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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 42:sc= 0.835 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0035 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 47:sc= 0.178 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.332) 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 -3.554 -9.774 -11.778 1.00 71.43 N ATOM 2 CA ARG A 1 -4.303 -8.934 -10.860 1.00 1.42 C ATOM 3 C ARG A 1 -5.090 -7.874 -11.632 1.00 54.54 C ATOM 4 O ARG A 1 -6.311 -7.786 -11.505 1.00 3.14 O ATOM 5 CB ARG A 1 -3.371 -8.241 -9.863 1.00 34.20 C ATOM 6 CG ARG A 1 -4.169 -7.430 -8.839 1.00 62.35 C ATOM 7 CD ARG A 1 -3.967 -5.929 -9.052 1.00 51.44 C ATOM 8 NE ARG A 1 -2.752 -5.475 -8.340 1.00 22.21 N ATOM 9 CZ ARG A 1 -2.065 -4.356 -8.652 1.00 0.52 C ATOM 10 NH1 ARG A 1 -2.469 -3.565 -9.668 1.00 53.44 N ATOM 11 NH2 ARG A 1 -0.992 -4.046 -7.948 1.00 11.10 N ATOM 0 H1 ARG A 1 -3.024 -10.489 -11.240 1.00 71.43 H new ATOM 0 H2 ARG A 1 -4.211 -10.248 -12.430 1.00 71.43 H new ATOM 0 H3 ARG A 1 -2.889 -9.187 -12.322 1.00 71.43 H new ATOM 0 HA ARG A 1 -4.993 -9.575 -10.311 1.00 1.42 H new ATOM 0 HB2 ARG A 1 -2.764 -8.986 -9.349 1.00 34.20 H new ATOM 0 HB3 ARG A 1 -2.685 -7.584 -10.397 1.00 34.20 H new ATOM 0 HG2 ARG A 1 -5.228 -7.674 -8.922 1.00 62.35 H new ATOM 0 HG3 ARG A 1 -3.858 -7.703 -7.831 1.00 62.35 H new ATOM 0 HD2 ARG A 1 -3.876 -5.714 -10.117 1.00 51.44 H new ATOM 0 HD3 ARG A 1 -4.837 -5.382 -8.689 1.00 51.44 H new ATOM 0 HE ARG A 1 -2.412 -6.044 -7.564 1.00 22.21 H new ATOM 0 HH11 ARG A 1 -3.299 -3.811 -10.207 1.00 53.44 H new ATOM 0 HH12 ARG A 1 -1.944 -2.721 -9.897 1.00 53.44 H new ATOM 0 HH21 ARG A 1 -0.693 -4.649 -7.181 1.00 11.10 H new ATOM 0 HH22 ARG A 1 -0.462 -3.204 -8.171 1.00 11.10 H new ATOM 24 N GLY A 2 -4.360 -7.095 -12.417 1.00 52.22 N ATOM 25 CA GLY A 2 -4.975 -6.044 -13.210 1.00 73.24 C ATOM 26 C GLY A 2 -4.132 -5.726 -14.447 1.00 75.32 C ATOM 27 O GLY A 2 -3.382 -4.752 -14.457 1.00 64.15 O ATOM 0 H GLY A 2 -3.348 -7.171 -12.521 1.00 52.22 H new ATOM 0 HA2 GLY A 2 -5.975 -6.352 -13.516 1.00 73.24 H new ATOM 0 HA3 GLY A 2 -5.090 -5.146 -12.603 1.00 73.24 H new ATOM 31 N LYS A 3 -4.285 -6.567 -15.460 1.00 11.20 N ATOM 32 CA LYS A 3 -3.547 -6.388 -16.699 1.00 14.40 C ATOM 33 C LYS A 3 -4.483 -6.633 -17.884 1.00 61.35 C ATOM 34 O LYS A 3 -5.387 -7.463 -17.805 1.00 32.34 O ATOM 35 CB LYS A 3 -2.296 -7.268 -16.710 1.00 34.31 C ATOM 36 CG LYS A 3 -2.670 -8.752 -16.738 1.00 14.32 C ATOM 37 CD LYS A 3 -1.423 -9.629 -16.864 1.00 75.33 C ATOM 38 CE LYS A 3 -1.122 -10.347 -15.547 1.00 74.22 C ATOM 39 NZ LYS A 3 -0.470 -11.650 -15.805 1.00 24.32 N ATOM 0 H LYS A 3 -4.909 -7.374 -15.448 1.00 11.20 H new ATOM 0 HA LYS A 3 -3.187 -5.363 -16.784 1.00 14.40 H new ATOM 0 HB2 LYS A 3 -1.685 -7.027 -17.580 1.00 34.31 H new ATOM 0 HB3 LYS A 3 -1.692 -7.058 -15.828 1.00 34.31 H new ATOM 0 HG2 LYS A 3 -3.211 -9.012 -15.828 1.00 14.32 H new ATOM 0 HG3 LYS A 3 -3.341 -8.946 -17.575 1.00 14.32 H new ATOM 0 HD2 LYS A 3 -1.569 -10.362 -17.657 1.00 75.33 H new ATOM 0 HD3 LYS A 3 -0.569 -9.015 -17.151 1.00 75.33 H new ATOM 0 HE2 LYS A 3 -0.475 -9.726 -14.927 1.00 74.22 H new ATOM 0 HE3 LYS A 3 -2.046 -10.500 -14.990 1.00 74.22 H new ATOM 0 HZ1 LYS A 3 -0.272 -12.124 -14.901 1.00 24.32 H new ATOM 0 HZ2 LYS A 3 -1.100 -12.246 -16.378 1.00 24.32 H new ATOM 0 HZ3 LYS A 3 0.422 -11.496 -16.317 1.00 24.32 H new ATOM 52 N TRP A 4 -4.233 -5.896 -18.957 1.00 31.51 N ATOM 53 CA TRP A 4 -5.042 -6.024 -20.157 1.00 43.14 C ATOM 54 C TRP A 4 -4.262 -5.408 -21.321 1.00 3.35 C ATOM 55 O TRP A 4 -4.092 -4.191 -21.383 1.00 65.11 O ATOM 56 CB TRP A 4 -6.420 -5.390 -19.960 1.00 32.32 C ATOM 57 CG TRP A 4 -6.375 -3.942 -19.468 1.00 63.21 C ATOM 58 CD1 TRP A 4 -6.424 -3.498 -18.205 1.00 4.12 C ATOM 59 CD2 TRP A 4 -6.268 -2.759 -20.287 1.00 55.15 C ATOM 60 NE1 TRP A 4 -6.357 -2.121 -18.150 1.00 40.51 N ATOM 61 CE2 TRP A 4 -6.260 -1.657 -19.457 1.00 5.11 C ATOM 62 CE3 TRP A 4 -6.183 -2.624 -21.684 1.00 64.24 C ATOM 63 CZ2 TRP A 4 -6.166 -0.342 -19.929 1.00 33.14 C ATOM 64 CZ3 TRP A 4 -6.090 -1.304 -22.140 1.00 10.40 C ATOM 65 CH2 TRP A 4 -6.080 -0.184 -21.317 1.00 1.41 C ATOM 0 H TRP A 4 -3.482 -5.209 -19.020 1.00 31.51 H new ATOM 0 HA TRP A 4 -5.234 -7.073 -20.382 1.00 43.14 H new ATOM 0 HB2 TRP A 4 -6.963 -5.425 -20.904 1.00 32.32 H new ATOM 0 HB3 TRP A 4 -6.985 -5.988 -19.245 1.00 32.32 H new ATOM 0 HD1 TRP A 4 -6.506 -4.138 -17.339 1.00 4.12 H new ATOM 0 HE1 TRP A 4 -6.375 -1.549 -17.306 1.00 40.51 H new ATOM 0 HE3 TRP A 4 -6.189 -3.472 -22.353 1.00 64.24 H new ATOM 0 HZ2 TRP A 4 -6.160 0.504 -19.258 1.00 33.14 H new ATOM 0 HZ3 TRP A 4 -6.021 -1.145 -23.206 1.00 10.40 H new ATOM 0 HH2 TRP A 4 -6.006 0.804 -21.747 1.00 1.41 H new ATOM 76 N THR A 5 -3.808 -6.276 -22.213 1.00 14.21 N ATOM 77 CA THR A 5 -3.050 -5.832 -23.370 1.00 74.25 C ATOM 78 C THR A 5 -3.983 -5.599 -24.561 1.00 3.01 C ATOM 79 O THR A 5 -4.408 -6.549 -25.217 1.00 4.13 O ATOM 80 CB THR A 5 -1.960 -6.869 -23.647 1.00 4.21 C ATOM 81 OG1 THR A 5 -2.675 -8.091 -23.807 1.00 44.24 O ATOM 82 CG2 THR A 5 -1.066 -7.117 -22.430 1.00 62.01 C ATOM 0 H THR A 5 -3.951 -7.284 -22.158 1.00 14.21 H new ATOM 0 HA THR A 5 -2.567 -4.873 -23.182 1.00 74.25 H new ATOM 0 HB THR A 5 -1.348 -6.537 -24.486 1.00 4.21 H new ATOM 0 HG1 THR A 5 -3.484 -7.930 -24.336 1.00 44.24 H new ATOM 0 HG21 THR A 5 -0.309 -7.861 -22.680 1.00 62.01 H new ATOM 0 HG22 THR A 5 -0.578 -6.186 -22.141 1.00 62.01 H new ATOM 0 HG23 THR A 5 -1.673 -7.481 -21.601 1.00 62.01 H new ATOM 90 N TYR A 6 -4.273 -4.329 -24.804 1.00 35.40 N ATOM 91 CA TYR A 6 -5.148 -3.959 -25.904 1.00 63.20 C ATOM 92 C TYR A 6 -4.600 -4.475 -27.237 1.00 15.34 C ATOM 93 O TYR A 6 -5.345 -5.026 -28.046 1.00 21.12 O ATOM 94 CB TYR A 6 -5.166 -2.430 -25.931 1.00 54.34 C ATOM 95 CG TYR A 6 -5.979 -1.838 -27.084 1.00 54.24 C ATOM 96 CD1 TYR A 6 -7.354 -1.761 -26.991 1.00 73.13 C ATOM 97 CD2 TYR A 6 -5.338 -1.381 -28.218 1.00 10.23 C ATOM 98 CE1 TYR A 6 -8.120 -1.204 -28.077 1.00 25.15 C ATOM 99 CE2 TYR A 6 -6.103 -0.824 -29.303 1.00 12.31 C ATOM 100 CZ TYR A 6 -7.456 -0.763 -29.179 1.00 12.22 C ATOM 101 OH TYR A 6 -8.179 -0.237 -30.204 1.00 1.23 O ATOM 0 H TYR A 6 -3.918 -3.544 -24.258 1.00 35.40 H new ATOM 0 HA TYR A 6 -6.141 -4.386 -25.766 1.00 63.20 H new ATOM 0 HB2 TYR A 6 -5.573 -2.065 -24.988 1.00 54.34 H new ATOM 0 HB3 TYR A 6 -4.141 -2.066 -25.998 1.00 54.34 H new ATOM 0 HD1 TYR A 6 -7.856 -2.118 -26.104 1.00 73.13 H new ATOM 0 HD2 TYR A 6 -4.262 -1.441 -28.291 1.00 10.23 H new ATOM 0 HE1 TYR A 6 -9.196 -1.138 -28.017 1.00 25.15 H new ATOM 0 HE2 TYR A 6 -5.613 -0.463 -30.195 1.00 12.31 H new ATOM 0 HH TYR A 6 -7.574 0.038 -30.924 1.00 1.23 H new ATOM 111 N ASN A 7 -3.304 -4.277 -27.424 1.00 2.24 N ATOM 112 CA ASN A 7 -2.648 -4.715 -28.644 1.00 53.32 C ATOM 113 C ASN A 7 -1.575 -5.749 -28.299 1.00 32.13 C ATOM 114 O ASN A 7 -1.638 -6.890 -28.754 1.00 74.01 O ATOM 115 CB ASN A 7 -1.965 -3.544 -29.353 1.00 51.41 C ATOM 116 CG ASN A 7 -1.869 -3.795 -30.859 1.00 62.12 C ATOM 117 OD1 ASN A 7 -2.597 -4.591 -31.430 1.00 25.04 O ATOM 118 ND2 ASN A 7 -0.932 -3.074 -31.469 1.00 74.12 N ATOM 0 H ASN A 7 -2.690 -3.819 -26.751 1.00 2.24 H new ATOM 0 HA ASN A 7 -3.407 -5.141 -29.300 1.00 53.32 H new ATOM 0 HB2 ASN A 7 -2.524 -2.627 -29.169 1.00 51.41 H new ATOM 0 HB3 ASN A 7 -0.967 -3.397 -28.941 1.00 51.41 H new ATOM 0 HD21 ASN A 7 -0.789 -3.170 -32.474 1.00 74.12 H new ATOM 0 HD22 ASN A 7 -0.357 -2.426 -30.931 1.00 74.12 H new ATOM 125 N GLY A 8 -0.615 -5.313 -27.497 1.00 21.33 N ATOM 126 CA GLY A 8 0.470 -6.187 -27.085 1.00 24.31 C ATOM 127 C GLY A 8 1.340 -5.517 -26.020 1.00 3.23 C ATOM 128 O GLY A 8 2.546 -5.754 -25.958 1.00 52.45 O ATOM 0 H GLY A 8 -0.566 -4.366 -27.121 1.00 21.33 H new ATOM 0 HA2 GLY A 8 0.062 -7.119 -26.693 1.00 24.31 H new ATOM 0 HA3 GLY A 8 1.082 -6.445 -27.949 1.00 24.31 H new ATOM 132 N ILE A 9 0.695 -4.693 -25.207 1.00 20.32 N ATOM 133 CA ILE A 9 1.395 -3.987 -24.147 1.00 53.12 C ATOM 134 C ILE A 9 0.760 -4.339 -22.800 1.00 40.42 C ATOM 135 O ILE A 9 -0.437 -4.611 -22.726 1.00 53.43 O ATOM 136 CB ILE A 9 1.430 -2.485 -24.437 1.00 71.00 C ATOM 137 CG1 ILE A 9 1.662 -1.684 -23.154 1.00 62.40 C ATOM 138 CG2 ILE A 9 0.163 -2.038 -25.170 1.00 65.31 C ATOM 139 CD1 ILE A 9 3.063 -1.941 -22.594 1.00 13.42 C ATOM 0 H ILE A 9 -0.305 -4.498 -25.261 1.00 20.32 H new ATOM 0 HA ILE A 9 2.437 -4.304 -24.101 1.00 53.12 H new ATOM 0 HB ILE A 9 2.273 -2.285 -25.099 1.00 71.00 H new ATOM 0 HG12 ILE A 9 1.537 -0.620 -23.357 1.00 62.40 H new ATOM 0 HG13 ILE A 9 0.913 -1.957 -22.410 1.00 62.40 H new ATOM 0 HG21 ILE A 9 0.214 -0.967 -25.364 1.00 65.31 H new ATOM 0 HG22 ILE A 9 0.081 -2.574 -26.115 1.00 65.31 H new ATOM 0 HG23 ILE A 9 -0.709 -2.254 -24.553 1.00 65.31 H new ATOM 0 HD11 ILE A 9 3.203 -1.360 -21.682 1.00 13.42 H new ATOM 0 HD12 ILE A 9 3.176 -3.002 -22.369 1.00 13.42 H new ATOM 0 HD13 ILE A 9 3.809 -1.645 -23.331 1.00 13.42 H new ATOM 151 N THR A 10 1.591 -4.322 -21.768 1.00 51.23 N ATOM 152 CA THR A 10 1.126 -4.636 -20.428 1.00 10.51 C ATOM 153 C THR A 10 -0.164 -3.873 -20.119 1.00 20.22 C ATOM 154 O THR A 10 -1.213 -4.480 -19.910 1.00 31.23 O ATOM 155 CB THR A 10 2.262 -4.330 -19.450 1.00 11.52 C ATOM 156 OG1 THR A 10 3.347 -5.126 -19.918 1.00 1.40 O ATOM 157 CG2 THR A 10 1.985 -4.867 -18.044 1.00 50.22 C ATOM 0 H THR A 10 2.583 -4.096 -21.833 1.00 51.23 H new ATOM 0 HA THR A 10 0.872 -5.692 -20.334 1.00 10.51 H new ATOM 0 HB THR A 10 2.419 -3.252 -19.402 1.00 11.52 H new ATOM 0 HG1 THR A 10 4.127 -4.987 -19.341 1.00 1.40 H new ATOM 0 HG21 THR A 10 2.822 -4.623 -17.390 1.00 50.22 H new ATOM 0 HG22 THR A 10 1.075 -4.412 -17.654 1.00 50.22 H new ATOM 0 HG23 THR A 10 1.861 -5.949 -18.086 1.00 50.22 H new ATOM 165 N TYR A 11 -0.044 -2.554 -20.100 1.00 3.12 N ATOM 166 CA TYR A 11 -1.187 -1.702 -19.820 1.00 31.13 C ATOM 167 C TYR A 11 -1.839 -2.080 -18.488 1.00 1.50 C ATOM 168 O TYR A 11 -3.049 -1.933 -18.321 1.00 43.52 O ATOM 169 CB TYR A 11 -2.186 -1.951 -20.952 1.00 21.45 C ATOM 170 CG TYR A 11 -1.968 -1.066 -22.180 1.00 12.31 C ATOM 171 CD1 TYR A 11 -0.793 -0.355 -22.319 1.00 33.02 C ATOM 172 CD2 TYR A 11 -2.947 -0.977 -23.149 1.00 62.32 C ATOM 173 CE1 TYR A 11 -0.588 0.479 -23.475 1.00 35.41 C ATOM 174 CE2 TYR A 11 -2.742 -0.144 -24.305 1.00 41.33 C ATOM 175 CZ TYR A 11 -1.573 0.543 -24.411 1.00 41.21 C ATOM 176 OH TYR A 11 -1.379 1.331 -25.503 1.00 74.50 O ATOM 0 H TYR A 11 0.828 -2.054 -20.274 1.00 3.12 H new ATOM 0 HA TYR A 11 -0.881 -0.658 -19.755 1.00 31.13 H new ATOM 0 HB2 TYR A 11 -2.123 -2.996 -21.255 1.00 21.45 H new ATOM 0 HB3 TYR A 11 -3.195 -1.788 -20.574 1.00 21.45 H new ATOM 0 HD1 TYR A 11 -0.027 -0.424 -21.561 1.00 33.02 H new ATOM 0 HD2 TYR A 11 -3.867 -1.532 -23.040 1.00 62.32 H new ATOM 0 HE1 TYR A 11 0.327 1.041 -23.596 1.00 35.41 H new ATOM 0 HE2 TYR A 11 -3.499 -0.066 -25.071 1.00 41.33 H new ATOM 0 HH TYR A 11 -2.164 1.279 -26.087 1.00 74.50 H new ATOM 186 N GLU A 12 -1.008 -2.559 -17.574 1.00 12.31 N ATOM 187 CA GLU A 12 -1.489 -2.958 -16.262 1.00 65.41 C ATOM 188 C GLU A 12 -1.847 -1.726 -15.430 1.00 2.43 C ATOM 189 O GLU A 12 -1.104 -0.746 -15.414 1.00 3.41 O ATOM 190 CB GLU A 12 -0.455 -3.826 -15.541 1.00 11.35 C ATOM 191 CG GLU A 12 0.880 -3.090 -15.406 1.00 32.31 C ATOM 192 CD GLU A 12 1.662 -3.591 -14.190 1.00 33.40 C ATOM 193 OE1 GLU A 12 1.878 -4.804 -14.049 1.00 63.20 O ATOM 194 OE2 GLU A 12 2.050 -2.671 -13.374 1.00 43.43 O ATOM 0 H GLU A 12 -0.005 -2.680 -17.716 1.00 12.31 H new ATOM 0 HA GLU A 12 -2.390 -3.557 -16.393 1.00 65.41 H new ATOM 0 HB2 GLU A 12 -0.827 -4.096 -14.553 1.00 11.35 H new ATOM 0 HB3 GLU A 12 -0.308 -4.755 -16.091 1.00 11.35 H new ATOM 0 HG2 GLU A 12 1.473 -3.236 -16.309 1.00 32.31 H new ATOM 0 HG3 GLU A 12 0.701 -2.019 -15.312 1.00 32.31 H new ATOM 202 N GLY A 13 -2.985 -1.815 -14.758 1.00 55.13 N ATOM 203 CA GLY A 13 -3.451 -0.719 -13.926 1.00 13.13 C ATOM 204 C GLY A 13 -4.978 -0.620 -13.953 1.00 41.24 C ATOM 205 O GLY A 13 -5.650 -1.074 -13.029 1.00 21.22 O ATOM 0 H GLY A 13 -3.598 -2.630 -14.773 1.00 55.13 H new ATOM 0 HA2 GLY A 13 -3.111 -0.866 -12.901 1.00 13.13 H new ATOM 0 HA3 GLY A 13 -3.016 0.218 -14.275 1.00 13.13 H new ATOM 209 N GLY A 14 -5.481 -0.023 -15.024 1.00 1.21 N ATOM 210 CA GLY A 14 -6.916 0.142 -15.184 1.00 63.22 C ATOM 211 C GLY A 14 -7.240 1.451 -15.906 1.00 51.13 C ATOM 212 O GLY A 14 -6.350 2.098 -16.456 1.00 1.34 O ATOM 0 H GLY A 14 -4.921 0.352 -15.789 1.00 1.21 H new ATOM 0 HA2 GLY A 14 -7.322 -0.698 -15.747 1.00 63.22 H new ATOM 0 HA3 GLY A 14 -7.398 0.133 -14.206 1.00 63.22 H new ATOM 216 N GLY A 15 -8.517 1.802 -15.882 1.00 14.31 N ATOM 217 CA GLY A 15 -8.970 3.023 -16.527 1.00 74.24 C ATOM 218 C GLY A 15 -10.426 2.895 -16.981 1.00 40.33 C ATOM 219 O GLY A 15 -11.217 2.195 -16.352 1.00 32.23 O ATOM 0 H GLY A 15 -9.253 1.262 -15.426 1.00 14.31 H new ATOM 0 HA2 GLY A 15 -8.873 3.861 -15.837 1.00 74.24 H new ATOM 0 HA3 GLY A 15 -8.335 3.242 -17.386 1.00 74.24 H new ATOM 223 N GLY A 16 -10.735 3.583 -18.071 1.00 11.35 N ATOM 224 CA GLY A 16 -12.082 3.556 -18.616 1.00 64.10 C ATOM 225 C GLY A 16 -12.803 4.882 -18.364 1.00 24.42 C ATOM 226 O GLY A 16 -12.961 5.690 -19.277 1.00 71.35 O ATOM 0 H GLY A 16 -10.076 4.162 -18.591 1.00 11.35 H new ATOM 0 HA2 GLY A 16 -12.041 3.358 -19.687 1.00 64.10 H new ATOM 0 HA3 GLY A 16 -12.645 2.740 -18.163 1.00 64.10 H new ATOM 230 N GLY A 17 -13.220 5.064 -17.120 1.00 11.13 N ATOM 231 CA GLY A 17 -13.920 6.278 -16.736 1.00 35.02 C ATOM 232 C GLY A 17 -15.113 5.960 -15.832 1.00 13.22 C ATOM 233 O GLY A 17 -15.567 4.818 -15.776 1.00 13.44 O ATOM 0 H GLY A 17 -13.087 4.391 -16.365 1.00 11.13 H new ATOM 0 HA2 GLY A 17 -13.235 6.949 -16.218 1.00 35.02 H new ATOM 0 HA3 GLY A 17 -14.264 6.801 -17.628 1.00 35.02 H new ATOM 237 N GLY A 18 -15.587 6.991 -15.147 1.00 21.42 N ATOM 238 CA GLY A 18 -16.718 6.836 -14.248 1.00 72.42 C ATOM 239 C GLY A 18 -16.249 6.604 -12.810 1.00 62.15 C ATOM 240 O GLY A 18 -16.352 5.493 -12.291 1.00 44.55 O ATOM 0 H GLY A 18 -15.208 7.937 -15.197 1.00 21.42 H new ATOM 0 HA2 GLY A 18 -17.345 7.726 -14.290 1.00 72.42 H new ATOM 0 HA3 GLY A 18 -17.333 5.997 -14.573 1.00 72.42 H new ATOM 244 N GLY A 19 -15.743 7.670 -12.208 1.00 14.12 N ATOM 245 CA GLY A 