USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 871 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 71 SER OG : rot -107:sc= 1.22 USER MOD Set 1.2: A 111 GLN : amide:sc= 1.13 K(o=2.3,f=-0.92) USER MOD Set 2.1: A 69 CYS SG : rot -40:sc= 1.18 USER MOD Set 2.2: A 106 THR OG1 : rot -46:sc= 1.24 USER MOD Set 2.3: A 109 SER OG : rot -82:sc= 0.131 USER MOD Set 3.1: A 103 ASN : amide:sc= -0.446 K(o=-0.85,f=-1.9) USER MOD Set 3.2: A 104 TYR OH : rot -173:sc= -0.407 USER MOD Set 4.1: A 26 SER OG : rot -145:sc= 1.64 USER MOD Set 4.2: A 54 LYS NZ :NH3+ -176:sc= 0.717 (180deg=-0.00904) USER MOD Set 4.3: A 85 SER OG : rot 101:sc= 1.87 USER MOD Set 5.1: A 12 CYS SG : rot 77:sc= -4.64! USER MOD Set 5.2: A 50 CYS SG : rot -65:sc= -2.4! USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.00261 (180deg=-0.482) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.1) USER MOD Single : A 14 GLN : amide:sc= -0.87 K(o=-0.87,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 134:sc= 0.203 (180deg=-0.874) USER MOD Single : A 19 SER OG : rot -17:sc= -0.185 USER MOD Single : A 20 CYS SG : rot -81:sc= -2.62! USER MOD Single : A 21 ASN : amide:sc= 1.18 K(o=1.2,f=-0.14) USER MOD Single : A 22 SER OG : rot 68:sc= 1.03 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.304 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -151:sc= 0.398 USER MOD Single : A 36 TYR OH : rot -91:sc=0.000782 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.255 K(o=0.25,f=-3.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.3) USER MOD Single : A 44 GLN : amide:sc= -2.92! K(o=-2.9!,f=-0.32) USER MOD Single : A 45 THR OG1 : rot 12:sc= 1.06 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 1.18 (180deg=1.17) USER MOD Single : A 51 TYR OH : rot 160:sc= -3.35! USER MOD Single : A 59 SER OG : rot -42:sc= 0.0825 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.18) USER MOD Single : A 61 SER OG : rot 89:sc= 0.35 USER MOD Single : A 65 CYS SG : rot 78:sc= -0.677! USER MOD Single : A 72 MET CE :methyl 156:sc= -0.207 (180deg=-1.04) USER MOD Single : A 73 THR OG1 : rot -159:sc= 0.00444 USER MOD Single : A 74 SER OG : rot -126:sc= 1.32 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -103:sc= -1.13! USER MOD Single : A 80 SER OG : rot 180:sc= -0.063 USER MOD Single : A 83 SER OG : rot -173:sc= 0.284 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.941 K(o=-0.94,f=-4!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 94 GLN : amide:sc= -4.32! C(o=-4.3!,f=-5.6!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0488 (180deg=-0.243) USER MOD Single : A 102 SER OG : rot 86:sc= 0.182 USER MOD Single : A 105 CYS SG : rot 2:sc= -0.122 USER MOD Single : A 108 LYS NZ :NH3+ -173:sc= 1.24 (180deg=0.774) USER MOD Single : A 112 GLN : amide:sc= -2.55! K(o=-2.5!,f=-1.7) USER MOD Single : A 114 SER OG : rot -49:sc= 0.594 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.201 12.196 -6.893 1.00 0.54 N ATOM 2 CA ALA A 1 -2.922 10.925 -6.673 1.00 0.39 C ATOM 3 C ALA A 1 -4.419 11.179 -6.597 1.00 0.35 C ATOM 4 O ALA A 1 -4.864 12.151 -5.993 1.00 0.37 O ATOM 5 CB ALA A 1 -2.442 10.231 -5.408 1.00 0.28 C ATOM 0 H1 ALA A 1 -1.708 12.161 -7.808 1.00 0.54 H new ATOM 0 H2 ALA A 1 -2.880 12.984 -6.895 1.00 0.54 H new ATOM 0 H3 ALA A 1 -1.508 12.338 -6.131 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.713 10.268 -7.517 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.991 9.299 -5.274 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.377 10.016 -5.493 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.613 10.880 -4.549 1.00 0.28 H new ATOM 13 N PRO A 2 -5.206 10.324 -7.255 1.00 0.34 N ATOM 14 CA PRO A 2 -6.664 10.423 -7.294 1.00 0.34 C ATOM 15 C PRO A 2 -7.324 9.947 -6.018 1.00 0.28 C ATOM 16 O PRO A 2 -8.407 10.406 -5.655 1.00 0.28 O ATOM 17 CB PRO A 2 -7.055 9.489 -8.433 1.00 0.39 C ATOM 18 CG PRO A 2 -5.781 9.184 -9.138 1.00 0.45 C ATOM 19 CD PRO A 2 -4.745 9.206 -8.066 1.00 0.39 C ATOM 0 HA PRO A 2 -6.981 11.458 -7.421 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.524 8.580 -8.055 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.773 9.963 -9.103 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.823 8.212 -9.630 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -5.568 9.923 -9.910 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.715 8.273 -7.503 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.744 9.371 -8.464 1.00 0.39 H new ATOM 27 N THR A 3 -6.689 8.999 -5.348 1.00 0.27 N ATOM 28 CA THR A 3 -7.252 8.434 -4.141 1.00 0.24 C ATOM 29 C THR A 3 -6.202 8.326 -3.047 1.00 0.19 C ATOM 30 O THR A 3 -5.004 8.428 -3.329 1.00 0.19 O ATOM 31 CB THR A 3 -7.873 7.059 -4.404 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.866 6.154 -4.881 1.00 0.34 O ATOM 33 CG2 THR A 3 -9.001 7.164 -5.422 1.00 0.37 C ATOM 0 H THR A 3 -5.787 8.608 -5.621 1.00 0.27 H new ATOM 0 HA THR A 3 -8.039 9.109 -3.807 1.00 0.24 H new ATOM 0 HB THR A 3 -8.286 6.680 -3.469 1.00 0.31 H new ATOM 0 HG1 THR A 3 -7.268 5.275 -5.046 1.00 0.34 H new ATOM 0 HG21 THR A 3 -9.428 6.176 -5.595 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.773 7.832 -5.042 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.609 7.559 -6.360 1.00 0.37 H new ATOM 41 N LEU A 4 -6.636 8.128 -1.814 1.00 0.16 N ATOM 42 CA LEU A 4 -5.732 8.196 -0.677 1.00 0.15 C ATOM 43 C LEU A 4 -4.622 7.141 -0.767 1.00 0.18 C ATOM 44 O LEU A 4 -3.452 7.431 -0.499 1.00 0.24 O ATOM 45 CB LEU A 4 -6.521 8.076 0.630 1.00 0.13 C ATOM 46 CG LEU A 4 -5.671 8.039 1.893 1.00 0.12 C ATOM 47 CD1 LEU A 4 -4.985 9.376 2.068 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.513 7.700 3.114 1.00 0.15 C ATOM 0 H LEU A 4 -7.605 7.919 -1.574 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.238 9.168 -0.692 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.211 8.917 0.699 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -7.126 7.170 0.590 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.919 7.256 1.792 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.375 9.356 2.971 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.350 9.575 1.205 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.736 