USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 375 hydrogens (6 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 NoAdj-H: A 5 TPO H2 : A 5 TPO N : A 4 LEU C :(H bumps) USER MOD NoAdj-H: A 5 TPO H : A 5 TPO N : A 4 LEU C :(H bumps) USER MOD Set 1.1: B 33 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 35 ASN : amide:sc= 0.824 K(o=0.82,f=-3.8!) USER MOD Single : A 1 GLU N :NH3+ 158:sc= 0.374 (180deg=-0.072!) USER MOD Single : A 2 GLN : amide:sc= 0.667 K(o=0.67,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -113:sc= 0.00756 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.12) USER MOD Single : B 10 MET CE :methyl 139:sc= -0.485 (180deg=-4.03!) USER MOD Single : B 11 SER OG : rot 162:sc= 0.931 USER MOD Single : B 13 SER OG : rot 19:sc= 1.23 USER MOD Single : B 14 SER OG : rot -51:sc= 0.302 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 104:sc= 0.302 USER MOD Single : B 21 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.024) USER MOD Single : B 22 HIS : no HE2:sc= 0.354 K(o=0.35,f=-2.7!) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 37:sc= 0.181 USER MOD Single : B 28 GLN : amide:sc= 0.00162 X(o=0.0016,f=0) USER MOD Single : B 36 SER OG : rot 41:sc= 0.472 USER MOD Single : B 37 SER OG : rot -161:sc= 1.12 USER MOD Single : B 38 SER OG : rot -45:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -53.667 -7.176 42.303 1.00 0.00 N ATOM 2 CA GLU A 1 -53.608 -8.650 42.158 1.00 0.00 C ATOM 3 C GLU A 1 -52.590 -9.352 43.131 1.00 0.00 C ATOM 4 O GLU A 1 -52.724 -9.262 44.354 1.00 0.00 O ATOM 5 CB GLU A 1 -53.486 -8.944 40.608 1.00 0.00 C ATOM 6 CG GLU A 1 -53.752 -10.413 40.092 1.00 0.00 C ATOM 7 CD GLU A 1 -52.685 -11.120 39.234 1.00 0.00 C ATOM 8 OE1 GLU A 1 -52.084 -10.467 38.351 1.00 0.00 O ATOM 9 OE2 GLU A 1 -52.336 -12.270 39.542 1.00 0.00 O ATOM 0 H1 GLU A 1 -54.044 -6.756 41.429 1.00 0.00 H new ATOM 0 H2 GLU A 1 -54.287 -6.930 43.101 1.00 0.00 H new ATOM 0 H3 GLU A 1 -52.711 -6.806 42.480 1.00 0.00 H new ATOM 0 HA GLU A 1 -54.520 -9.133 42.509 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -54.179 -8.281 40.090 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -52.481 -8.661 40.296 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -53.935 -11.038 40.966 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -54.676 -10.394 39.514 1.00 0.00 H new ATOM 18 N GLN A 2 -51.630 -10.120 42.592 1.00 0.00 N ATOM 19 CA GLN A 2 -50.761 -11.051 43.374 1.00 0.00 C ATOM 20 C GLN A 2 -49.218 -10.704 43.406 1.00 0.00 C ATOM 21 O GLN A 2 -48.675 -10.775 44.514 1.00 0.00 O ATOM 22 CB GLN A 2 -51.021 -12.511 42.895 1.00 0.00 C ATOM 23 CG GLN A 2 -52.447 -13.077 43.149 1.00 0.00 C ATOM 24 CD GLN A 2 -52.705 -14.463 42.555 1.00 0.00 C ATOM 25 OE1 GLN A 2 -52.722 -15.472 43.249 1.00 0.00 O ATOM 26 NE2 GLN A 2 -52.936 -14.567 41.271 1.00 0.00 N ATOM 0 H GLN A 2 -51.423 -10.121 41.593 1.00 0.00 H new ATOM 0 HA GLN A 2 -51.053 -10.929 44.417 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -50.819 -12.561 41.825 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -50.301 -13.165 43.386 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -52.618 -13.121 44.225 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -53.177 -12.380 42.738 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -52.925 -13.735 40.682 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -53.127 -15.481 40.860 1.00 0.00 H new ATOM 35 N PRO A 3 -48.441 -10.404 42.311 1.00 0.00 N ATOM 36 CA PRO A 3 -46.952 -10.273 42.398 1.00 0.00 C ATOM 37 C PRO A 3 -46.423 -8.833 42.761 1.00 0.00 C ATOM 38 O PRO A 3 -47.099 -8.059 43.447 1.00 0.00 O ATOM 39 CB PRO A 3 -46.589 -10.852 41.010 1.00 0.00 C ATOM 40 CG PRO A 3 -47.692 -10.364 40.070 1.00 0.00 C ATOM 41 CD PRO A 3 -48.958 -10.348 40.924 1.00 0.00 C ATOM 0 HA PRO A 3 -46.467 -10.789 43.227 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -45.610 -10.504 40.682 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -46.547 -11.941 41.036 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -47.467 -9.372 39.679 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -47.802 -11.028 39.212 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -49.547 -9.447 40.751 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -49.603 -11.198 40.702 1.00 0.00 H new ATOM 49 N LEU A 4 -45.197 -8.460 42.335 1.00 0.00 N ATOM 50 CA LEU A 4 -44.587 -7.124 42.640 1.00 0.00 C ATOM 51 C LEU A 4 -45.173 -5.979 41.730 1.00 0.00 C ATOM 52 O LEU A 4 -44.552 -5.516 40.769 1.00 0.00 O ATOM 53 CB LEU A 4 -43.036 -7.265 42.526 1.00 0.00 C ATOM 54 CG LEU A 4 -42.276 -7.942 43.701 1.00 0.00 C ATOM 55 CD1 LEU A 4 -42.448 -9.470 43.750 1.00 0.00 C ATOM 56 CD2 LEU A 4 -40.773 -7.634 43.595 1.00 0.00 C ATOM 0 H LEU A 4 -44.597 -9.063 41.773 1.00 0.00 H new ATOM 0 HA LEU A 4 -44.842 -6.822 43.656 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -42.818 -7.828 41.619 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -42.619 -6.267 42.390 1.00 0.00 H new ATOM 0 HG LEU A 4 -42.709 -7.531 44.613 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -41.890 -9.872 44.595 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -43.504 -9.714 43.864 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -42.072 -9.908 42.825 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -40.245 -8.111 44.421 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -40.389 -8.017 42.649 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -40.618 -6.556 43.640 1.00 0.00 H new HETATM 68 N TPO A 5 -46.433 -5.600 41.992 1.00 0.00 N HETATM 69 CA TPO A 5 -47.334 -4.966 40.969 1.00 0.00 C HETATM 70 CB TPO A 5 -47.957 -6.058 40.012 1.00 0.00 C HETATM 71 CG2 TPO A 5 -46.940 -6.716 39.058 1.00 0.00 C HETATM 72 OG1 TPO A 5 -48.989 -5.493 39.174 1.00 0.00 O HETATM 73 P TPO A 5 -50.072 -6.369 38.344 1.00 0.00 P HETATM 74 O1P TPO A 5 -49.466 -6.830 37.011 1.00 0.00 O HETATM 75 O2P TPO A 5 -50.444 -7.665 39.086 1.00 0.00 O HETATM 76 O3P TPO A 5 -51.405 -5.531 38.076 1.00 0.00 O HETATM 77 C TPO A 5 -48.416 -4.076 41.703 1.00 0.00 