19 -15.258 7.597 -10.840 1.00 61.22 C ATOM 246 C GLY A 19 -13.734 7.459 -10.806 1.00 34.21 C ATOM 247 O GLY A 19 -13.048 7.886 -11.733 1.00 21.12 O ATOM 0 H GLY A 19 -15.658 8.589 -12.642 1.00 14.12 H new ATOM 0 HA2 GLY A 19 -15.558 8.492 -10.296 1.00 61.22 H new ATOM 0 HA3 GLY A 19 -15.715 6.747 -10.333 1.00 61.22 H new ATOM 251 N GLY A 20 -13.251 6.861 -9.727 1.00 64.53 N ATOM 252 CA GLY A 20 -11.821 6.661 -9.560 1.00 71.11 C ATOM 253 C GLY A 20 -11.379 7.024 -8.141 1.00 30.00 C ATOM 254 O GLY A 20 -12.077 7.753 -7.437 1.00 64.40 O ATOM 0 H GLY A 20 -13.824 6.509 -8.960 1.00 64.53 H new ATOM 0 HA2 GLY A 20 -11.569 5.621 -9.769 1.00 71.11 H new ATOM 0 HA3 GLY A 20 -11.278 7.272 -10.281 1.00 71.11 H new ATOM 258 N SER A 21 -10.223 6.499 -7.763 1.00 44.22 N ATOM 259 CA SER A 21 -9.679 6.759 -6.441 1.00 33.12 C ATOM 260 C SER A 21 -9.933 8.216 -6.048 1.00 35.55 C ATOM 261 O SER A 21 -9.178 9.107 -6.432 1.00 21.14 O ATOM 262 CB SER A 21 -8.182 6.449 -6.390 1.00 60.00 C ATOM 263 OG SER A 21 -7.479 7.028 -7.486 1.00 74.04 O ATOM 0 H SER A 21 -9.648 5.894 -8.349 1.00 44.22 H new ATOM 0 HA SER A 21 -10.182 6.104 -5.730 1.00 33.12 H new ATOM 0 HB2 SER A 21 -7.766 6.823 -5.454 1.00 60.00 H new ATOM 0 HB3 SER A 21 -8.035 5.369 -6.395 1.00 60.00 H new ATOM 0 HG SER A 21 -7.753 7.963 -7.593 1.00 74.04 H new ATOM 269 N ALA A 22 -11.000 8.412 -5.287 1.00 11.05 N ATOM 270 CA ALA A 22 -11.363 9.745 -4.837 1.00 14.11 C ATOM 271 C ALA A 22 -11.486 9.749 -3.312 1.00 33.51 C ATOM 272 O ALA A 22 -11.002 10.664 -2.649 1.00 14.44 O ATOM 273 CB ALA A 22 -12.657 10.182 -5.527 1.00 71.11 C ATOM 0 H ALA A 22 -11.625 7.670 -4.971 1.00 11.05 H new ATOM 0 HA ALA A 22 -10.590 10.464 -5.107 1.00 14.11 H new ATOM 0 HB1 ALA A 22 -12.930 11.182 -5.190 1.00 71.11 H new ATOM 0 HB2 ALA A 22 -12.508 10.191 -6.607 1.00 71.11 H new ATOM 0 HB3 ALA A 22 -13.456 9.484 -5.277 1.00 71.11 H new ATOM 279 N ALA A 23 -12.136 8.714 -2.800 1.00 73.43 N ATOM 280 CA ALA A 23 -12.329 8.586 -1.366 1.00 20.33 C ATOM 281 C ALA A 23 -11.671 7.292 -0.880 1.00 41.45 C ATOM 282 O ALA A 23 -11.973 6.809 0.209 1.00 33.14 O ATOM 283 CB ALA A 23 -13.824 8.635 -1.045 1.00 11.11 C ATOM 0 H ALA A 23 -12.536 7.956 -3.353 1.00 73.43 H new ATOM 0 HA ALA A 23 -11.855 9.415 -0.840 1.00 20.33 H new ATOM 0 HB1 ALA A 23 -13.968 8.539 0.031 1.00 11.11 H new ATOM 0 HB2 ALA A 23 -14.238 9.585 -1.383 1.00 11.11 H new ATOM 0 HB3 ALA A 23 -14.332 7.816 -1.554 1.00 11.11 H new ATOM 289 N GLU A 24 -10.783 6.769 -1.713 1.00 54.14 N ATOM 290 CA GLU A 24 -10.080 5.541 -1.383 1.00 11.31 C ATOM 291 C GLU A 24 -9.017 5.809 -0.315 1.00 54.22 C ATOM 292 O GLU A 24 -8.687 4.924 0.472 1.00 1.25 O ATOM 293 CB GLU A 24 -9.457 4.913 -2.631 1.00 41.42 C ATOM 294 CG GLU A 24 -8.113 5.566 -2.960 1.00 63.15 C ATOM 295 CD GLU A 24 -7.430 4.855 -4.131 1.00 32.23 C ATOM 296 OE1 GLU A 24 -6.391 5.322 -4.619 1.00 4.31 O ATOM 297 OE2 GLU A 24 -8.017 3.778 -4.532 1.00 1.24 O ATOM 0 H GLU A 24 -10.534 7.173 -2.616 1.00 54.14 H new ATOM 0 HA GLU A 24 -10.801 4.830 -0.980 1.00 11.31 H new ATOM 0 HB2 GLU A 24 -9.317 3.844 -2.473 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -10.136 5.024 -3.476 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -8.266 6.617 -3.207 1.00 63.15 H new ATOM 0 HG3 GLU A 24 -7.466 5.535 -2.084 1.00 63.15 H new ATOM 305 N ALA A 25 -8.512 7.034 -0.323 1.00 63.24 N ATOM 306 CA ALA A 25 -7.493 7.429 0.635 1.00 53.34 C ATOM 307 C ALA A 25 -8.043 7.267 2.053 1.00 31.12 C ATOM 308 O ALA A 25 -7.313 6.884 2.966 1.00 62.53 O ATOM 309 CB ALA A 25 -7.047 8.863 