.504 1.00 34.52 H new ATOM 0 HB2 ALA A 35 -4.513 -0.027 12.797 1.00 34.52 H new ATOM 0 HB3 ALA A 35 -5.631 1.236 13.364 1.00 34.52 H new ATOM 472 N LYS A 36 -7.687 -1.390 15.725 1.00 3.20 N ATOM 473 CA LYS A 36 -8.555 -1.173 16.870 1.00 62.00 C ATOM 474 C LYS A 36 -8.686 -2.477 17.659 1.00 20.22 C ATOM 475 O LYS A 36 -8.795 -3.553 17.073 1.00 35.23 O ATOM 476 CB LYS A 36 -9.896 -0.587 16.423 1.00 64.45 C ATOM 477 CG LYS A 36 -10.653 -1.572 15.530 1.00 74.14 C ATOM 478 CD LYS A 36 -12.163 -1.461 15.749 1.00 34.24 C ATOM 479 CE LYS A 36 -12.769 -0.375 14.858 1.00 2.11 C ATOM 480 NZ LYS A 36 -13.557 0.581 15.668 1.00 25.14 N ATOM 0 H LYS A 36 -7.619 -2.361 15.419 1.00 3.20 H new ATOM 0 HA LYS A 36 -8.120 -0.435 17.543 1.00 62.00 H new ATOM 0 HB2 LYS A 36 -10.500 -0.344 17.297 1.00 64.45 H new ATOM 0 HB3 LYS A 36 -9.728 0.345 15.883 1.00 64.45 H new ATOM 0 HG2 LYS A 36 -10.418 -1.375 14.484 1.00 74.14 H new ATOM 0 HG3 LYS A 36 -10.325 -2.589 15.744 1.00 74.14 H new ATOM 0 HD2 LYS A 36 -12.636 -2.419 15.534 1.00 34.24 H new ATOM 0 HD3 LYS A 36 -12.366 -1.233 16.795 1.00 34.24 H new ATOM 0 HE2 LYS A 36 -11.976 0.154 14.330 1.00 2.11 H new ATOM 0 HE3 LYS A 36 -13.407 -0.831 14.101 1.00 2.11 H new ATOM 0 HZ1 LYS A 36 -13.961 1.311 15.047 1.00 25.14 H new ATOM 0 HZ2 LYS A 36 -14.325 0.075 16.153 1.00 25.14 H new ATOM 0 HZ3 LYS A 36 -12.939 1.030 16.374 1.00 25.14 H new ATOM 493 N GLY A 37 -8.671 -2.338 18.977 1.00 63.33 N ATOM 494 CA GLY A 37 -8.787 -3.492 19.852 1.00 24.13 C ATOM 495 C GLY A 37 -7.973 -4.671 19.316 1.00 65.40 C ATOM 496 O GLY A 37 -7.273 -5.343 20.073 1.00 52.20 O ATOM 0 H GLY A 37 -8.580 -1.444 19.460 1.00 63.33 H new ATOM 0 HA2 GLY A 37 -8.440 -3.231 20.852 1.00 24.13 H new ATOM 0 HA3 GLY A 37 -9.834 -3.780 19.943 1.00 24.13 H new TER 500 GLY A 37