C HETATM 78 O TPO A 5 -49.594 -4.461 41.752 1.00 0.00 O HETATM 0 HG23 TPO A 5 -46.491 -5.953 38.422 1.00 0.00 H new HETATM 0 HG22 TPO A 5 -46.161 -7.208 39.640 1.00 0.00 H new HETATM 0 HG21 TPO A 5 -47.448 -7.453 38.436 1.00 0.00 H new HETATM 0 HB TPO A 5 -48.348 -6.813 40.695 1.00 0.00 H new HETATM 0 HA TPO A 5 -46.758 -4.305 40.321 1.00 0.00 H new ATOM 85 N PRO A 6 -48.097 -2.875 42.284 1.00 0.00 N ATOM 86 CA PRO A 6 -49.106 -2.016 42.972 1.00 0.00 C ATOM 87 C PRO A 6 -49.871 -1.020 42.027 1.00 0.00 C ATOM 88 O PRO A 6 -49.663 0.196 42.057 1.00 0.00 O ATOM 89 CB PRO A 6 -48.204 -1.343 44.027 1.00 0.00 C ATOM 90 CG PRO A 6 -46.864 -1.144 43.313 1.00 0.00 C ATOM 91 CD PRO A 6 -46.708 -2.410 42.478 1.00 0.00 C ATOM 0 HA PRO A 6 -49.955 -2.559 43.387 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -48.622 -0.393 44.359 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -48.093 -1.969 44.912 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -46.872 -0.251 42.688 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -46.045 -1.029 44.023 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -46.218 -2.204 41.526 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -46.104 -3.157 42.993 1.00 0.00 H new ATOM 99 N VAL A 7 -50.796 -1.544 41.216 1.00 0.00 N ATOM 100 CA VAL A 7 -51.564 -0.737 40.201 1.00 0.00 C ATOM 101 C VAL A 7 -52.798 0.111 40.713 1.00 0.00 C ATOM 102 O VAL A 7 -53.549 0.653 39.898 1.00 0.00 O ATOM 103 CB VAL A 7 -51.967 -1.671 38.995 1.00 0.00 C ATOM 104 CG1 VAL A 7 -50.771 -2.181 38.162 1.00 0.00 C ATOM 105 CG2 VAL A 7 -52.865 -2.884 39.352 1.00 0.00 C ATOM 0 H VAL A 7 -51.049 -2.532 41.227 1.00 0.00 H new ATOM 0 HA VAL A 7 -50.869 0.045 39.894 1.00 0.00 H new ATOM 0 HB VAL A 7 -52.562 -0.984 38.394 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -51.135 -2.816 37.354 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -50.232 -1.332 37.742 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -50.101 -2.756 38.801 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -53.080 -3.456 38.449 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -52.348 -3.520 40.070 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -53.799 -2.529 39.788 1.00 0.00 H new ATOM 115 N THR A 8 -53.030 0.237 42.037 1.00 0.00 N ATOM 116 CA THR A 8 -54.400 0.386 42.643 1.00 0.00 C ATOM 117 C THR A 8 -55.145 -0.992 42.586 1.00 0.00 C ATOM 118 O THR A 8 -55.448 -1.472 41.492 1.00 0.00 O ATOM 119 CB THR A 8 -55.269 1.579 42.125 1.00 0.00 C ATOM 120 OG1 THR A 8 -54.483 2.761 42.044 1.00 0.00 O ATOM 121 CG2 THR A 8 -56.475 1.923 43.012 1.00 0.00 C ATOM 0 H THR A 8 -52.281 0.240 42.730 1.00 0.00 H new ATOM 0 HA THR A 8 -54.237 0.676 43.681 1.00 0.00 H new ATOM 0 HB THR A 8 -55.637 1.246 41.155 1.00 0.00 H new ATOM 0 HG1 THR A 8 -55.037 3.500 41.717 1.00 0.00 H new ATOM 0 HG21 THR A 8 -57.020 2.761 42.577 1.00 0.00 H new ATOM 0 HG22 THR A 8 -57.135 1.058 43.081 1.00 0.00 H new ATOM 0 HG23 THR A 8 -56.128 2.195 44.009 1.00 0.00 H new ATOM 129 N ASP A 9 -55.364 -1.658 43.734 1.00 0.00 N ATOM 130 CA ASP A 9 -55.494 -3.146 43.779 1.00 0.00 C ATOM 131 C ASP A 9 -56.860 -3.757 43.275 1.00 0.00 C ATOM 132 O ASP A 9 -57.745 -4.161 44.035 1.00 0.00 O ATOM 133 CB ASP A 9 -55.059 -3.563 45.215 1.00 0.00 C ATOM 134 CG ASP A 9 -54.624 -5.018 45.389 1.00 0.00 C ATOM 135 OD1 ASP A 9 -53.908 -5.556 44.510 1.00 0.00 O ATOM 136 OD2 ASP A 9 -54.937 -5.615 46.436 1.00 0.00 O ATOM 0 H ASP A 9 -55.456 -1.204 44.643 1.00 0.00 H new ATOM 0 HA ASP A 9 -54.841 -3.592 43.029 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -54.236 -2.919 45.525 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -55.889 -3.369 45.895 1.00 0.00 H new ATOM 141 N LEU A 10 -56.984 -3.874 41.948 1.00 0.00 N ATOM 142 CA LEU A 10 -57.470 -5.128 41.308 1.00 0.00 C ATOM 143 C LEU A 10 -56.256 -6.071 40.979 1.00 0.00 C ATOM 144 O LEU A 10 -56.327 -7.285 41.279 1.00 0.00 O ATOM 145 CB LEU A 10 -58.311 -4.703 40.065 1.00 0.00 C ATOM 146 CG LEU A 10 -59.253 -5.720 39.360 1.00 0.00 C ATOM 147 CD1 LEU A 10 -58.506 -6.833 38.609 1.00 0.00 C ATOM 148 CD2 LEU A 10 -60.293 -6.333 40.313 1.00 0.00 C ATOM 149 OXT LEU A 10 -55.192 -5.626 40.478 1.00 0.00 O ATOM 0 H LEU A 10 -56.759 -3.128 41.290 1.00 0.00 H new ATOM 0 HA LEU A 10 -58.109 -5.716 41.967 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -58.924 -3.854 40.367 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -57.611 -4.339 39.313 1.00 0.00 H new ATOM 0 HG LEU A 10 -59.782 -5.123 38.617 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -59.227 -7.504 38.142 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -57.872 -6.391 37.841 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -57.889 -7.394 39.310 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -60.921 -7.034 39.764 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -59.782 -6.858 41.120 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -60.914 -5.541 40.732 1.00 0.00 H new TER 161 LEU A 10 ATOM 162 N LYS B 1 -34.572 15.828 36.345 1.00 0.00 N ATOM 163 CA LYS B 1 -34.585 14.750 37.380 1.00 0.00 C ATOM 164 C LYS B 1 -36.020 14.442 37.942 1.00 0.00 C ATOM 165 O LYS B 1 -36.892 15.313 37.926 1.00 0.00 O ATOM 166 CB LYS B 1 -33.560 15.074 38.514 1.00 0.00 C ATOM 167 CG LYS B 1 -33.844 16.288 39.452 1.00 0.00 C ATOM 168 CD LYS B 1 -32.965 16.332 40.729 1.00 0.00 C ATOM 169 CE LYS B 1 -33.478 15.431 41.876 1.00 0.00 C ATOM 170 NZ LYS B 1 -32.591 15.548 43.072 1.00 0.00 N ATOM 0 H1 LYS B 1 -34.310 15.422 35.424 1.00 0.00 H new ATOM 0 H2 LYS B 1 -35.517 16.256 36.278 1.00 0.00 H new ATOM 0 H3 LYS B 1 -33.880 16.557 36.612 1.00 0.00 H new ATOM 0 HA LYS B 1 -34.273 13.829 36.889 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -33.467 14.186 39.140 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -32.589 15.237 38.046 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -33.692 17.209 38.889 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -34.893 16.265 39.748 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -31.950 16.030 40.470 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -32.911 17.361 41.085 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -34.496 15.716 42.142 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -33.514 14.394 41.