0.343 1.00 52.42 C ATOM 0 H ALA A 25 -8.789 7.766 -0.977 1.00 63.24 H new ATOM 0 HA ALA A 25 -6.614 6.790 0.547 1.00 53.34 H new ATOM 0 HB1 ALA A 25 -6.283 9.160 1.061 1.00 52.42 H new ATOM 0 HB2 ALA A 25 -6.638 8.919 -0.666 1.00 52.42 H new ATOM 0 HB3 ALA A 25 -7.902 9.534 0.425 1.00 52.42 H new ATOM 315 N TYR A 26 -9.326 7.567 2.194 1.00 21.22 N ATOM 316 CA TYR A 26 -9.982 7.459 3.486 1.00 31.12 C ATOM 317 C TYR A 26 -10.401 6.015 3.770 1.00 63.24 C ATOM 318 O TYR A 26 -10.326 5.555 4.908 1.00 2.00 O ATOM 319 CB TYR A 26 -11.235 8.332 3.397 1.00 0.40 C ATOM 320 CG TYR A 26 -12.546 7.545 3.437 1.00 13.35 C ATOM 321 CD1 TYR A 26 -12.870 6.801 4.554 1.00 53.05 C ATOM 322 CD2 TYR A 26 -13.405 7.580 2.358 1.00 74.33 C ATOM 323 CE1 TYR A 26 -14.105 6.060 4.592 1.00 44.35 C ATOM 324 CE2 TYR A 26 -14.640 6.839 2.396 1.00 63.03 C ATOM 325 CZ TYR A 26 -14.928 6.116 3.511 1.00 73.23 C ATOM 326 OH TYR A 26 -16.094 5.416 3.547 1.00 51.24 O ATOM 0 H TYR A 26 -9.929 7.885 1.435 1.00 21.22 H new ATOM 0 HA TYR A 26 -9.310 7.772 4.285 1.00 31.12 H new ATOM 0 HB2 TYR A 26 -11.227 9.046 4.220 1.00 0.40 H new ATOM 0 HB3 TYR A 26 -11.198 8.910 2.473 1.00 0.40 H new ATOM 0 HD1 TYR A 26 -12.198 6.774 5.399 1.00 53.05 H new ATOM 0 HD2 TYR A 26 -13.152 8.163 1.485 1.00 74.33 H new ATOM 0 HE1 TYR A 26 -14.371 5.474 5.459 1.00 44.35 H new ATOM 0 HE2 TYR A 26 -15.321 6.857 1.558 1.00 63.03 H new ATOM 0 HH TYR A 26 -16.582 5.550 2.708 1.00 51.24 H new ATOM 336 N ALA A 27 -10.832 5.340 2.715 1.00 73.45 N ATOM 337 CA ALA A 27 -11.263 3.957 2.836 1.00 40.14 C ATOM 338 C ALA A 27 -10.034 3.048 2.901 1.00 2.40 C ATOM 339 O ALA A 27 -10.157 1.848 3.140 1.00 42.04 O ATOM 340 CB ALA A 27 -12.186 3.606 1.667 1.00 34.34 C ATOM 0 H ALA A 27 -10.892 5.725 1.772 1.00 73.45 H new ATOM 0 HA ALA A 27 -11.830 3.811 3.755 1.00 40.14 H new ATOM 0 HB1 ALA A 27 -12.509 2.569 1.757 1.00 34.34 H new ATOM 0 HB2 ALA A 27 -13.057 4.261 1.682 1.00 34.34 H new ATOM 0 HB3 ALA A 27 -11.649 3.738 0.727 1.00 34.34 H new ATOM 346 N LYS A 28 -8.876 3.656 2.685 1.00 74.21 N ATOM 347 CA LYS A 28 -7.626 2.917 2.716 1.00 22.52 C ATOM 348 C LYS A 28 -7.170 2.754 4.168 1.00 55.51 C ATOM 349 O LYS A 28 -6.691 1.690 4.557 1.00 52.53 O ATOM 350 CB LYS A 28 -6.585 3.586 1.816 1.00 31.23 C ATOM 351 CG LYS A 28 -5.190 3.511 2.441 1.00 34.41 C ATOM 352 CD LYS A 28 -4.164 4.250 1.581 1.00 3.20 C ATOM 353 CE LYS A 28 -3.176 5.027 2.453 1.00 4.13 C ATOM 354 NZ LYS A 28 -1.895 5.223 1.737 1.00 31.04 N ATOM 0 H LYS A 28 -8.778 4.652 2.488 1.00 74.21 H new ATOM 0 HA LYS A 28 -7.766 1.915 2.311 1.00 22.52 H new ATOM 0 HB2 LYS A 28 -6.577 3.100 0.840 1.00 31.23 H new ATOM 0 HB3 LYS A 28 -6.858 4.628 1.651 1.00 31.23 H new ATOM 0 HG2 LYS A 28 -5.212 3.945 3.441 1.00 34.41 H new ATOM 0 HG3 LYS A 28 -4.893 2.468 2.552 1.00 34.41 H new ATOM 0 HD2 LYS A 28 -3.623 3.536 0.960 1.00 3.20 H new ATOM 0 HD3 LYS A 28 -4.676 4.936 0.906 1.00 3.20 H new ATOM 0 HE2 LYS A 28 -3.601 5.994 2.721 1.00 4.13 H new ATOM 0 HE3 LYS A 28 -3.000 4.487 3.383 1.00 4.13 H new ATOM 0 HZ1 LYS A 28 -1.138 4.709 2.232 1.00 31.04 H new ATOM 0 HZ2 LYS A 28 -1.981 4.861 0.766 1.00 31.04 H new ATOM 0 HZ3 LYS A 28 -1.664 6.237 1.710 1.00 31.04 H new ATOM 367 N ARG A 29 -7.336 3.826 4.930 1.00 74.34 N ATOM 368 CA ARG A 29 -6.948 3.816 6.330 1.00 74.31 C ATOM 369 C ARG A 29 -8.031 3.143 7.176 1.00 15.50 C ATOM 370 O ARG A 29 -7.725 2.371 8.083 1.00 74.33 O ATOM 371 CB ARG A 29 -6.715 5.237 6.847 1.00 35.41 C ATOM 372 CG ARG A 29 -5.896 6.056 5.848 1.00 2.13 C ATOM 373 CD ARG A 29 -4.473 5.508 5.727 