10.162 2.155 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -5.878 7.681 4.000 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.290 8.454 3.241 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -6.975 6.722 2.978 1.00 0.15 H new ATOM 60 N GLN A 5 -4.982 5.936 -1.194 1.00 0.17 N ATOM 61 CA GLN A 5 -4.015 4.850 -1.320 1.00 0.22 C ATOM 62 C GLN A 5 -2.936 5.192 -2.346 1.00 0.22 C ATOM 63 O GLN A 5 -1.789 4.778 -2.203 1.00 0.25 O ATOM 64 CB GLN A 5 -4.724 3.547 -1.695 1.00 0.29 C ATOM 65 CG GLN A 5 -3.857 2.305 -1.539 1.00 0.55 C ATOM 66 CD GLN A 5 -2.967 2.040 -2.738 1.00 0.67 C ATOM 67 OE1 GLN A 5 -3.329 2.350 -3.875 1.00 1.58 O ATOM 68 NE2 GLN A 5 -1.798 1.468 -2.493 1.00 0.73 N ATOM 0 H GLN A 5 -5.935 5.686 -1.459 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.527 4.715 -0.355 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.613 3.437 -1.074 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -5.063 3.614 -2.729 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -3.235 2.414 -0.651 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -4.500 1.440 -1.374 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.538 1.228 -1.536 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -1.157 1.268 -3.261 1.00 0.73 H new ATOM 77 N GLU A 6 -3.277 5.963 -3.368 1.00 0.23 N ATOM 78 CA GLU A 6 -2.281 6.317 -4.365 1.00 0.24 C ATOM 79 C GLU A 6 -1.345 7.386 -3.827 1.00 0.23 C ATOM 80 O GLU A 6 -0.199 7.474 -4.249 1.00 0.24 O ATOM 81 CB GLU A 6 -2.895 6.760 -5.684 1.00 0.30 C ATOM 82 CG GLU A 6 -1.868 6.791 -6.787 1.00 0.34 C ATOM 83 CD GLU A 6 -2.455 6.944 -8.170 1.00 0.95 C ATOM 84 OE1 GLU A 6 -3.232 6.068 -8.591 1.00 1.11 O ATOM 85 OE2 GLU A 6 -2.141 7.945 -8.841 1.00 1.70 O ATOM 0 H GLU A 6 -4.209 6.346 -3.526 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.711 5.412 -4.573 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.703 6.081 -5.957 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.336 7.750 -5.567 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -1.178 7.614 -6.603 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -1.284 5.871 -6.751 1.00 0.34 H new ATOM 92 N ALA A 7 -1.823 8.192 -2.881 1.00 0.22 N ATOM 93 CA ALA A 7 -0.957 9.138 -2.198 1.00 0.22 C ATOM 94 C ALA A 7 0.038 8.361 -1.356 1.00 0.19 C ATOM 95 O ALA A 7 1.146 8.820 -1.087 1.00 0.19 O ATOM 96 CB ALA A 7 -1.782 10.079 -1.334 1.00 0.24 C ATOM 0 H ALA A 7 -2.796 8.206 -2.575 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.419 9.745 -2.926 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.121 10.782 -0.828 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.484 10.628 -1.962 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.334 9.502 -0.592 1.00 0.24 H new ATOM 102 N LEU A 8 -0.368 7.164 -0.963 1.00 0.17 N ATOM 103 CA LEU A 8 0.526 6.243 -0.300 1.00 0.15 C ATOM 104 C LEU A 8 1.586 5.747 -1.265 1.00 0.15 C ATOM 105 O LEU A 8 2.766 5.767 -0.952 1.00 0.16 O ATOM 106 CB LEU A 8 -0.220 5.056 0.254 1.00 0.15 C ATOM 107 CG LEU A 8 -1.061 5.316 1.479 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.260 4.019 2.225 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.417 6.341 2.375 1.00 0.12 C ATOM 0 H LEU A 8 -1.316 6.811 -1.095 1.00 0.17 H new ATOM 0 HA LEU A 8 0.995 6.782 0.523 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.867 4.661 -0.529 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.504 4.277 0.493 1.00 0.15 H new ATOM 0 HG LEU A 8 -2.026 5.713 1.165 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -1.867 4.199 3.112 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.765 3.301 1.579 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.291 3.619 2.524 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.047 6.507 3.249 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.561 5.981 2.695 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.299 7.278 1.830 1.00 0.12 H new ATOM 121 N ASP A 9 1.143 5.290 -2.432 1.00 0.15 N ATOM 122 CA ASP A 9 2.043 4.881 -3.513 1.00 0.15 C ATOM 123 C ASP A 9 3.013 6.010 -3.849 1.00 0.15 C ATOM 124 O ASP A 9 4.143 5.779 -4.272 1.00 0.15 O ATOM 125 CB ASP A 9 1.237 4.537 -4.768 1.00 0.20 C ATOM 126 CG ASP A 9 0.620 3.154 -4.737 1.00 0.97 C ATOM 127 OD1 ASP A 9 0.543 2.543 -3.651 1.00 1.34 O ATOM 128 OD2 ASP A 9 0.217 2.671 -5.817 1.00 1.61 O ATOM 0 H ASP A 9 0.153 5.192 -2.658 1.00 0.15 H new ATOM 0 HA ASP A 9 2.600 4.005 -3.180 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.445 5.275 -4.894 1.00 0.20 H new ATOM 0 HB3 ASP A 9 1.887 4.615 -5.639 1.00 0.20 H new ATOM 133 N ARG A 10 2.543 7.230 -3.645 1.00 0.17 N ATOM 134 CA ARG A 10 3.313 8.436 -3.908 1.00 0.20 C ATOM 135 C ARG A 10 4.330 8.660 -2.810 1.00 0.19 C ATOM 136 O ARG A 10 5.485 8.995 -3.070 1.00 0.24 O ATOM 137 CB ARG A 10 2.348 9.608 -4.005 1.00 0.25 C ATOM 138 CG ARG A 10 1.566 9.611 -5.263 1.00 0.67 C ATOM 139 CD ARG A 10 0.810 10.892 -5.360 1.00 0.64 C ATOM 140 NE ARG A 10 1.658 11.994 -5.806 1.00 1.02 N ATOM 141 CZ ARG A 10 1.718 13.192 -5.229 1.00 1.80 C ATOM 142 NH1 ARG A 10 0.959 13.479 -4.178 1.00 2.60 N ATOM 143 NH2 ARG A 10 2.542 14.109 -5.717 1.00 2.10 N ATOM 0 H ARG A 10 1.605 7.413 -3.288 1.00 0.17 H new ATOM 0 HA ARG A 10 3.860 8.336 -4.846 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.663 9.578 -3.158 1.00 0.25 H new ATOM 0 HB3 ARG A 10 2.908 10.540 -3.930 1.00 0.25 H new ATOM 0 HG2 ARG A 10 2.230 9.500 -6.120 1.00 0.67 H new ATOM 0 HG3 ARG A 10 0.878 8.765 -5.281 1.00 0.67 H new ATOM 0 HD2 ARG A 10 -0.022 10.771 -6.054 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.381 11.135 -4.388 1.00 0.64 H new ATOM 0 HE ARG A 10 2.249 11.834 -6.622 1.00 1.02 H new ATOM 0 HH11 ARG A 10 0.320 12.778 -3.803 1.00 2.60 H new ATOM 0 HH12 ARG A 10 1.015 14.401 -3.745 1.00 2.60 H new ATOM 0 HH21 ARG A 10 3.123 13.893 -6.527 1.00 2.10 H new ATOM 0 HH22 ARG A 10 2.595 15.030 -5.282 1.00 2.10 H new ATOM 157 N LYS A 11 3.880 8.464 -1.586 1.00 0.18 N ATOM 158 CA LYS A 11 4.759 8.436 -0.427 1.00 0.21 C ATOM 159 C LYS A 11 5.806 7.349 -0.641 1.00 0.18 C ATOM 160 O LYS A 11 7.000 7.536 -0.406 1.00 0.18 O ATOM 161 CB LYS A 11 3.954 8.142 0.826 1.00 