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -32.951 14.936 43.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -31.626 15.254 42.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -32.578 16.535 43.399 1.00 0.00 H new ATOM 186 N LEU B 2 -36.240 13.238 38.495 1.00 0.00 N ATOM 187 CA LEU B 2 -37.410 12.956 39.387 1.00 0.00 C ATOM 188 C LEU B 2 -37.264 13.542 40.863 1.00 0.00 C ATOM 189 O LEU B 2 -36.166 13.997 41.220 1.00 0.00 O ATOM 190 CB LEU B 2 -37.628 11.408 39.330 1.00 0.00 C ATOM 191 CG LEU B 2 -36.580 10.571 40.115 1.00 0.00 C ATOM 192 CD1 LEU B 2 -37.163 10.198 41.473 1.00 0.00 C ATOM 193 CD2 LEU B 2 -36.162 9.294 39.373 1.00 0.00 C ATOM 0 H LEU B 2 -35.630 12.434 38.348 1.00 0.00 H new ATOM 0 HA LEU B 2 -38.297 13.481 39.032 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -38.620 11.181 39.721 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -37.616 11.092 38.287 1.00 0.00 H new ATOM 0 HG LEU B 2 -35.686 11.184 40.226 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -36.435 9.610 42.032 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -37.401 11.105 42.029 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -38.071 9.612 41.331 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -35.429 8.750 39.969 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -37.037 8.664 39.211 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -35.723 9.559 38.411 1.00 0.00 H new ATOM 205 N PRO B 3 -38.300 13.530 41.755 1.00 0.00 N ATOM 206 CA PRO B 3 -38.199 14.101 43.132 1.00 0.00 C ATOM 207 C PRO B 3 -37.366 13.393 44.280 1.00 0.00 C ATOM 208 O PRO B 3 -37.072 12.193 44.199 1.00 0.00 O ATOM 209 CB PRO B 3 -39.686 14.356 43.461 1.00 0.00 C ATOM 210 CG PRO B 3 -40.431 14.360 42.138 1.00 0.00 C ATOM 211 CD PRO B 3 -39.700 13.263 41.374 1.00 0.00 C ATOM 0 HA PRO B 3 -37.539 14.968 43.112 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -40.075 13.581 44.122 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -39.810 15.307 43.978 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -41.490 14.136 42.263 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -40.366 15.324 41.634 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -40.025 12.267 41.674 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -39.855 13.338 40.298 1.00 0.00 H new ATOM 219 N PRO B 4 -36.935 14.099 45.375 1.00 0.00 N ATOM 220 CA PRO B 4 -36.073 13.503 46.434 1.00 0.00 C ATOM 221 C PRO B 4 -36.798 12.481 47.375 1.00 0.00 C ATOM 222 O PRO B 4 -37.948 12.673 47.780 1.00 0.00 O ATOM 223 CB PRO B 4 -35.568 14.767 47.157 1.00 0.00 C ATOM 224 CG PRO B 4 -36.713 15.776 47.042 1.00 0.00 C ATOM 225 CD PRO B 4 -37.369 15.477 45.693 1.00 0.00 C ATOM 0 HA PRO B 4 -35.279 12.871 46.035 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -35.331 14.557 48.200 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -34.658 15.149 46.694 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -37.424 15.662 47.861 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -36.342 16.800 47.082 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -38.455 15.548 45.754 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -37.046 16.183 44.928 1.00 0.00 H new ATOM 233 N GLY B 5 -36.107 11.379 47.696 1.00 0.00 N ATOM 234 CA GLY B 5 -36.746 10.216 48.380 1.00 0.00 C ATOM 235 C GLY B 5 -37.431 9.113 47.531 1.00 0.00 C ATOM 236 O GLY B 5 -37.931 8.152 48.120 1.00 0.00 O ATOM 0 H GLY B 5 -35.113 11.256 47.501 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -35.980 9.733 48.987 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -37.494 10.612 49.067 1.00 0.00 H new ATOM 240 N TRP B 6 -37.463 9.202 46.195 1.00 0.00 N ATOM 241 CA TRP B 6 -38.009 8.176 45.300 1.00 0.00 C ATOM 242 C TRP B 6 -36.930 7.216 44.725 1.00 0.00 C ATOM 243 O TRP B 6 -35.780 7.620 44.520 1.00 0.00 O ATOM 244 CB TRP B 6 -38.542 9.082 44.164 1.00 0.00 C ATOM 245 CG TRP B 6 -39.950 9.623 44.311 1.00 0.00 C ATOM 246 CD1 TRP B 6 -40.290 10.953 44.588 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.122 8.924 44.284 1.00 0.00 C ATOM 248 NE1 TRP B 6 -41.667 11.117 44.776 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.162 9.828 44.628 1.00 0.00 C ATOM 250 CE3 TRP B 6 -41.406 7.590 43.886 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -43.492 9.379 44.677 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -42.741 7.172 43.978 1.00 0.00 C ATOM 253 CH2 TRP B 6 -43.762 8.037 44.399 1.00 0.00 C ATOM 0 H TRP B 6 -37.099 10.013 45.694 1.00 0.00 H new ATOM 0 HA TRP B 6 -38.724 7.515 45.789 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -37.864 9.929 44.062 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -38.492 8.519 43.232 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -39.573 11.758 44.649 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -42.182 11.975 44.974 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -40.630 6.929 43.529 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -44.293 10.060 44.925 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -42.991 6.154 43.717 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -44.768 7.661 44.509 1.00 0.00 H new ATOM 264 N GLU B 7 -37.332 6.000 44.301 1.00 0.00 N ATOM 265 CA GLU B 7 -36.710 5.358 43.129 1.00 0.00 C ATOM 266 C GLU B 7 -37.732 4.411 42.399 1.00 0.00 C ATOM 267 O GLU B 7 -38.952 4.608 42.414 1.00 0.00 O ATOM 268 CB GLU B 7 -35.332 4.750 43.593 1.00 0.00 C ATOM 269 CG GLU B 7 -34.172 4.737 42.562 1.00 0.00 C ATOM 270 CD GLU B 7 -33.981 3.464 41.781 1.00 0.00 C ATOM 271 OE1 GLU B 7 -33.521 2.462 42.359 1.00 0.00 O ATOM 272 OE2 GLU B 7 -34.328 3.437 40.590 1.00 0.00 O ATOM 0 H GLU B 7 -38.070 5.453 44.744 1.00 0.00 H new ATOM 0 HA GLU B 7 -36.459 6.060 42.334 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -34.997 5.305 44.469 