1.00 65.14 C ATOM 374 NE ARG A 29 -3.618 6.475 5.002 1.00 22.13 N ATOM 375 CZ ARG A 29 -2.297 6.303 4.785 1.00 24.21 C ATOM 376 NH1 ARG A 29 -1.666 5.197 5.236 1.00 55.14 N ATOM 377 NH2 ARG A 29 -1.630 7.232 4.126 1.00 70.13 N ATOM 0 H ARG A 29 -7.734 4.707 4.604 1.00 74.34 H new ATOM 0 HA ARG A 29 -6.017 3.255 6.412 1.00 74.31 H new ATOM 0 HB2 ARG A 29 -7.673 5.725 7.024 1.00 35.41 H new ATOM 0 HB3 ARG A 29 -6.195 5.199 7.804 1.00 35.41 H new ATOM 0 HG2 ARG A 29 -6.381 6.037 4.872 1.00 2.13 H new ATOM 0 HG3 ARG A 29 -5.863 7.098 6.167 1.00 2.13 H new ATOM 0 HD2 ARG A 29 -4.062 5.319 6.719 1.00 65.14 H new ATOM 0 HD3 ARG A 29 -4.485 4.554 5.200 1.00 65.14 H new ATOM 0 HE ARG A 29 -4.055 7.324 4.644 1.00 22.13 H new ATOM 0 HH11 ARG A 29 -2.188 4.484 5.745 1.00 55.14 H new ATOM 0 HH12 ARG A 29 -0.667 5.075 5.068 1.00 55.14 H new ATOM 0 HH21 ARG A 29 -2.113 8.065 3.789 1.00 70.13 H new ATOM 0 HH22 ARG A 29 -0.631 7.117 3.954 1.00 70.13 H new ATOM 390 N ILE A 30 -9.275 3.462 6.850 1.00 53.24 N ATOM 391 CA ILE A 30 -10.406 2.899 7.568 1.00 25.33 C ATOM 392 C ILE A 30 -10.105 1.440 7.920 1.00 2.53 C ATOM 393 O ILE A 30 -10.223 1.040 9.077 1.00 12.34 O ATOM 394 CB ILE A 30 -11.696 3.085 6.768 1.00 71.42 C ATOM 395 CG1 ILE A 30 -12.043 4.568 6.624 1.00 35.23 C ATOM 396 CG2 ILE A 30 -12.844 2.284 7.385 1.00 14.14 C ATOM 397 CD1 ILE A 30 -13.238 4.939 7.505 1.00 32.22 C ATOM 0 H ILE A 30 -9.525 4.104 6.098 1.00 53.24 H new ATOM 0 HA ILE A 30 -10.563 3.429 8.508 1.00 25.33 H new ATOM 0 HB ILE A 30 -11.535 2.694 5.764 1.00 71.42 H new ATOM 0 HG12 ILE A 30 -11.181 5.175 6.900 1.00 35.23 H new ATOM 0 HG13 ILE A 30 -12.271 4.792 5.582 1.00 35.23 H new ATOM 0 HG21 ILE A 30 -13.749 2.434 6.797 1.00 14.14 H new ATOM 0 HG22 ILE A 30 -12.587 1.225 7.391 1.00 14.14 H new ATOM 0 HG23 ILE A 30 -13.015 2.622 8.407 1.00 14.14 H new ATOM 0 HD11 ILE A 30 -13.464 5.998 7.384 1.00 32.22 H new ATOM 0 HD12 ILE A 30 -14.105 4.347 7.211 1.00 32.22 H new ATOM 0 HD13 ILE A 30 -12.998 4.736 8.549 1.00 32.22 H new ATOM 409 N ALA A 31 -9.722 0.686 6.901 1.00 45.01 N ATOM 410 CA ALA A 31 -9.403 -0.719 7.088 1.00 21.30 C ATOM 411 C ALA A 31 -8.450 -0.868 8.276 1.00 41.13 C ATOM 412 O ALA A 31 -8.713 -1.643 9.194 1.00 64.43 O ATOM 413 CB ALA A 31 -8.815 -1.286 5.794 1.00 31.33 C ATOM 0 H ALA A 31 -9.625 1.021 5.943 1.00 45.01 H new ATOM 0 HA ALA A 31 -10.304 -1.290 7.314 1.00 21.30 H new ATOM 0 HB1 ALA A 31 -8.576 -2.340 5.934 1.00 31.33 H new ATOM 0 HB2 ALA A 31 -9.542 -1.183 4.988 1.00 31.33 H new ATOM 0 HB3 ALA A 31 -7.908 -0.739 5.536 1.00 31.33 H new ATOM 419 N GLU A 32 -7.363 -0.112 8.219 1.00 31.35 N ATOM 420 CA GLU A 32 -6.370 -0.150 9.279 1.00 24.21 C ATOM 421 C GLU A 32 -7.049 -0.059 10.647 1.00 22.11 C ATOM 422 O GLU A 32 -6.857 -0.926 11.498 1.00 2.03 O ATOM 423 CB GLU A 32 -5.338 0.966 9.104 1.00 51.12 C ATOM 424 CG GLU A 32 -4.663 0.879 7.733 1.00 34.03 C ATOM 425 CD GLU A 32 -3.156 1.115 7.848 1.00 31.33 C ATOM 426 OE1 GLU A 32 -2.710 2.271 7.876 1.00 2.33 O ATOM 427 OE2 GLU A 32 -2.440 0.044 7.911 1.00 61.42 O ATOM 0 H GLU A 32 -7.148 0.530 7.456 1.00 31.35 H new ATOM 0 HA GLU A 32 -5.841 -1.101 9.220 1.00 24.21 H new ATOM 0 HB2 GLU A 32 -5.824 1.936 9.213 1.00 51.12 H new ATOM 0 HB3 GLU A 32 -4.585 0.896 9.889 1.00 51.12 H new ATOM 0 HG2 GLU A 32 -4.849 -0.101 7.294 1.00 34.03 H new ATOM 0 HG3 GLU A 32 -5.100 1.617 7.061 1.00 34.03 H new ATOM 435 N ALA A 33 -7.829 0.998 10.816 1.00 40.44 N ATOM 436 CA ALA A 33 -8.538 1.214 12.066 1.00 62.14 C ATOM 437 C ALA A 33 -9.373 -0.025 12.393 1.00 32.34 C ATOM 