0.26 C ATOM 162 CG LYS A 11 4.776 8.173 2.093 1.00 0.42 C ATOM 163 CD LYS A 11 5.510 9.479 2.265 1.00 0.52 C ATOM 164 CE LYS A 11 4.552 10.627 2.430 1.00 0.59 C ATOM 165 NZ LYS A 11 5.165 11.778 3.141 1.00 0.99 N ATOM 0 H LYS A 11 2.895 8.319 -1.364 1.00 0.18 H new ATOM 0 HA LYS A 11 5.247 9.403 -0.305 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.147 8.870 0.908 1.00 0.26 H new ATOM 0 HB3 LYS A 11 3.490 7.161 0.728 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.124 8.009 2.951 1.00 0.42 H new ATOM 0 HG3 LYS A 11 5.495 7.354 2.078 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.163 9.420 3.136 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.148 9.657 1.399 1.00 0.52 H new ATOM 0 HE2 LYS A 11 4.206 10.952 1.449 1.00 0.59 H new ATOM 0 HE3 LYS A 11 3.675 10.288 2.981 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 4.415 12.395 3.513 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 5.749 11.429 3.928 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 5.761 12.317 2.480 1.00 0.99 H new ATOM 179 N CYS A 12 5.315 6.221 -1.122 1.00 0.16 N ATOM 180 CA CYS A 12 6.128 5.065 -1.457 1.00 0.14 C ATOM 181 C CYS A 12 7.143 5.371 -2.544 1.00 0.14 C ATOM 182 O CYS A 12 8.253 4.841 -2.531 1.00 0.14 O ATOM 183 CB CYS A 12 5.219 3.912 -1.882 1.00 0.13 C ATOM 184 SG CYS A 12 4.257 3.228 -0.522 1.00 0.15 S ATOM 0 H CYS A 12 4.320 6.080 -1.294 1.00 0.16 H new ATOM 0 HA CYS A 12 6.693 4.782 -0.569 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.539 4.261 -2.659 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.827 3.122 -2.322 1.00 0.13 H new ATOM 0 HG CYS A 12 3.268 4.026 -0.245 1.00 0.15 H new ATOM 190 N ALA A 13 6.776 6.233 -3.473 1.00 0.17 N ATOM 191 CA ALA A 13 7.668 6.604 -4.556 1.00 0.20 C ATOM 192 C ALA A 13 8.776 7.499 -4.026 1.00 0.21 C ATOM 193 O ALA A 13 9.860 7.579 -4.596 1.00 0.28 O ATOM 194 CB ALA A 13 6.886 7.299 -5.656 1.00 0.25 C ATOM 0 H ALA A 13 5.865 6.690 -3.500 1.00 0.17 H new ATOM 0 HA ALA A 13 8.122 5.707 -4.976 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.562 7.574 -6.465 1.00 0.25 H new ATOM 0 HB2 ALA A 13 6.119 6.626 -6.038 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.415 8.197 -5.256 1.00 0.25 H new ATOM 200 N GLN A 14 8.498 8.140 -2.902 1.00 0.20 N ATOM 201 CA GLN A 14 9.429 9.074 -2.297 1.00 0.23 C ATOM 202 C GLN A 14 10.465 8.362 -1.437 1.00 0.26 C ATOM 203 O GLN A 14 11.559 8.875 -1.229 1.00 0.43 O ATOM 204 CB GLN A 14 8.664 10.094 -1.477 1.00 0.24 C ATOM 205 CG GLN A 14 7.798 10.986 -2.341 1.00 0.26 C ATOM 206 CD GLN A 14 7.105 12.095 -1.568 1.00 0.32 C ATOM 207 OE1 GLN A 14 6.781 13.144 -2.126 1.00 0.87 O ATOM 208 NE2 GLN A 14 6.896 11.889 -0.279 1.00 1.07 N ATOM 0 H GLN A 14 7.625 8.027 -2.387 1.00 0.20 H new ATOM 0 HA GLN A 14 9.970 9.582 -3.095 1.00 0.23 H new ATOM 0 HB2 GLN A 14 8.039 9.578 -0.749 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.368 10.708 -0.914 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.415 11.430 -3.123 1.00 0.26 H new ATOM 0 HG3 GLN A 14 7.044 10.375 -2.838 1.00 0.26 H new ATOM 0 HE21 GLN A 14 7.178 11.007 0.149 1.00 1.07 H new ATOM 0 HE22 GLN A 14 6.453 12.612 0.288 1.00 1.07 H new ATOM 217 N PHE A 15 10.103 7.198 -0.915 1.00 0.20 N ATOM 218 CA PHE A 15 11.050 6.364 -0.172 1.00 0.20 C ATOM 219 C PHE A 15 11.671 5.319 -1.083 1.00 0.19 C ATOM 220 O PHE A 15 12.891 5.179 -1.146 1.00 0.24 O ATOM 221 CB PHE A 15 10.373 5.635 0.986 1.00 0.21 C ATOM 222 CG PHE A 15 9.658 6.526 1.946 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.322 7.548 2.598 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.313 6.340 2.190 1.00 0.18 C ATOM 225 CE1 PHE A 15 9.653 8.368 3.479 1.00 0.42 C ATOM 226 CE2 PHE A 15 7.641 7.153 3.065 1.00 0.24 C ATOM 227 CZ PHE A 15 8.309 8.169 3.711 1.00 0.33 C ATOM 0 H PHE A 15 9.164 6.807 -0.990 1.00 0.20 H new ATOM 0 HA PHE A 15 11.816 7.034 0.220 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.662 4.915 0.580 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.127 5.066 1.530 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.375 7.705 2.415 1.00 0.36 H new ATOM 0 HD2 PHE A 15 7.784 5.545 1.686 1.00 0.18 H new ATOM 0 HE1 PHE A 15 10.179 9.163 3.986 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.588 6.997 3.248 1.00 0.24 H new ATOM 0 HZ PHE A 15 7.780 8.810 4.400 1.00 0.33 H new ATOM 237 N GLY A 16 10.813 4.576 -1.777 1.00 0.15 N ATOM 238 CA GLY A 16 11.264 3.518 -2.650 1.00 0.15 C ATOM 239 C GLY A 16 12.299 3.995 -3.632 1.00 0.15 C ATOM 240 O GLY A 16 13.439 3.546 -3.623 1.00 0.18 O ATOM 0 H GLY A 16 9.800 4.695 -1.745 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.680 2.708 -2.051 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.412 3.109 -3.193 1.00 0.15 H new ATOM 244 N LYS A 17 11.919 4.946 -4.453 1.00 0.18 N ATOM 245 CA LYS A 17 12.782 5.398 -5.512 1.00 0.23 C ATOM 246 C LYS A 17 13.900 6.266 -4.953 1.00 0.28 C ATOM 247 O LYS A 17 14.902 6.498 -5.612 1.00 0.34 O ATOM 248 CB LYS A 17 11.971 6.148 -6.540 1.00 0.28 C ATOM 249 CG LYS A 17 10.623 5.510 -6.823 1.00 0.28 C ATOM 250 CD LYS A 17 10.732 4.109 -7.415 1.00 0.27 C ATOM 251 CE LYS A 17 9.373 3.634 -7.887 1.00 0.90 C ATOM 252 NZ LYS A 17 8.790 4.537 -8.920 1.00 1.24 N ATOM 0 H LYS A 17 11.017 5.420 -4.406 1.00 0.18 H new ATOM 0 HA LYS A 17 13.243 4.536 -5.995 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.816 7.170 -6.195 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.539 6.207 -7.468 1.00 0.28 H new ATOM 0 HG2 LYS A 17 10.050 5.462 -5.897 1.00 0.28 H new ATOM 0 HG3 LYS A 17 10.065 6.145 -7.511 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.434 4.112 -8.249 1.00 0.27 H new ATOM 0 HD3 LYS A 17 11.127 3.420 -6.668 1.00 0.27 H new ATOM 0 HE2 LYS A 17 9.463 2.627 -8.296 1.00 0.90 H new ATOM 0 HE3 LYS A 17 8.695 3.573 -7.036 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 8.412 3.969 -9.705 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 8.023 5.098 -8.498 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 9.528 5.176 -9.279 1.00 1.24 H new ATOM 266 N GLU A 18 13.717 6.743 -3.732 1.00 0.27 N ATOM 267 CA GLU A 18 14.808 7.363 -2.985 1.00 0.34 C ATOM 268 C GLU