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.508 3.723 43.914 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -34.335 5.550 41.855 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.244 4.956 43.090 1.00 0.00 H new ATOM 279 N LYS B 8 -37.214 3.422 41.673 1.00 0.00 N ATOM 280 CA LYS B 8 -37.982 2.580 40.712 1.00 0.00 C ATOM 281 C LYS B 8 -37.450 1.103 40.632 1.00 0.00 C ATOM 282 O LYS B 8 -36.277 0.821 40.367 1.00 0.00 O ATOM 283 CB LYS B 8 -38.229 3.333 39.366 1.00 0.00 C ATOM 284 CG LYS B 8 -37.024 3.847 38.540 1.00 0.00 C ATOM 285 CD LYS B 8 -36.478 2.834 37.509 1.00 0.00 C ATOM 286 CE LYS B 8 -35.058 3.168 36.996 1.00 0.00 C ATOM 287 NZ LYS B 8 -34.099 2.716 38.059 1.00 0.00 N ATOM 0 H LYS B 8 -36.228 3.165 41.726 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.989 2.425 41.100 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -38.805 2.668 38.722 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -38.863 4.192 39.585 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -37.319 4.756 38.016 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -36.220 4.120 39.224 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.467 1.842 37.960 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -37.160 2.791 36.660 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.858 2.660 36.053 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -34.955 4.237 36.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.123 2.859 37.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -34.256 3.269 38.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.253 1.707 38.259 1.00 0.00 H new ATOM 301 N ARG B 9 -38.342 0.153 40.945 1.00 0.00 N ATOM 302 CA ARG B 9 -38.061 -1.269 41.192 1.00 0.00 C ATOM 303 C ARG B 9 -38.752 -2.073 40.050 1.00 0.00 C ATOM 304 O ARG B 9 -39.809 -1.711 39.536 1.00 0.00 O ATOM 305 CB ARG B 9 -38.719 -1.612 42.564 1.00 0.00 C ATOM 306 CG ARG B 9 -38.201 -0.875 43.818 1.00 0.00 C ATOM 307 CD ARG B 9 -36.881 -1.436 44.368 1.00 0.00 C ATOM 308 NE ARG B 9 -36.059 -0.348 44.970 1.00 0.00 N ATOM 309 CZ ARG B 9 -35.188 0.403 44.273 1.00 0.00 C ATOM 310 NH1 ARG B 9 -34.903 0.227 43.016 1.00 0.00 N ATOM 311 NH2 ARG B 9 -34.592 1.391 44.846 1.00 0.00 N ATOM 0 H ARG B 9 -39.335 0.368 41.038 1.00 0.00 H new ATOM 0 HA ARG B 9 -36.996 -1.502 41.213 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -39.788 -1.418 42.480 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -38.602 -2.682 42.733 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -38.064 0.179 43.577 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.960 -0.928 44.598 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -37.088 -2.200 45.118 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -36.323 -1.920 43.566 1.00 0.00 H new ATOM 0 HE ARG B 9 -36.163 -0.163 45.968 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -35.353 -0.523 42.491 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -34.230 0.839 42.555 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -34.781 1.602 45.826 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -33.931 1.962 44.320 1.00 0.00 H new ATOM 325 N MET B 10 -38.166 -3.196 39.679 1.00 0.00 N ATOM 326 CA MET B 10 -38.756 -4.119 38.657 1.00 0.00 C ATOM 327 C MET B 10 -40.150 -4.776 39.026 1.00 0.00 C ATOM 328 O MET B 10 -40.548 -4.848 40.189 1.00 0.00 O ATOM 329 CB MET B 10 -37.643 -5.075 38.135 1.00 0.00 C ATOM 330 CG MET B 10 -37.268 -6.332 38.952 1.00 0.00 C ATOM 331 SD MET B 10 -36.672 -5.960 40.614 1.00 0.00 S ATOM 332 CE MET B 10 -38.219 -6.029 41.531 1.00 0.00 C ATOM 0 H MET B 10 -37.275 -3.516 40.058 1.00 0.00 H new ATOM 0 HA MET B 10 -39.090 -3.518 37.811 1.00 0.00 H new ATOM 0 HB2 MET B 10 -37.941 -5.409 37.141 1.00 0.00 H new ATOM 0 HB3 MET B 10 -36.736 -4.483 38.014 1.00 0.00 H new ATOM 0 HG2 MET B 10 -38.140 -6.982 39.024 1.00 0.00 H new ATOM 0 HG3 MET B 10 -36.500 -6.888 38.415 1.00 0.00 H new ATOM 0 HE1 MET B 10 -38.055 -6.533 42.484 1.00 0.00 H new ATOM 0 HE2 MET B 10 -38.579 -5.017 41.713 1.00 0.00 H new ATOM 0 HE3 MET B 10 -38.961 -6.580 40.952 1.00 0.00 H new ATOM 342 N SER B 11 -40.919 -5.208 38.021 1.00 0.00 N ATOM 343 CA SER B 11 -42.323 -5.715 38.214 1.00 0.00 C ATOM 344 C SER B 11 -42.596 -7.153 37.656 1.00 0.00 C ATOM 345 O SER B 11 -41.859 -7.674 36.814 1.00 0.00 O ATOM 346 CB SER B 11 -43.331 -4.650 37.712 1.00 0.00 C ATOM 347 OG SER B 11 -43.645 -4.752 36.323 1.00 0.00 O ATOM 0 H SER B 11 -40.608 -5.225 37.050 1.00 0.00 H new ATOM 0 HA SER B 11 -42.466 -5.855 39.285 1.00 0.00 H new ATOM 0 HB2 SER B 11 -44.252 -4.737 38.289 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.924 -3.658 37.909 1.00 0.00 H new ATOM 0 HG SER B 11 -44.470 -4.257 36.137 1.00 0.00 H new ATOM 353 N ARG B 12 -43.658 -7.820 38.161 1.00 0.00 N ATOM 354 CA ARG B 12 -43.935 -9.277 37.945 1.00 0.00 C ATOM 355 C ARG B 12 -42.848 -10.218 38.579 1.00 0.00 C ATOM 356 O ARG B 12 -43.000 -10.660 39.721 1.00 0.00 O ATOM 357 CB ARG B 12 -44.378 -9.591 36.477 1.00 0.00 C ATOM 358 CG ARG B 12 -45.800 -9.105 36.081 1.00 0.00 C ATOM 359 CD ARG B 12 -46.853 -10.232 36.038 1.00 0.00 C ATOM 360 NE ARG B 12 -48.201 -9.633 35.840 1.00 0.00 N ATOM 361 CZ ARG B 12 -49.327 -10.069 36.436 1.00 0.00 C ATOM 362 NH1 ARG B 12 -49.514 -11.263 36.913 1.00 0.00 N ATOM 363 NH2 ARG B 12 -50.316 -9.264 36.582 1.00 0.00 N ATOM 0 H ARG B 12 -44.363 -7.364 38.740 1.00 0.00 H new ATOM 0 HA ARG B 12 -44.820 -9.534 38.527 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -43.657 -9.139 35.796 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -44.328 -10.669 36.325 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -46.125 -8.344 36.791 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -45.751 -8.628 35.102 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -46.628 -10.926 35.228 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -46.829 -10.805 36.965 1.00 0.00 H new ATOM 0 HE ARG B 12 -48.277 -8.836 35.208 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -48.771 -11.959 36.851 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -50.404 -11.504 37.349 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -50.245 -8.303 36.248 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -51.173 -9.585 37.032 1.00 0.00 H new ATOM 377 N SER B 13 -41.762 -10.504 37.848 1.00 0.00 N ATOM 378 CA SER B 13 -40.515 -11.126 38.391 1.00 0.00 C ATOM 379 C SER B 13 -39.374 -10.846 37.360 1.00 0.00 C ATOM 380 O SER B 13 -39.190 -11.599 36.400 1.00 0.00 O ATOM 381 CB SER B 13 -40.693 -12.637 38.688 1.00 0.00 C ATOM 382 OG SER B 13 -41.470 -12.838 39.869 1.00 0.00 O ATOM 0 H SER B 13 -41.710 -10.313 36.847 1.00 0.00 H new ATOM 0 HA SER B 13 -40.261 -10.685 39.355 1.00 0.00 H new ATOM 0 HB2 SER B 13 -41.179 -13.123 37.842 1.00 0.00 H new ATOM 0 HB3 SER B 13 -39.716 -13.106 38.807 1.00 0.00 H new ATOM 0 HG SER B 13 -41.979 -12.024 40.068 1.00 0.00 H new ATOM 388 N SER B 14 -38.658 -9.711 37.508 1.00 0.00 N ATOM 389 CA SER B 14 -37.768 -9.148 36.436 1.00 0.00 C ATOM 390 C SER B 14 -38.437 -8.853 35.038 1.00 0.00 C ATOM 391 O SER B 14 -37.911 -9.222 33.983 1.00 0.00 O ATOM 392 CB SER B 14 -36.445 -9.956 36.375 1.00 0.00 C ATOM 393 OG SER B 14 -35.525 -9.353 35.465 1.00 0.00 O ATOM 0 H SER B 14 -38.671 -9.153 38.362 1.00 0.00 H new ATOM 0 HA SER B 14 -37.533 -8.128 36.741 1.00 0.00 H new ATOM 0 HB2 SER B 14 -35.999 -10.009 37.368 1.00 0.00 H new ATOM 0 HB3 SER B 14 -36.653 -10.980 36.064 1.00 0.00 H new ATOM 0 HG SER B 14 -35.969 -9.198 34.605 1.00 0.00 H new ATOM 399 N GLY B 15 -39.583 -8.149 35.036 1.00 0.00 N ATOM 400 CA GLY B 15 -40.422 -7.967 33.821 1.00 0.00 C ATOM 401 C GLY B 15 -40.547 -6.512 33.340 1.00 0.00 C ATOM 402 O GLY B 15 -39.960 -6.148 32.318 1.00 0.00 O ATOM 0 H GLY B 15 -39.958 -7.690 35.866 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -40.004 -8.568 33.014 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -41.420 -8.356 34.023 1.00 0.00 H new ATOM 406 N ARG B 16 -41.396 -5.699 33.990 1.00 0.00 N ATOM 407 CA ARG B 16 -41.457 -4.229 33.726 1.00 0.00 C ATOM 408 C ARG B 16 -40.978 -3.449 35.000 1.00 0.00 C ATOM 409 O ARG B 16 -39.925 -3.780 35.550 1.00 0.00 O ATOM 410 CB ARG B 16 -42.843 -3.889 33.078 1.00 0.00 C ATOM 411 CG ARG B 16 -42.955 -4.125 31.549 1.00 0.00 C ATOM 412 CD ARG B 16 -43.188 -5.591 31.129 1.00 0.00 C ATOM 413 NE ARG B 16 -43.080 -5.745 29.649 1.00 0.00 N ATOM 414 CZ ARG B 16 -41.963 -6.027 28.977 1.00 0.00 C ATOM 415 NH1 ARG B 16 -40.787 -6.160 29.529 1.00 0.00 N ATOM 416 NH2 ARG B 16 -42.046 -6.175 27.693 1.00 0.00 N ATOM 0 H ARG B 16 -42.052 -6.021 34.701 1.00 0.00 H new ATOM 0 HA ARG B 16 -40.752 -3.876 32.973 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -43.610 -4.484 33.575 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -43.070 -2.843 33.282 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -43.774 -3.518 31.162 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -42.041 -3.768 31.074 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -42.458 -6.234 31.620 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -44.174 -5.916 31.461 1.00 0.00 H new ATOM 0 HE ARG B 16 -43.934 -5.624 29.104 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -40.681 -6.047 30.537 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -39.974 -6.377 28.952 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -42.947 -6.075 27.225 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -41.210 -6.391 27.149 1.00 0.00 H new ATOM 430 N VAL B 17 -41.677 -2.396 35.446 1.00 0.00 N ATOM 431 CA VAL B 17 -41.167 -1.461 36.500 1.00 0.00 C ATOM 432 C VAL B 17 -42.335 -0.808 37.315 1.00 0.00 C ATOM 433 O VAL B 17 -43.180 -0.108 36.753 1.00 0.00 O ATOM 434 CB VAL B 17 -40.149 -0.422 35.897 1.00 0.00 C ATOM 435 CG1 VAL B 17 -40.665 0.372 34.677 1.00 0.00 C ATOM 436 CG2 VAL B 17 -39.616 0.598 36.927 1.00 0.00 C ATOM 0 H VAL B 17 -42.606 -2.156 35.100 1.00 0.00 H new ATOM 0 HA VAL B 17 -40.602 -2.043 37.228 1.00 0.00 H new ATOM 0 HB VAL B 17 -39.342 -1.076 35.567 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -39.891 1.060 34.337 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -40.915 -0.319 33.872 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -41.553 0.937 34.960 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -38.921 1.280 36.437 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -40.449 1.165 37.342 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -39.101 0.070 37.730 1.00 0.00 H new ATOM 446 N TYR B 18 -42.310 -0.956 38.651 1.00 0.00 N ATOM 447 CA TYR B 18 -43.065 -0.067 39.574 1.00 0.00 C ATOM 448 C TYR B 18 -42.128 1.042 40.191 1.00 0.00 C ATOM 449 O TYR B 18 -40.904 1.054 40.011 1.00 0.00 O ATOM 450 CB TYR B 18 -43.863 -0.972 40.561 1.00 0.00 C ATOM 451 CG TYR B 18 -43.137 -1.555 41.786 1.00 0.00 C ATOM 452 CD1 TYR B 18 -42.518 -2.803 41.709 1.00 0.00 C ATOM 453 CD2 TYR B 18 -43.139 -0.863 43.003 1.00 0.00 C ATOM 454 CE1 TYR B 18 -41.894 -3.349 42.829 1.00 0.00 C ATOM 455 CE2 TYR B 18 -42.527 -1.417 44.127 1.00 0.00 C ATOM 456 CZ TYR B 18 -41.904 -2.658 44.037 1.00 0.00 C ATOM 457 OH TYR B 18 -41.295 -3.200 45.136 1.00 0.00 O ATOM 0 H TYR B 18 -41.775 -1.684 39.125 1.00 0.00 H new ATOM 0 HA TYR B 18 -43.814 0.537 39.061 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -44.712 -0.394 40.925 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -44.268 -1.807 39.989 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.522 -3.349 40.777 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.616 0.103 43.072 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -41.403 -4.308 42.760 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -42.537 -0.884 45.066 1.00 0.00 H new ATOM 0 HH TYR B 18 -41.392 -2.591 45.897 1.00 0.00 H new ATOM 467 N TYR B 19 -42.705 2.016 40.907 1.00 0.00 N ATOM 468 CA TYR B 19 -41.986 3.242 41.362 1.00 0.00 C ATOM 469 C TYR B 19 -42.347 3.561 42.854 1.00 0.00 C ATOM 470 O TYR B 19 -43.525 3.673 43.202 1.00 0.00 O ATOM 471 CB TYR B 19 -42.130 4.325 40.243 1.00 0.00 C ATOM 472 CG TYR B 19 -42.743 5.674 40.529 1.00 0.00 C ATOM 473 CD1 TYR B 19 -44.135 5.774 40.541 1.00 0.00 C ATOM 