438 O ALA A 33 -9.347 -0.516 13.521 1.00 2.41 O ATOM 439 CB ALA A 33 -9.390 2.480 11.958 1.00 71.13 C ATOM 0 H ALA A 33 -7.986 1.715 10.108 1.00 40.44 H new ATOM 0 HA ALA A 33 -7.835 1.364 12.885 1.00 62.14 H new ATOM 0 HB1 ALA A 33 -9.922 2.642 12.896 1.00 71.13 H new ATOM 0 HB2 ALA A 33 -8.746 3.335 11.754 1.00 71.13 H new ATOM 0 HB3 ALA A 33 -10.110 2.366 11.148 1.00 71.13 H new ATOM 445 N MET A 34 -10.095 -0.496 11.387 1.00 31.01 N ATOM 446 CA MET A 34 -10.937 -1.669 11.554 1.00 1.42 C ATOM 447 C MET A 34 -10.096 -2.905 11.879 1.00 74.20 C ATOM 448 O MET A 34 -10.634 -3.942 12.264 1.00 73.20 O ATOM 449 CB MET A 34 -11.731 -1.914 10.270 1.00 73.01 C ATOM 450 CG MET A 34 -12.898 -0.931 10.151 1.00 61.24 C ATOM 451 SD MET A 34 -14.379 -1.798 9.658 1.00 24.15 S ATOM 452 CE MET A 34 -15.176 -0.526 8.692 1.00 24.41 C ATOM 0 H MET A 34 -10.114 -0.087 10.453 1.00 31.01 H new ATOM 0 HA MET A 34 -11.620 -1.489 12.384 1.00 1.42 H new ATOM 0 HB2 MET A 34 -11.074 -1.810 9.406 1.00 73.01 H new ATOM 0 HB3 MET A 34 -12.109 -2.936 10.262 1.00 73.01 H new ATOM 0 HG2 MET A 34 -13.061 -0.430 11.105 1.00 61.24 H new ATOM 0 HG3 MET A 34 -12.660 -0.157 9.421 1.00 61.24 H new ATOM 0 HE1 MET A 34 -16.123 -0.903 8.305 1.00 24.41 H new ATOM 0 HE2 MET A 34 -15.361 0.345 9.320 1.00 24.41 H new ATOM 0 HE3 MET A 34 -14.531 -0.243 7.860 1.00 24.41 H new ATOM 462 N ALA A 35 -8.791 -2.754 11.712 1.00 63.52 N ATOM 463 CA ALA A 35 -7.871 -3.846 11.982 1.00 24.13 C ATOM 464 C ALA A 35 -7.132 -3.572 13.294 1.00 13.30 C ATOM 465 O ALA A 35 -6.674 -2.455 13.531 1.00 62.14 O ATOM 466 CB ALA A 35 -6.915 -4.014 10.799 1.00 0.53 C ATOM 0 H ALA A 35 -8.348 -1.892 11.393 1.00 63.52 H new ATOM 0 HA ALA A 35 -8.413 -4.784 12.098 1.00 24.13 H new ATOM 0 HB1 ALA A 35 -6.225 -4.833 11.002 1.00 0.53 H new ATOM 0 HB2 ALA A 35 -7.487 -4.236 9.898 1.00 0.53 H new ATOM 0 HB3 ALA A 35 -6.351 -3.093 10.653 1.00 0.53 H new ATOM 472 N LYS A 36 -7.040 -4.610 14.112 1.00 13.44 N ATOM 473 CA LYS A 36 -6.365 -4.494 15.394 1.00 35.51 C ATOM 474 C LYS A 36 -4.869 -4.751 15.203 1.00 53.13 C ATOM 475 O LYS A 36 -4.477 -5.571 14.374 1.00 55.12 O ATOM 476 CB LYS A 36 -7.019 -5.413 16.428 1.00 15.13 C ATOM 477 CG LYS A 36 -6.597 -5.028 17.848 1.00 74.42 C ATOM 478 CD LYS A 36 -5.584 -6.028 18.408 1.00 4.12 C ATOM 479 CE LYS A 36 -5.436 -5.869 19.923 1.00 53.33 C ATOM 480 NZ LYS A 36 -4.013 -5.698 20.290 1.00 42.52 N ATOM 0 H LYS A 36 -7.421 -5.535 13.912 1.00 13.44 H new ATOM 0 HA LYS A 36 -6.468 -3.483 15.789 1.00 35.51 H new ATOM 0 HB2 LYS A 36 -8.104 -5.354 16.338 1.00 15.13 H new ATOM 0 HB3 LYS A 36 -6.739 -6.447 16.229 1.00 15.13 H new ATOM 0 HG2 LYS A 36 -6.163 -4.028 17.844 1.00 74.42 H new ATOM 0 HG3 LYS A 36 -7.474 -4.992 18.495 1.00 74.42 H new ATOM 0 HD2 LYS A 36 -5.903 -7.044 18.175 1.00 4.12 H new ATOM 0 HD3 LYS A 36 -4.617 -5.880 17.927 1.00 4.12 H new ATOM 0 HE2 LYS A 36 -6.011 -5.007 20.262 1.00 53.33 H new ATOM 0 HE3 LYS A 36 -5.845 -6.744 20.428 1.00 53.33 H new ATOM 0 HZ1 LYS A 36 -3.931 -5.592 21.321 1.00 42.52 H new ATOM 0 HZ2 LYS A 36 -3.473 -6.532 19.984 1.00 42.52 H new ATOM 0 HZ3 LYS A 36 -3.634 -4.850 19.823 1.00 42.52 H new ATOM 493 N GLY A 37 -4.074 -4.034 15.983 1.00 30.32 N ATOM 494 CA GLY A 37 -2.630 -4.174 15.910 1.00 4.11 C ATOM 495 C GLY A 37 -1.934 -3.168 16.830 1.00 51.04 C ATOM 496 O GLY A 37 -1.406 -2.159 16.365 1.00 63.21 O ATOM 0 H GLY A 37 -4.403 -3.354 16.669 1.00 30.32 H new ATOM 0 HA2 GLY A 37 -2.345 -5.188 16.192 1.00 4.11 H new ATOM 0 HA3 GLY A 37 -2.298 -4.023 14.883 1.00 4.11 H new TER 500 GLY A 37