A 18 15.938 6.354 -2.801 1.00 0.35 C ATOM 269 O GLU A 18 17.116 6.669 -2.995 1.00 0.43 O ATOM 270 CB GLU A 18 14.293 7.870 -1.637 1.00 0.36 C ATOM 271 CG GLU A 18 15.354 8.003 -0.554 1.00 0.53 C ATOM 272 CD GLU A 18 15.253 6.922 0.513 1.00 1.01 C ATOM 273 OE1 GLU A 18 15.878 5.851 0.347 1.00 1.55 O ATOM 274 OE2 GLU A 18 14.560 7.145 1.530 1.00 1.47 O ATOM 0 H GLU A 18 12.827 6.715 -3.235 1.00 0.27 H new ATOM 0 HA GLU A 18 15.197 8.217 -3.540 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.823 8.842 -1.786 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.516 7.192 -1.283 1.00 0.36 H new ATOM 0 HG2 GLU A 18 16.342 7.961 -1.013 1.00 0.53 H new ATOM 0 HG3 GLU A 18 15.263 8.981 -0.082 1.00 0.53 H new ATOM 281 N SER A 19 15.565 5.133 -2.456 1.00 0.30 N ATOM 282 CA SER A 19 16.517 4.043 -2.365 1.00 0.32 C ATOM 283 C SER A 19 17.089 3.747 -3.739 1.00 0.33 C ATOM 284 O SER A 19 18.282 3.494 -3.888 1.00 0.40 O ATOM 285 CB SER A 19 15.836 2.818 -1.782 1.00 0.29 C ATOM 286 OG SER A 19 15.191 3.143 -0.564 1.00 0.30 O ATOM 0 H SER A 19 14.604 4.873 -2.234 1.00 0.30 H new ATOM 0 HA SER A 19 17.338 4.325 -1.706 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.108 2.426 -2.493 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.571 2.032 -1.613 1.00 0.29 H new ATOM 0 HG SER A 19 15.540 3.994 -0.226 1.00 0.30 H new ATOM 292 N CYS A 20 16.229 3.810 -4.745 1.00 0.30 N ATOM 293 CA CYS A 20 16.647 3.674 -6.130 1.00 0.33 C ATOM 294 C CYS A 20 17.675 4.748 -6.485 1.00 0.39 C ATOM 295 O CYS A 20 18.674 4.471 -7.146 1.00 0.43 O ATOM 296 CB CYS A 20 15.423 3.757 -7.043 1.00 0.32 C ATOM 297 SG CYS A 20 15.637 4.773 -8.525 1.00 1.08 S ATOM 0 H CYS A 20 15.227 3.956 -4.624 1.00 0.30 H new ATOM 0 HA CYS A 20 17.121 2.703 -6.271 1.00 0.33 H new ATOM 0 HB2 CYS A 20 15.149 2.748 -7.350 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.586 4.153 -6.468 1.00 0.32 H new ATOM 0 HG CYS A 20 15.468 6.025 -8.221 1.00 1.08 H new ATOM 303 N ASN A 21 17.440 5.968 -6.003 1.00 0.44 N ATOM 304 CA ASN A 21 18.369 7.078 -6.211 1.00 0.52 C ATOM 305 C ASN A 21 19.685 6.822 -5.494 1.00 0.58 C ATOM 306 O ASN A 21 20.734 7.316 -5.901 1.00 0.69 O ATOM 307 CB ASN A 21 17.767 8.399 -5.727 1.00 0.55 C ATOM 308 CG ASN A 21 16.918 9.085 -6.780 1.00 0.56 C ATOM 309 OD1 ASN A 21 17.425 9.870 -7.582 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.628 8.801 -6.784 1.00 0.58 N ATOM 0 H ASN A 21 16.610 6.213 -5.463 1.00 0.44 H new ATOM 0 HA ASN A 21 18.557 7.152 -7.282 1.00 0.52 H new ATOM 0 HB2 ASN A 21 17.158 8.212 -4.843 1.00 0.55 H new ATOM 0 HB3 ASN A 21 18.572 9.069 -5.424 1.00 0.55 H new ATOM 0 HD21 ASN A 21 15.012 9.238 -7.469 1.00 0.58 H new ATOM 0 HD22 ASN A 21 15.248 8.145 -6.102 1.00 0.58 H new ATOM 317 N SER A 22 19.618 6.033 -4.428 1.00 0.55 N ATOM 318 CA SER A 22 20.797 5.687 -3.650 1.00 0.63 C ATOM 319 C SER A 22 21.552 4.530 -4.305 1.00 0.63 C ATOM 320 O SER A 22 22.669 4.197 -3.909 1.00 0.76 O ATOM 321 CB SER A 22 20.388 5.324 -2.225 1.00 0.67 C ATOM 322 OG SER A 22 19.566 6.339 -1.664 1.00 1.28 O ATOM 0 H SER A 22 18.752 5.619 -4.083 1.00 0.55 H new ATOM 0 HA SER A 22 21.463 6.549 -3.616 1.00 0.63 H new ATOM 0 HB2 SER A 22 19.853 4.375 -2.226 1.00 0.67 H new ATOM 0 HB3 SER A 22 21.277 5.188 -1.610 1.00 0.67 H new ATOM 0 HG SER A 22 18.706 6.360 -2.133 1.00 1.28 H new ATOM 328 N GLY A 23 20.932 3.920 -5.311 1.00 0.52 N ATOM 329 CA GLY A 23 21.589 2.864 -6.050 1.00 0.57 C ATOM 330 C GLY A 23 20.797 1.577 -6.070 1.00 0.50 C ATOM 331 O GLY A 23 21.185 0.625 -6.744 1.00 0.57 O ATOM 0 H GLY A 23 19.987 4.140 -5.625 1.00 0.52 H new ATOM 0 HA2 GLY A 23 21.758 3.196 -7.074 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.568 2.675 -5.610 1.00 0.57 H new ATOM 335 N LEU A 24 19.686 1.549 -5.341 1.00 0.41 N ATOM 336 CA LEU A 24 18.862 0.353 -5.257 1.00 0.35 C ATOM 337 C LEU A 24 18.217 0.045 -6.597 1.00 0.37 C ATOM 338 O LEU A 24 17.241 0.683 -6.999 1.00 0.53 O ATOM 339 CB LEU A 24 17.790 0.512 -4.182 1.00 0.30 C ATOM 340 CG LEU A 24 17.875 -0.489 -3.028 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.291 -1.827 -3.438 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.313 -0.655 -2.572 1.00 0.48 C ATOM 0 H LEU A 24 19.338 2.341 -4.801 1.00 0.41 H new ATOM 0 HA LEU A 24 19.509 -0.481 -4.985 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.854 1.520 -3.773 1.00 0.30 H new ATOM 0 HB3 LEU A 24 16.810 0.420 -4.651 1.00 0.30 H new ATOM 0 HG LEU A 24 17.291 -0.100 -2.194 1.00 0.38 H new ATOM 0 HD11 LEU A 24 17.361 -2.525 -2.604 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.245 -1.698 -3.716 1.00 0.44 H new ATOM 0 HD13 LEU A 24 17.847 -2.221 -4.289 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.354 -1.371 -1.751 1.00 0.48 H new ATOM 0 HD22 LEU A 24 19.918 -1.020 -3.402 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.701 0.306 -2.235 1.00 0.48 H new ATOM 354 N ALA A 25 18.768 -0.954 -7.264 1.00 0.32 N ATOM 355 CA ALA A 25 18.328 -1.352 -8.596 1.00 0.33 C ATOM 356 C ALA A 25 16.859 -1.741 -8.610 1.00 0.31 C ATOM 357 O ALA A 25 16.164 -1.550 -9.607 1.00 0.41 O ATOM 358 CB ALA A 25 19.166 -2.513 -9.079 1.00 0.37 C ATOM 0 H ALA A 25 19.536 -1.516 -6.898 1.00 0.32 H new ATOM 0 HA ALA A 25 18.453 -0.497 -9.261 1.00 0.33 H new ATOM 0 HB1 ALA A 25 18.837 -2.810 -10.075 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.214 -2.214 -9.117 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.053 -3.353 -8.394 1.00 0.37 H new ATOM 364 N SER A 26 16.403 -2.291 -7.497 1.00 0.25 N ATOM 365 CA SER A 26 15.028 -2.732 -7.357 1.00 0.22 C ATOM 366 C SER A 26 14.017 -1.632 -7.677 1.00 0.19 C ATOM 367 O SER A 26 13.191 -1.795 -8.569 1.00 0.22 O ATOM 368 CB SER A 26 14.805 -3.261 -5.968 1.00 0.24 C ATOM 369 OG SER A 26 15.358 -4.557 -5.807 1.00 1.04 O ATOM 0 H SER A 26 16.976 -2.444 -6.667 1.00 0.25 H new ATOM 0 HA SER A 26 14.865 -3.525 -8.087 1.00 0.22 H new ATOM 0 HB2 SER A 26 15.253 -2.581 -5.243 1.00 0.24 H new ATOM 0 HB3 SER A 26 13.736 -3.292 -5.757 1.00 0.24 H new ATOM 0 HG SER A 26 14.793 -5.081 -5.201 1.00 1.04 H new ATOM 375 N TYR A 27 14.081 -0.514 -6.956 1.00 0.16 N ATOM 376 CA TYR A 27 13.102 0.556 -7.132 1.00 0.16 