474 CD2 TYR B 19 -41.963 6.819 40.685 1.00 0.00 C ATOM 475 CE1 TYR B 19 -44.741 6.994 40.771 1.00 0.00 C ATOM 476 CE2 TYR B 19 -42.584 8.029 40.979 1.00 0.00 C ATOM 477 CZ TYR B 19 -43.976 8.095 41.076 1.00 0.00 C ATOM 478 OH TYR B 19 -44.640 9.194 41.523 1.00 0.00 O ATOM 0 H TYR B 19 -43.683 1.988 41.194 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.905 3.142 41.455 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -41.131 4.508 39.848 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.713 3.875 39.439 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -44.740 4.896 40.370 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -40.889 6.767 40.579 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -45.816 7.083 40.711 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -41.990 8.918 41.132 1.00 0.00 H new ATOM 0 HH TYR B 19 -44.519 9.278 42.492 1.00 0.00 H new ATOM 488 N PHE B 20 -41.340 3.621 43.745 1.00 0.00 N ATOM 489 CA PHE B 20 -41.535 3.607 45.223 1.00 0.00 C ATOM 490 C PHE B 20 -40.868 4.825 45.939 1.00 0.00 C ATOM 491 O PHE B 20 -39.666 5.070 45.800 1.00 0.00 O ATOM 492 CB PHE B 20 -41.020 2.225 45.737 1.00 0.00 C ATOM 493 CG PHE B 20 -40.958 2.000 47.269 1.00 0.00 C ATOM 494 CD1 PHE B 20 -42.027 2.312 48.099 1.00 0.00 C ATOM 495 CD2 PHE B 20 -39.783 1.531 47.838 1.00 0.00 C ATOM 496 CE1 PHE B 20 -41.923 2.170 49.478 1.00 0.00 C ATOM 497 CE2 PHE B 20 -39.669 1.389 49.217 1.00 0.00 C ATOM 498 CZ PHE B 20 -40.741 1.689 50.094 1.00 0.00 C ATOM 0 H PHE B 20 -40.360 3.681 43.468 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.591 3.721 45.466 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.658 1.451 45.311 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -40.019 2.070 45.335 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -42.950 2.669 47.668 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -38.948 1.273 47.204 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -42.767 2.434 50.098 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -38.735 1.040 49.632 1.00 0.00 H new ATOM 0 HZ PHE B 20 -40.662 1.559 51.163 1.00 0.00 H new ATOM 508 N ASN B 21 -41.638 5.528 46.786 1.00 0.00 N ATOM 509 CA ASN B 21 -41.095 6.553 47.711 1.00 0.00 C ATOM 510 C ASN B 21 -40.534 5.879 49.013 1.00 0.00 C ATOM 511 O ASN B 21 -41.280 5.601 49.955 1.00 0.00 O ATOM 512 CB ASN B 21 -42.212 7.611 47.971 1.00 0.00 C ATOM 513 CG ASN B 21 -41.848 9.051 48.339 1.00 0.00 C ATOM 514 OD1 ASN B 21 -42.633 9.971 48.156 1.00 0.00 O ATOM 515 ND2 ASN B 21 -40.715 9.321 48.923 1.00 0.00 N ATOM 0 H ASN B 21 -42.649 5.408 46.854 1.00 0.00 H new ATOM 0 HA ASN B 21 -40.243 7.073 47.273 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -42.829 7.655 47.073 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -42.842 7.224 48.772 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -40.505 10.276 49.212 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -40.038 8.577 49.091 1.00 0.00 H new ATOM 522 N HIS B 22 -39.209 5.655 49.068 1.00 0.00 N ATOM 523 CA HIS B 22 -38.513 5.077 50.263 1.00 0.00 C ATOM 524 C HIS B 22 -38.630 5.847 51.630 1.00 0.00 C ATOM 525 O HIS B 22 -38.512 5.228 52.688 1.00 0.00 O ATOM 526 CB HIS B 22 -37.011 4.899 49.873 1.00 0.00 C ATOM 527 CG HIS B 22 -36.649 3.603 49.155 1.00 0.00 C ATOM 528 ND1 HIS B 22 -36.136 2.512 49.821 1.00 0.00 N ATOM 529 CD2 HIS B 22 -36.663 3.352 47.770 1.00 0.00 C ATOM 530 CE1 HIS B 22 -35.874 1.679 48.772 1.00 0.00 C ATOM 531 NE2 HIS B 22 -36.162 2.079 47.490 1.00 0.00 N ATOM 0 H HIS B 22 -38.579 5.865 48.294 1.00 0.00 H new ATOM 0 HA HIS B 22 -39.032 4.144 50.481 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -36.721 5.735 49.237 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -36.411 4.966 50.781 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -35.992 2.367 50.820 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -37.014 4.050 47.024 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -35.440 0.706 48.950 1.00 0.00 H new ATOM 539 N ILE B 23 -38.814 7.175 51.604 1.00 0.00 N ATOM 540 CA ILE B 23 -38.959 8.019 52.834 1.00 0.00 C ATOM 541 C ILE B 23 -40.459 8.140 53.287 1.00 0.00 C ATOM 542 O ILE B 23 -40.762 7.919 54.461 1.00 0.00 O ATOM 543 CB ILE B 23 -38.231 9.404 52.636 1.00 0.00 C ATOM 544 CG1 ILE B 23 -36.779 9.346 52.065 1.00 0.00 C ATOM 545 CG2 ILE B 23 -38.230 10.273 53.920 1.00 0.00 C ATOM 546 CD1 ILE B 23 -35.766 8.474 52.832 1.00 0.00 C ATOM 0 H ILE B 23 -38.869 7.709 50.737 1.00 0.00 H new ATOM 0 HA ILE B 23 -38.458 7.523 53.666 1.00 0.00 H new ATOM 0 HB ILE B 23 -38.846 9.869 51.865 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -36.832 8.983 51.039 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -36.389 10.363 52.024 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -37.715 11.213 53.723 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -39.257 10.478 54.221 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -37.717 9.739 54.720 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -34.797 8.519 52.334 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -35.667 8.844 53.853 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -36.116 7.442 52.852 1.00 0.00 H new ATOM 558 N THR B 24 -41.389 8.500 52.380 1.00 0.00 N ATOM 559 CA THR B 24 -42.839 8.645 52.703 1.00 0.00 C ATOM 560 C THR B 24 -43.586 7.271 52.854 1.00 0.00 C ATOM 561 O THR B 24 -44.059 6.964 53.949 1.00 0.00 O ATOM 562 CB THR B 24 -43.481 9.609 51.648 1.00 0.00 C ATOM 563 OG1 THR B 24 -42.822 10.871 51.631 1.00 0.00 O ATOM 564 CG2 THR B 24 -44.965 9.923 51.867 1.00 0.00 C ATOM 0 H THR B 24 -41.167 8.700 51.405 1.00 0.00 H new ATOM 0 HA THR B 24 -42.947 9.089 53.693 1.00 0.00 H new ATOM 0 HB THR B 24 -43.370 9.057 50.715 1.00 0.00 H new ATOM 0 HG1 THR B 24 -43.243 11.451 50.962 1.00 0.00 H new ATOM 0 HG21 THR B 24 -45.314 10.597 51.085 1.00 0.00 H new ATOM 0 HG22 THR B 24 -45.541 8.999 51.833 1.00 0.00 H new ATOM 0 HG23 THR B 24 -45.097 10.397 52.840 1.00 0.00 H new ATOM 572 N ASN B 25 -43.752 6.509 51.751 1.00 0.00 N ATOM 573 CA ASN B 25 -44.567 5.243 51.662 1.00 0.00 C ATOM 574 C ASN B 25 -44.939 4.801 50.196 1.00 0.00 C ATOM 575 O ASN B 25 -45.064 3.600 49.945 1.00 0.00 O ATOM 576 CB ASN B 25 -45.844 5.134 52.563 1.00 0.00 C ATOM 577 CG ASN B 25 -46.921 6.213 52.392 1.00 0.00 C ATOM 578 OD1 ASN B 25 -47.595 6.315 51.375 1.00 0.00 O ATOM 579 ND2 ASN B 25 -47.125 7.051 53.373 1.00 0.00 N ATOM 0 H ASN B 25 -43.315 6.752 50.862 1.00 0.00 H new ATOM 0 HA ASN B 25 -43.841 4.548 52.083 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -46.306 4.164 52.377 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -45.523 5.140 53.605 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -47.837 7.776 53.285 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -46.572 6.980 54.227 1.00 0.00 H new ATOM 586 N ALA B 26 -45.212 5.732 49.261 1.00 0.00 N ATOM 587 CA ALA B 26 -46.008 5.439 48.041 1.00 0.00 C ATOM 588 C ALA B 26 -45.326 4.557 46.935 1.00 0.00 C ATOM 589 O ALA B 26 -44.576 5.049 46.087 1.00 0.00 O ATOM 590 CB ALA B 26 -46.443 6.823 47.514 1.00 0.00 C ATOM 0 H ALA B 26 -44.894 6.699 49.323 1.00 0.00 H new ATOM 0 HA ALA B 26 -46.843 4.793 48.314 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -47.038 6.697 46.610 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -47.038 7.331 48.273 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -45.560 7.420 47.287 1.00 0.00 H new ATOM 596 N SER B 27 -45.646 3.253 46.919 1.00 0.00 N ATOM 597 CA SER B 27 -45.400 2.364 45.750 1.00 0.00 C ATOM 598 C SER B 27 -46.605 2.341 44.770 1.00 0.00 C ATOM 599 O SER B 27 -47.709 1.891 45.092 1.00 0.00 O ATOM 600 CB SER B 27 -45.062 0.939 46.223 1.00 0.00 C ATOM 601 OG SER B 27 -46.132 0.332 46.955 1.00 0.00 O ATOM 0 H SER B 27 -46.082 2.777 47.709 1.00 0.00 H new ATOM 0 HA SER B 27 -44.548 2.770 45.205 1.00 0.00 H new ATOM 0 HB2 SER B 27 -44.822 0.321 45.358 1.00 0.00 H new ATOM 0 HB3 SER B 27 -44.170 0.970 46.849 1.00 0.00 H new ATOM 0 HG SER B 27 -46.990 0.600 46.564 1.00 0.00 H new ATOM 607 N GLN B 28 -46.323 2.822 43.569 1.00 0.00 N ATOM 608 CA GLN B 28 -47.280 2.892 42.429 1.00 0.00 C ATOM 609 C GLN B 28 -46.494 2.601 41.088 1.00 0.00 C ATOM 610 O GLN B 28 -45.506 1.860 41.103 1.00 0.00 O ATOM 611 CB GLN B 28 -48.113 4.202 42.593 1.00 0.00 C ATOM 612 CG GLN B 28 -47.332 5.527 42.442 1.00 0.00 C ATOM 613 CD GLN B 28 -48.160 6.798 42.599 1.00 0.00 C ATOM 614 OE1 GLN B 28 -48.516 7.217 43.694 1.00 0.00 O ATOM 615 NE2 GLN B 28 -48.482 7.467 41.522 1.00 0.00 N ATOM 0 H GLN B 28 -45.401 3.190 43.334 1.00 0.00 H new ATOM 0 HA GLN B 28 -48.049 2.120 42.401 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.917 4.192 41.857 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.581 4.190 43.577 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -46.531 5.543 43.181 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -46.860 5.541 41.460 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -48.191 7.128 40.605 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -49.024 8.328 41.599 1.00 0.00 H new ATOM 624 N TRP B 29 -46.895 3.120 39.921 1.00 0.00 N ATOM 625 CA TRP B 29 -46.168 2.930 38.612 1.00 0.00 C ATOM 626 C TRP B 29 -45.870 4.253 37.798 1.00 0.00 C ATOM 627 O TRP B 29 -45.027 4.241 36.897 1.00 0.00 O ATOM 628 CB TRP B 29 -46.996 1.922 37.753 1.00 0.00 C ATOM 629 CG TRP B 29 -46.890 0.433 38.087 1.00 0.00 C ATOM 630 CD1 TRP B 29 -47.487 -0.159 39.206 1.00 0.00 C ATOM 631 CD2 TRP B 29 -46.519 -0.624 37.259 1.00 0.00 C ATOM 632 NE1 TRP B 29 -47.490 -1.554 39.117 1.00 0.00 N ATOM 633 CE2 TRP B 29 -46.899 -1.824 37.904 1.00 0.00 C ATOM 634 CE3 TRP B 29 -46.049 -0.655 35.917 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -46.850 -3.054 37.209 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -45.959 -1.888 35.266 1.00 0.00 C ATOM 637 CH2 TRP B 29 -46.366 -3.069 35.899 1.00 0.00 C ATOM 0 H TRP B 29 -47.736 3.691 39.834 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.175 2.548 38.850 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -48.046 2.206 37.826 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -46.702 2.052 36.711 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -47.896 0.395 40.038 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -47.850 -2.222 39.799 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -45.767 0.257 35.411 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -47.181 -3.966 37.683 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -45.570 -1.931 34.260 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -46.305 -4.006 35.366 1.00 0.00 H new ATOM 648 N GLU B 30 -46.543 5.384 38.075 1.00 0.00 N ATOM 649 CA GLU B 30 -46.946 6.364 37.022 1.00 0.00 C ATOM 650 C GLU B 30 -46.140 7.675 36.791 1.00 0.00 C ATOM 651 O GLU B 30 -46.162 8.260 35.704 1.00 0.00 O ATOM 652 CB GLU B 30 -48.398 6.812 37.360 1.00 0.00 C ATOM 653 CG GLU B 30 -49.541 5.774 37.453 1.00 0.00 C ATOM 654 CD GLU B 30 -49.551 4.783 38.599 1.00 0.00 C ATOM 655 OE1 GLU B 30 -48.996 5.105 39.667 1.00 0.00 O ATOM 656 OE2 GLU B 30 -50.074 3.667 38.432 1.00 0.00 O ATOM 0 H GLU B 30 -46.825 5.652 39.018 1.00 0.00 H new ATOM 0 HA GLU B 30 -46.774 5.801 36.104 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -48.359 7.333 38.317 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -48.691 7.546 36.609 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -50.481 6.324 37.488 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -49.540 5.202 36.525 1.00 0.00 H new ATOM 663 N ARG B 31 -45.461 8.107 37.848 1.00 0.00 N ATOM 664 CA ARG B 31 -44.546 9.279 37.927 1.00 0.00 C ATOM 665 C ARG B 31 -45.198 10.567 38.540 1.00 0.00 C ATOM 666 O ARG B 31 -46.320 10.903 38.153 1.00 0.00 O ATOM 667 CB ARG B 31 -43.729 9.447 36.630 1.00 0.00 C ATOM 668 CG ARG B 31 -42.292 9.953 36.781 1.00 0.00 C ATOM 669 CD ARG B 31 -41.467 9.590 35.548 1.00 0.00 C ATOM 670 NE ARG B 31 -41.823 10.486 34.408 1.00 0.00 N ATOM 671 CZ ARG B 31 -41.439 10.328 33.149 1.00 0.00 C ATOM 672 NH1 ARG B 31 -40.610 9.401 32.760 1.00 0.00 N ATOM 673 NH2 ARG B 31 -41.909 11.131 32.255 1.00 0.00 N