C ATOM 377 C TYR A 27 13.369 1.341 -8.412 1.00 0.21 C ATOM 378 O TYR A 27 12.504 2.085 -8.877 1.00 0.26 O ATOM 379 CB TYR A 27 13.115 1.510 -5.935 1.00 0.15 C ATOM 380 CG TYR A 27 13.171 0.810 -4.602 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.051 0.189 -4.071 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.357 0.761 -3.883 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.106 -0.459 -2.856 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.421 0.109 -2.670 1.00 0.22 C ATOM 385 CZ TYR A 27 13.298 -0.497 -2.158 1.00 0.21 C ATOM 386 OH TYR A 27 13.373 -1.144 -0.949 1.00 0.27 O ATOM 0 H TYR A 27 14.794 -0.327 -6.251 1.00 0.16 H new ATOM 0 HA TYR A 27 12.120 0.089 -7.205 1.00 0.16 H new ATOM 0 HB2 TYR A 27 13.974 2.176 -6.022 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.222 2.135 -5.970 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.120 0.213 -4.618 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.241 1.240 -4.279 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.224 -0.934 -2.452 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.352 0.074 -2.123 1.00 0.22 H new ATOM 0 HH TYR A 27 14.285 -1.074 -0.596 1.00 0.27 H new ATOM 396 N CYS A 28 14.562 1.177 -8.973 1.00 0.25 N ATOM 397 CA CYS A 28 14.958 1.922 -10.158 1.00 0.31 C ATOM 398 C CYS A 28 14.075 1.554 -11.347 1.00 0.41 C ATOM 399 O CYS A 28 14.191 0.463 -11.909 1.00 0.48 O ATOM 400 CB CYS A 28 16.430 1.660 -10.477 1.00 0.35 C ATOM 401 SG CYS A 28 17.098 2.695 -11.800 1.00 0.81 S ATOM 0 H CYS A 28 15.272 0.533 -8.624 1.00 0.25 H new ATOM 0 HA CYS A 28 14.829 2.986 -9.959 1.00 0.31 H new ATOM 0 HB2 CYS A 28 17.020 1.819 -9.574 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.549 0.613 -10.755 1.00 0.35 H new ATOM 0 HG CYS A 28 18.349 2.399 -11.993 1.00 0.81 H new ATOM 407 N GLY A 29 13.182 2.470 -11.710 1.00 0.50 N ATOM 408 CA GLY A 29 12.265 2.225 -12.809 1.00 0.65 C ATOM 409 C GLY A 29 11.198 1.207 -12.453 1.00 0.57 C ATOM 410 O GLY A 29 10.607 0.579 -13.334 1.00 0.74 O ATOM 0 H GLY A 29 13.077 3.380 -11.261 1.00 0.50 H new ATOM 0 HA2 GLY A 29 11.788 3.162 -13.097 1.00 0.65 H new ATOM 0 HA3 GLY A 29 12.825 1.873 -13.675 1.00 0.65 H new ATOM 414 N ALA A 30 10.963 1.036 -11.159 1.00 0.43 N ATOM 415 CA ALA A 30 9.986 0.073 -10.667 1.00 0.35 C ATOM 416 C ALA A 30 8.676 0.756 -10.300 1.00 0.30 C ATOM 417 O ALA A 30 8.607 1.980 -10.199 1.00 0.41 O ATOM 418 CB ALA A 30 10.534 -0.668 -9.462 1.00 0.33 C ATOM 0 H ALA A 30 11.441 1.557 -10.424 1.00 0.43 H new ATOM 0 HA ALA A 30 9.790 -0.640 -11.468 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.792 -1.383 -9.107 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.444 -1.198 -9.744 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.760 0.044 -8.669 1.00 0.33 H new ATOM 424 N ALA A 31 7.644 -0.043 -10.130 1.00 0.24 N ATOM 425 CA ALA A 31 6.348 0.433 -9.683 1.00 0.19 C ATOM 426 C ALA A 31 6.205 0.174 -8.199 1.00 0.18 C ATOM 427 O ALA A 31 6.012 -0.958 -7.807 1.00 0.30 O ATOM 428 CB ALA A 31 5.255 -0.297 -10.434 1.00 0.19 C ATOM 0 H ALA A 31 7.679 -1.048 -10.299 1.00 0.24 H new ATOM 0 HA ALA A 31 6.265 1.503 -9.875 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.282 0.061 -10.098 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.361 -0.111 -11.503 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.334 -1.367 -10.243 1.00 0.19 H new ATOM 434 N ILE A 32 6.301 1.192 -7.362 1.00 0.14 N ATOM 435 CA ILE A 32 6.220 0.949 -5.929 1.00 0.13 C ATOM 436 C ILE A 32 4.832 1.284 -5.408 1.00 0.13 C ATOM 437 O ILE A 32 4.208 2.260 -5.830 1.00 0.21 O ATOM 438 CB ILE A 32 7.302 1.708 -5.122 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.312 1.214 -3.673 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.056 3.197 -5.175 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.664 1.297 -3.007 1.00 0.15 C ATOM 0 H ILE A 32 6.431 2.166 -7.635 1.00 0.14 H new ATOM 0 HA ILE A 32 6.412 -0.114 -5.783 1.00 0.13 H new ATOM 0 HB ILE A 32 8.277 1.510 -5.567 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.597 1.799 -3.095 1.00 0.13 H new ATOM 0 HG13 ILE A 32 6.970 0.179 -3.650 1.00 0.13 H new ATOM 0 HG21 ILE A 32 7.826 3.714 -4.602 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.087 3.534 -6.211 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.077 3.419 -4.750 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.589 0.929 -1.984 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.380 0.688 -3.560 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.001 2.333 -2.996 1.00 0.15 H new ATOM 453 N TYR A 33 4.350 0.435 -4.519 1.00 0.10 N ATOM 454 CA TYR A 33 3.001 0.542 -4.005 1.00 0.10 C ATOM 455 C TYR A 33 3.002 0.484 -2.487 1.00 0.09 C ATOM 456 O TYR A 33 3.898 -0.105 -1.874 1.00 0.09 O ATOM 457 CB TYR A 33 2.150 -0.602 -4.550 1.00 0.10 C ATOM 458 CG TYR A 33 2.136 -0.701 -6.058 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.298 0.100 -6.821 1.00 0.16 C ATOM 460 CD2 TYR A 33 2.948 -1.613 -6.715 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.272 -0.006 -8.201 1.00 0.19 C ATOM 462 CE2 TYR A 33 2.934 -1.719 -8.089 1.00 0.16 C ATOM 463 CZ TYR A 33 2.094 -0.918 -8.831 1.00 0.19 C ATOM 464 OH TYR A 33 2.071 -1.034 -10.206 1.00 0.24 O ATOM 0 H TYR A 33 4.883 -0.346 -4.135 1.00 0.10 H new ATOM 0 HA TYR A 33 2.585 1.498 -4.324 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.519 -1.542 -4.139 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.127 -0.479 -4.196 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.656 0.817 -6.331 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.603 -2.251 -6.140 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.612 0.622 -8.781 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.581 -2.429 -8.583 1.00 0.16 H new ATOM 0 HH TYR A 33 2.304 -1.951 -10.461 1.00 0.24 H new ATOM 474 N ALA A 34 2.000 1.098 -1.884 1.00 0.11 N ATOM 475 CA ALA A 34 1.827 1.023 -0.447 1.00 0.11 C ATOM 476 C ALA A 34 1.012 -0.188 -0.080 1.00 0.10 C ATOM 477 O ALA A 34 -0.153 -0.301 -0.473 1.00 0.14 O ATOM 478 CB ALA A 34 1.137 2.255 0.083 1.00 0.12 C ATOM 0 H ALA A 34 1.295 1.654 -2.368 1.00 0.11 H new ATOM 0 HA ALA A 34 2.819 0.951 -0.000 1.00 0.11 H new ATOM 0 HB1 ALA A 34 1.021 2.171 1.163 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.735 3.136 -0.150 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.155 2.350 -0.381 1.00 0.12 H new ATOM 484 N ARG A 35 1.602 -1.090 0.667 1.00 0.09 N ATOM 485 CA ARG A 35 0.867 -2.238 1.119 1.00 0.09 C ATOM 486 C ARG A 35 1.124 -2.476 2.600 1.00 0.08 C ATOM 487 O ARG A 35 2.261 -2.640 3.037 1.00 0.08 O ATOM 488 CB ARG A 35 1.206 -3.481 0.277 1.00 0.10 C ATOM 489 CG ARG A 35 -0.003 -4.345 -0.008 1.00 0.12 C ATOM 490 CD ARG A 35 -1.049 -3.581 -0.812 1.00 0.16 C ATOM 491 NE ARG A 35 -0.537 -3.181 -2.130 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.250 -2.537 -3.060 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.519 -2.236 -2.853 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.694 -2.214 -4.222 1.00 0.40 N ATOM 0 H ARG A 35 2.575 -1.050 0.969 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.197 -2.044 0.987 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.651 -3.165 -0.666 1.00 0.10 H new ATOM 0 HB3 ARG A 35 1.956 -4.075 0.800 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.304 -5.235 -0.558 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.439 -4.686 0.931 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.935 -4.203 -0.939 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.358 -2.695 -0.258 1.00 0.16 H new ATOM 0 HE ARG A 35 0.432 -3.411 -2.351 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -2.968 -2.495 -1.974 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -3.050 -1.744 -3.572 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.279 -2.457 -4.407 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.240 -1.723 -4.930 1.00 0.40 H new ATOM 508 N TYR A 36 0.052 -2.418 3.367 1.00 0.10 N ATOM 509 CA TYR A 36 0.070 -2.783 4.768 1.00 0.11 C ATOM 510 C TYR A 36 0.129 -4.294 4.845 1.00 0.14 C ATOM 511 O TYR A 36 -0.901 -4.958 4.938 1.00 0.19 O ATOM 512 CB TYR A 36 -1.197 -2.271 5.459 1.00 0.14 C ATOM 513 CG TYR A 36 -1.144 -2.346 6.962 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.324 -1.487 7.665 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.911 -3.260 7.675 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.257 -1.520 9.036 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.850 -3.305 9.053 1.00 0.21 C ATOM 518 CZ TYR A 36 -1.025 -2.429 9.732 1.00 0.18 C ATOM 519 OH TYR A 36 -0.974 -2.458 11.107 1.00 0.20 O ATOM 0 H TYR A 36 -0.862 -2.114 3.031 1.00 0.10 H new ATOM 0 HA TYR A 36 0.931 -2.340 5.269 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.368 -1.236 5.162 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -2.051 -2.849 5.106 1.00 0.14 H new ATOM 0 HD1 TYR A 36 0.279 -0.772 7.124 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.561 -3.941 7.146 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.393 -0.839 9.565 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -2.445 -4.022 9.599 1.00 0.21 H new ATOM 0 HH TYR A 36 -0.283 -3.090 11.395 1.00 0.20 H new ATOM 529 N ASP A 37 1.329 -4.830 4.758 1.00 0.13 N ATOM 530 CA ASP A 37 1.519 -6.266 4.700 1.00 0.17 C ATOM 531 C ASP A 37 2.824 -6.628 5.367 1.00 0.17 C ATOM 532 O ASP A 37 3.419 -5.796 6.045 1.00 0.16 O ATOM 533 CB ASP A 37 1.494 -6.784 3.254 1.00 0.19 C ATOM 534 CG ASP A 37 0.701 -8.071 3.139 1.00 0.47 C ATOM 535 OD1 ASP A 37 1.228 -9.129 3.537 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.465 -8.020 2.677 1.00 0.63 O ATOM 0 H ASP A 37 2.193 -4.289 4.726 1.00 0.13 H new ATOM 0 HA ASP A 37 0.693 -6.742 5.229 1.00 0.17 H new ATOM 0 HB2 ASP A 37 1.057 -6.027 2.603 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.514 -6.952 2.909 1.00 0.19 H new ATOM 541 N LYS A 38 3.264 -7.856 5.193 1.00 0.24 N ATOM 542 CA LYS A 38 4.476 -8.316 5.799 1.00 0.27 C ATOM 543 C LYS A 38 5.680 -7.889 4.979 1.00 0.26 C ATOM 544 O LYS A 38 5.584 -7.679 3.775 1.00 0.24 O ATOM 545 CB LYS A 38 4.407 -9.819 5.865 1.00 0.35 C ATOM 546 CG LYS A 38 5.570 -10.453 6.560 1.00 0.73 C ATOM 547 CD LYS A 38 5.747 -11.882 6.115 1.00 1.05 C ATOM 548 CE LYS A 38 4.477 -12.688 6.294 1.00 0.94 C ATOM 549 NZ LYS A 38 4.702 -14.137 6.065 1.00 1.74 N ATOM 0 H LYS A 38 2.785 -8.556 4.626 1.00 0.24 H new ATOM 0 HA LYS A 38 4.584 -7.888 6.796 1.00 0.27 H new ATOM 0 HB2 LYS A 38 3.489 -10.108 6.378 1.00 0.35 H new ATOM 0 HB3 LYS A 38 4.344 -10.214 4.851 1.00 0.35 H new ATOM 0 HG2 LYS A 38 6.477 -9.887 6.350 1.00 0.73 H new ATOM 0 HG3 LYS A 38 5.417 -10.420 7.639 1.00 0.73 H new ATOM 0 HD2 LYS A 38 6.046 -11.902 5.067 1.00 1.05 H new ATOM 0 HD3 LYS A 38 6.554 -12.343 6.685 1.00 1.05 H new ATOM 0 HE2 LYS A 38 4.090 -12.536 7.302 1.00 0.94 H new ATOM 0 HE3 LYS A 38 3.717 -12.325 5.602 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 3.808 -14.652 6.197 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 5.047 -14.286 5.095 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 5.409 -14.490 6.742 1.00 1.74 H new ATOM 563 N GLY A 39 6.805 -7.761 5.647 1.00 0.34 N ATOM 564 CA GLY A 39 8.027 -7.381 4.976 1.00 0.39 C ATOM 565 C GLY A 39 8.923 -8.576 4.747 1.00 0.38 C ATOM 566 O GLY A 39 8.469 -9.614 4.264 1.00 0.40 O ATOM 0 H GLY A 39 6.899 -7.914 6.651 1.00 0.34 H new ATOM 0 HA2 GLY A 39 7.789 -6.914 4.020 1.00 0.39 H new ATOM 0 HA3 GLY A 39 8.555 -6.637 5.572 1.00 0.39 H new ATOM 570 N ASN A 40 10.189 -8.442 5.103 1.00 0.42 N ATOM 571 CA ASN A 40 11.126 -9.555 5.020 1.00 0.46 C ATOM 572 C ASN A 40 10.747 -10.604 6.071 1.00 0.45 C ATOM 573 O ASN A 40 9.930 -10.323 6.944 1.00 0.42 O ATOM 574 CB ASN A 40 12.564 -9.042 5.221 1.00 0.56 C ATOM 575 CG ASN A 40 13.614 -10.130 5.107 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.437 -11.110 4.384 1.00 0.89 O ATOM 577 ND2 ASN A 40 14.720 -9.961 5.811 1.00 1.69 N ATOM 0 H ASN A 40 10.594 -7.574 5.453 1.00 0.42 H new ATOM 0 HA ASN A 40 11.077 -10.020 4.035 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.772 -8.268 4.482 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.641 -8.575 6.203 1.00 0.56 H new ATOM 0 HD21 ASN A 40 15.464 -10.657 5.766 1.00 1.69 H new ATOM 0 HD22 ASN A 40 14.829 -9.135 6.399 1.00 1.69 H new ATOM 584 N SER