ATOM 0 H ARG B 31 -45.529 7.625 38.744 1.00 0.00 H new ATOM 0 HA ARG B 31 -43.793 9.064 38.685 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -43.698 8.484 36.120 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -44.265 10.136 35.977 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -42.293 11.034 36.920 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -41.838 9.518 37.671 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -40.404 9.680 35.773 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -41.648 8.551 35.274 1.00 0.00 H new ATOM 0 HE ARG B 31 -42.414 11.291 34.616 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -40.220 8.748 33.439 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -40.351 9.329 31.776 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -42.561 11.868 32.524 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -41.628 11.029 31.280 1.00 0.00 H new ATOM 687 N PRO B 32 -44.566 11.329 39.496 1.00 0.00 N ATOM 688 CA PRO B 32 -45.207 12.524 40.134 1.00 0.00 C ATOM 689 C PRO B 32 -45.422 13.708 39.110 1.00 0.00 C ATOM 690 O PRO B 32 -46.484 14.320 39.010 1.00 0.00 O ATOM 691 CB PRO B 32 -44.201 12.876 41.280 1.00 0.00 C ATOM 692 CG PRO B 32 -43.098 11.827 41.239 1.00 0.00 C ATOM 693 CD PRO B 32 -43.136 11.235 39.841 1.00 0.00 C ATOM 0 HA PRO B 32 -46.215 12.333 40.502 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -43.789 13.875 41.139 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -44.702 12.872 42.248 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -42.126 12.274 41.447 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -43.263 11.058 41.993 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -42.513 11.796 39.145 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -42.782 10.204 39.827 1.00 0.00 H new ATOM 701 N SER B 33 -44.359 13.943 38.326 1.00 0.00 N ATOM 702 CA SER B 33 -44.428 14.532 36.968 1.00 0.00 C ATOM 703 C SER B 33 -43.175 13.995 36.191 1.00 0.00 C ATOM 704 O SER B 33 -43.290 13.072 35.377 1.00 0.00 O ATOM 705 CB SER B 33 -44.587 16.075 37.023 1.00 0.00 C ATOM 706 OG SER B 33 -44.598 16.638 35.709 1.00 0.00 O ATOM 0 H SER B 33 -43.406 13.727 38.618 1.00 0.00 H new ATOM 0 HA SER B 33 -45.319 14.227 36.420 1.00 0.00 H new ATOM 0 HB2 SER B 33 -45.512 16.330 37.539 1.00 0.00 H new ATOM 0 HB3 SER B 33 -43.770 16.508 37.601 1.00 0.00 H new ATOM 0 HG SER B 33 -44.701 17.611 35.771 1.00 0.00 H new ATOM 712 N GLY B 34 -41.961 14.520 36.471 1.00 0.00 N ATOM 713 CA GLY B 34 -40.720 14.184 35.703 1.00 0.00 C ATOM 714 C GLY B 34 -40.710 14.314 34.155 1.00 0.00 C ATOM 715 O GLY B 34 -40.080 13.494 33.485 1.00 0.00 O ATOM 0 H GLY B 34 -41.804 15.185 37.228 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -39.919 14.816 36.087 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -40.457 13.154 35.944 1.00 0.00 H new ATOM 719 N ASN B 35 -41.398 15.318 33.595 1.00 0.00 N ATOM 720 CA ASN B 35 -41.702 15.377 32.133 1.00 0.00 C ATOM 721 C ASN B 35 -40.842 16.453 31.388 1.00 0.00 C ATOM 722 O ASN B 35 -41.343 17.486 30.933 1.00 0.00 O ATOM 723 CB ASN B 35 -43.239 15.581 31.978 1.00 0.00 C ATOM 724 CG ASN B 35 -44.127 14.411 32.423 1.00 0.00 C ATOM 725 OD1 ASN B 35 -43.799 13.240 32.270 1.00 0.00 O ATOM 726 ND2 ASN B 35 -45.277 14.675 32.983 1.00 0.00 N ATOM 0 H ASN B 35 -41.762 16.111 34.124 1.00 0.00 H new ATOM 0 HA ASN B 35 -41.421 14.442 31.649 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -43.526 16.465 32.548 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -43.452 15.794 30.930 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -45.884 13.913 33.284 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -45.568 15.643 33.119 1.00 0.00 H new ATOM 733 N SER B 36 -39.533 16.190 31.234 1.00 0.00 N ATOM 734 CA SER B 36 -38.585 17.130 30.570 1.00 0.00 C ATOM 735 C SER B 36 -38.438 16.868 29.032 1.00 0.00 C ATOM 736 O SER B 36 -37.506 16.187 28.591 1.00 0.00 O ATOM 737 CB SER B 36 -37.246 17.053 31.347 1.00 0.00 C ATOM 738 OG SER B 36 -36.623 15.770 31.223 1.00 0.00 O ATOM 0 H SER B 36 -39.095 15.329 31.560 1.00 0.00 H new ATOM 0 HA SER B 36 -38.972 18.148 30.612 1.00 0.00 H new ATOM 0 HB2 SER B 36 -36.568 17.822 30.976 1.00 0.00 H new ATOM 0 HB3 SER B 36 -37.426 17.268 32.400 1.00 0.00 H new ATOM 0 HG SER B 36 -36.715 15.450 30.301 1.00 0.00 H new ATOM 744 N SER B 37 -39.365 17.419 28.233 1.00 0.00 N ATOM 745 CA SER B 37 -39.399 17.202 26.754 1.00 0.00 C ATOM 746 C SER B 37 -38.500 18.163 25.897 1.00 0.00 C ATOM 747 O SER B 37 -37.709 17.689 25.077 1.00 0.00 O ATOM 748 CB SER B 37 -40.891 17.236 26.334 1.00 0.00 C ATOM 749 OG SER B 37 -41.043 16.850 24.967 1.00 0.00 O ATOM 0 H SER B 37 -40.111 18.024 28.577 1.00 0.00 H new ATOM 0 HA SER B 37 -38.943 16.235 26.540 1.00 0.00 H new ATOM 0 HB2 SER B 37 -41.468 16.566 26.972 1.00 0.00 H new ATOM 0 HB3 SER B 37 -41.292 18.239 26.480 1.00 0.00 H new ATOM 0 HG SER B 37 -41.912 17.158 24.635 1.00 0.00 H new ATOM 755 N SER B 38 -38.635 19.498 26.059 1.00 0.00 N ATOM 756 CA SER B 38 -38.228 20.514 25.031 1.00 0.00 C ATOM 757 C SER B 38 -39.108 20.463 23.729 1.00 0.00 C ATOM 758 O SER B 38 -38.680 20.015 22.661 1.00 0.00 O ATOM 759 CB SER B 38 -36.691 20.628 24.830 1.00 0.00 C ATOM 760 OG SER B 38 -36.143 19.511 24.131 1.00 0.00 O ATOM 0 H SER B 38 -39.028 19.914 26.903 1.00 0.00 H new ATOM 0 HA SER B 38 -38.471 21.490 25.450 1.00 0.00 H new ATOM 0 HB2 SER B 38 -36.467 21.542 24.279 1.00 0.00 H new ATOM 0 HB3 SER B 38 -36.207 20.716 25.803 1.00 0.00 H new ATOM 0 HG SER B 38 -36.521 18.682 24.492 1.00 0.00 H new ATOM 766 N GLY B 39 -40.370 20.896 23.864 1.00 0.00 N ATOM 767 CA GLY B 39 -41.493 20.330 23.078 1.00 0.00 C ATOM 768 C GLY B 39 -42.444 19.582 24.026 1.00 0.00 C ATOM 769 O GLY B 39 -42.687 18.377 23.806 1.00 0.00 O ATOM 770 OXT GLY B 39 -42.925 20.177 25.018 1.00 0.00 O ATOM 0 H GLY B 39 -40.646 21.637 24.509 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -42.028 21.126 22.560 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -41.113 19.652 22.314 1.00 0.00 H new TER 774 GLY B 39