A 41 11.319 -11.796 5.985 1.00 0.57 N ATOM 585 CA SER A 41 10.921 -12.903 6.850 1.00 0.65 C ATOM 586 C SER A 41 11.001 -12.519 8.331 1.00 0.63 C ATOM 587 O SER A 41 10.058 -12.748 9.093 1.00 0.75 O ATOM 588 CB SER A 41 11.790 -14.130 6.571 1.00 0.94 C ATOM 589 OG SER A 41 11.248 -15.284 7.183 1.00 1.58 O ATOM 0 H SER A 41 12.062 -12.024 5.324 1.00 0.57 H new ATOM 0 HA SER A 41 9.882 -13.143 6.627 1.00 0.65 H new ATOM 0 HB2 SER A 41 11.869 -14.287 5.495 1.00 0.94 H new ATOM 0 HB3 SER A 41 12.800 -13.957 6.943 1.00 0.94 H new ATOM 0 HG SER A 41 11.820 -16.056 6.990 1.00 1.58 H new ATOM 595 N SER A 42 12.115 -11.912 8.729 1.00 0.70 N ATOM 596 CA SER A 42 12.307 -11.488 10.114 1.00 0.85 C ATOM 597 C SER A 42 11.538 -10.193 10.404 1.00 0.84 C ATOM 598 O SER A 42 11.424 -9.764 11.551 1.00 1.07 O ATOM 599 CB SER A 42 13.798 -11.289 10.385 1.00 1.03 C ATOM 600 OG SER A 42 14.538 -12.437 10.003 1.00 1.61 O ATOM 0 H SER A 42 12.900 -11.702 8.112 1.00 0.70 H new ATOM 0 HA SER A 42 11.918 -12.264 10.773 1.00 0.85 H new ATOM 0 HB2 SER A 42 14.159 -10.419 9.836 1.00 1.03 H new ATOM 0 HB3 SER A 42 13.955 -11.085 11.444 1.00 1.03 H new ATOM 0 HG SER A 42 15.490 -12.288 10.183 1.00 1.61 H new ATOM 606 N GLN A 43 10.989 -9.603 9.353 1.00 0.71 N ATOM 607 CA GLN A 43 10.292 -8.323 9.433 1.00 0.85 C ATOM 608 C GLN A 43 8.787 -8.517 9.271 1.00 0.89 C ATOM 609 O GLN A 43 8.109 -7.684 8.668 1.00 1.47 O ATOM 610 CB GLN A 43 10.812 -7.344 8.377 1.00 0.90 C ATOM 611 CG GLN A 43 12.300 -7.058 8.484 1.00 1.37 C ATOM 612 CD GLN A 43 12.724 -6.639 9.878 1.00 1.82 C ATOM 613 OE1 GLN A 43 13.103 -7.473 10.697 1.00 2.47 O ATOM 614 NE2 GLN A 43 12.651 -5.353 10.164 1.00 2.27 N ATOM 0 H GLN A 43 11.013 -9.999 8.413 1.00 0.71 H new ATOM 0 HA GLN A 43 10.488 -7.901 10.419 1.00 0.85 H new ATOM 0 HB2 GLN A 43 10.599 -7.746 7.387 1.00 0.90 H new ATOM 0 HB3 GLN A 43 10.264 -6.406 8.464 1.00 0.90 H new ATOM 0 HG2 GLN A 43 12.857 -7.948 8.193 1.00 1.37 H new ATOM 0 HG3 GLN A 43 12.565 -6.271 7.778 1.00 1.37 H new ATOM 0 HE21 GLN A 43 12.331 -4.691 9.457 1.00 2.27 H new ATOM 0 HE22 GLN A 43 12.914 -5.021 11.092 1.00 2.27 H new ATOM 623 N GLN A 44 8.294 -9.667 9.729 1.00 0.61 N ATOM 624 CA GLN A 44 6.879 -10.025 9.601 1.00 0.58 C ATOM 625 C GLN A 44 5.943 -9.006 10.292 1.00 0.65 C ATOM 626 O GLN A 44 6.369 -7.908 10.643 1.00 1.34 O ATOM 627 CB GLN A 44 6.624 -11.442 10.139 1.00 0.63 C ATOM 628 CG GLN A 44 6.717 -11.592 11.644 1.00 1.03 C ATOM 629 CD GLN A 44 8.097 -11.328 12.228 1.00 1.58 C ATOM 630 OE1 GLN A 44 8.219 -10.761 13.313 1.00 2.07 O ATOM 631 NE2 GLN A 44 9.142 -11.788 11.558 1.00 2.18 N ATOM 0 H GLN A 44 8.860 -10.375 10.197 1.00 0.61 H new ATOM 0 HA GLN A 44 6.645 -10.002 8.537 1.00 0.58 H new ATOM 0 HB2 GLN A 44 5.632 -11.760 9.820 1.00 0.63 H new ATOM 0 HB3 GLN A 44 7.341 -12.122 9.678 1.00 0.63 H new ATOM 0 HG2 GLN A 44 6.005 -10.909 12.108 1.00 1.03 H new ATOM 0 HG3 GLN A 44 6.411 -12.603 11.914 1.00 1.03 H new ATOM 0 HE21 GLN A 44 9.008 -12.254 10.661 1.00 2.18 H new ATOM 0 HE22 GLN A 44 10.081 -11.677 11.939 1.00 2.18 H new ATOM 640 N THR A 45 4.674 -9.403 10.490 1.00 0.27 N ATOM 641 CA THR A 45 3.579 -8.528 10.958 1.00 0.30 C ATOM 642 C THR A 45 3.334 -7.368 9.999 1.00 0.25 C ATOM 643 O THR A 45 4.263 -6.682 9.575 1.00 0.35 O ATOM 644 CB THR A 45 3.757 -7.995 12.408 1.00 0.47 C ATOM 645 OG1 THR A 45 4.985 -7.283 12.581 1.00 0.57 O ATOM 646 CG2 THR A 45 3.690 -9.134 13.407 1.00 0.59 C ATOM 0 H THR A 45 4.372 -10.363 10.326 1.00 0.27 H new ATOM 0 HA THR A 45 2.701 -9.174 10.975 1.00 0.30 H new ATOM 0 HB THR A 45 2.938 -7.298 12.587 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.390 -7.111 11.705 1.00 0.57 H new ATOM 0 HG21 THR A 45 3.817 -8.741 14.416 1.00 0.59 H new ATOM 0 HG22 THR A 45 2.722 -9.630 13.329 1.00 0.59 H new ATOM 0 HG23 THR A 45 4.483 -9.851 13.195 1.00 0.59 H new ATOM 654 N LYS A 46 2.072 -7.162 9.634 1.00 0.21 N ATOM 655 CA LYS A 46 1.737 -6.117 8.682 1.00 0.18 C ATOM 656 C LYS A 46 1.932 -4.738 9.281 1.00 0.17 C ATOM 657 O LYS A 46 1.386 -4.416 10.336 1.00 0.21 O ATOM 658 CB LYS A 46 0.303 -6.217 8.181 1.00 0.20 C ATOM 659 CG LYS A 46 -0.066 -7.555 7.572 1.00 0.23 C ATOM 660 CD LYS A 46 -1.121 -7.381 6.494 1.00 0.24 C ATOM 661 CE LYS A 46 -1.632 -8.712 5.973 1.00 0.34 C ATOM 662 NZ LYS A 46 -2.316 -8.564 4.659 1.00 0.55 N ATOM 0 H LYS A 46 1.276 -7.699 9.980 1.00 0.21 H new ATOM 0 HA LYS A 46 2.416 -6.262 7.842 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.372 -6.013 9.012 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.138 -5.437 7.437 1.00 0.20 H new ATOM 0 HG2 LYS A 46 0.821 -8.024 7.147 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.439 -8.223 8.348 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -1.955 -6.805 6.894 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.703 -6.806 5.668 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -0.799 -9.408 5.873 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.323 -9.145 6.696 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -2.919 -9.393 4.486 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -2.902 -7.705 4.668 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -1.605 -8.490 3.904 1.00 0.55 H new ATOM 676 N GLU A 47 2.715 -3.946 8.586 1.00 0.13 N ATOM 677 CA GLU A 47 2.882 -2.531 8.870 1.00 0.14 C ATOM 678 C GLU A 47 3.000 -1.837 7.543 1.00 0.11 C ATOM 679 O GLU A 47 3.449 -2.450 6.575 1.00 0.12 O ATOM 680 CB GLU A 47 4.124 -2.251 9.716 1.00 0.18 C ATOM 681 CG GLU A 47 4.086 -2.937 11.061 1.00 0.32 C ATOM 682 CD GLU A 47 5.373 -2.786 11.845 1.00 0.33 C ATOM 683 OE1 GLU A 47 5.538 -1.756 12.527 1.00 0.64 O ATOM 684 OE2 GLU A 47 6.222 -3.699 11.797 1.00 0.47 O ATOM 0 H GLU A 47 3.266 -4.269 7.791 1.00 0.13 H new ATOM 0 HA GLU A 47 2.030 -2.170 9.447 1.00 0.14 H new ATOM 0 HB2 GLU A 47 5.010 -2.579 9.172 1.00 0.18 H new ATOM 0 HB3 GLU A 47 4.221 -1.176 9.865 1.00 0.18 H new ATOM 0 HG2 GLU A 47 3.262 -2.529 11.646 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.879 -3.997 10.915 1.00 0.32 H new ATOM 691 N TRP A 48 2.555 -0.598 7.468 1.00 0.11 N ATOM 692 CA TRP A 48 2.655 0.139 6.233 1.00 0.11 C ATOM 693 C TRP A 48 4.087 0.182 5.755 1.00 0.10 C ATOM 694 O TRP A 48 4.949 0.794 6.372 1.00 0.12 O ATOM 695 CB TRP A 48 2.143 1.551 6.389 1.00 0.12 C ATOM 696 CG TRP A 48 0.665 1.665 6.297 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.194 2.084 7.268 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.131 1.344 5.158 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.478 2.071 6.782 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.464 1.604 5.495 1.00 0.12 C ATOM 701 CE3 TRP A 48 0.163 0.865 3.879 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.510 1.401 4.601 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -0.873 0.659 2.996 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.195 0.927 3.358 1.00 0.14 C ATOM 0 H TRP A 48 2.126 -0.089 8.241 1.00 0.11 H new ATOM 0 HA TRP A 48 2.038 -0.378 5.498 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.469 1.942 7.353 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.595 2.179 5.621 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.091 2.381 8.266 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.309 2.362 7.297 1.00 0.13 H new ATOM 0 HE3 TRP A 48 1.183 0.660 3.589 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.533 1.610 4.878 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.660 0.284 2.006 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -2.985 0.756 2.641 1.00 0.14 H new ATOM 715 N ARG A 49 4.336 -0.472 4.661 1.00 0.11 N ATOM 716 CA ARG A 49 5.646 -0.483 4.086 1.00 0.13 C ATOM 717 C ARG A 49 5.529 -0.160 2.621 1.00 0.11 C ATOM 718 O ARG A 49 4.436 -0.211 2.050 1.00 0.13 O ATOM 719 CB ARG A 49 6.305 -1.849 4.287 1.00 0.15 C ATOM 720 CG ARG A 49 6.669 -2.143 5.732 1.00 0.21 C ATOM 721 CD ARG A 49 6.994 -3.610 5.937 1.00 0.31 C ATOM 722 NE ARG A 49 7.283 -3.920 7.330 1.00 0.51 N ATOM 723 CZ ARG A 49 6.612 -4.812 8.050 1.00 0.30 C ATOM 724 NH1 ARG A 49 5.591 -5.462 7.525 1.00 0.82 N ATOM 725 NH2 ARG A 49 6.952 -5.047 9.305 1.00 0.45 N ATOM 0 H ARG A 49 3.641 -1.010 4.144 1.00 0.11 H new ATOM 0 HA ARG A 49 6.272 0.263 4.576 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.630 -2.625 3.926 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.206 -1.901 3.676 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.526 -1.536 6.023 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.841 -1.859 6.382 1.00 0.21 H new ATOM 0 HD2 ARG A 49 6.155 -4.217 5.598 1.00 0.31 H new ATOM 0 HD3 ARG A 49 7.852 -3.880 5.321 1.00 0.31 H new ATOM 0 HE ARG A 49 8.049 -3.421 7.782 1.00 0.51 H new ATOM 0 HH11 ARG A 49 5.313 -5.281 6.561 1.00 0.82 H new ATOM 0 HH12 ARG A 49 5.080 -6.146 8.083 1.00 0.82 H new ATOM 0 HH21 ARG A 49 7.733 -4.542 9.725 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.434 -5.733 9.854 1.00 0.45 H new ATOM 739 N CYS A 50 6.638 0.162 2.011 1.00 0.11 N ATOM 740 CA CYS A 50 6.638 0.436 0.608 1.00 0.11 C ATOM 741 C CYS A 50 7.155 -0.793 -0.095 1.00 0.11 C ATOM 742 O CYS A 50 8.274 -1.229 0.146 1.00 0.17 O ATOM 743 CB CYS A 50 7.532 1.646 0.320 1.00 0.19 C ATOM 744 SG CYS A 50 7.075 3.129 1.250 1.00 1.13 S ATOM 0 H CYS A 50 7.548 0.240 2.466 1.00 0.11 H new ATOM 0 HA CYS A 50 5.634 0.671 0.254 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.565 1.386 0.553 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.492 1.870 -0.746 1.00 0.19 H new ATOM 0 HG CYS A 50 5.899 3.533 0.872 1.00 1.13 H new ATOM 750 N TYR A 51 6.331 -1.342 -0.956 1.00 0.10 N ATOM 751 CA TYR A 51 6.662 -2.549 -1.676 1.00 0.11 C ATOM 752 C TYR A 51 6.582 -2.264 -3.150 1.00 0.10 C ATOM 753 O TYR A 51 5.534 -1.856 -3.646 1.00 0.11 O ATOM 754 CB TYR A 51 5.681 -3.672 -1.345 1.00 0.11 C ATOM 755 CG TYR A 51 5.586 -4.029 0.106 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.715 -4.247 0.873 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.351 -4.161 0.703 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.612 -4.582 2.207 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.234 -4.495 2.032 1.00 0.16 C ATOM 760 CZ TYR A 51 5.367 -4.701 2.780 1.00 0.16 C ATOM 761 OH TYR A 51 5.255 -5.028 4.105 1.00 0.20 O ATOM 0 H TYR A 51 5.410 -0.963 -1.177 1.00 0.10 H new ATOM 0 HA TYR A 51 7.665 -2.864 -1.388 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.691 -3.383 -1.697 1.00 0.11 H new ATOM 0 HB3 TYR A 51 5.971 -4.562 -1.903 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.692 -4.154 0.421 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.459 -3.999 0.117 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.501 -4.749 2.797 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.258 -4.595 2.484 1.00 0.16 H new ATOM 0 HH TYR A 51 4.369 -4.767 4.432 1.00 0.20 H new ATOM 771 N ILE A 52 7.670 -2.438 -3.859 1.00 0.11 N ATOM 772 CA ILE A 52 7.606 -2.308 -5.292 1.00 0.12 C ATOM 773 C ILE A 52 6.874 -3.500 -5.876 1.00 0.15 C ATOM 774 O ILE A 52 6.848 -4.556 -5.254 1.00 0.17 O ATOM 775 CB ILE A 52 8.979 -2.147 -5.947 1.00 0.15 C ATOM 776 CG1 ILE A 52 10.026 -2.905 -5.194 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.367 -0.685 -6.022 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.369 -2.792 -5.861 1.00 0.24 C ATOM 0 H ILE A 52 8.589 -2.664 -3.479 1.00 0.11 H new ATOM 0 HA ILE A 52 7.060 -1.390 -5.508 1.00 0.12 H new ATOM 0 HB ILE A 52 8.912 -2.552 -6.957 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.091 -2.524 -4.175 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.739 -3.954 -5.125 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.347 -0.592 -6.491 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.629 -0.143 -6.613 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.405 -0.267 -5.016 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.108 -3.354 -5.289 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.309 -3.196 -6.872 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.666 -1.744 -5.906 1.00 0.24 H new ATOM 790 N GLU A 53 6.268 -3.330 -7.036 1.00 0.16 N ATOM 791 CA GLU A 53 5.474 -4.376 -7.666 1.00 0.18 C ATOM 792 C GLU A 53 6.241 -5.696 -7.698 1.00 0.20 C ATOM 793 O GLU A 53 5.652 -6.777 -7.607 1.00 0.24 O ATOM 794 CB GLU A 53 5.074 -3.945 -9.069 1.00 0.19 C ATOM 795 CG GLU A 53 4.236 -4.974 -9.785 1.00 0.22 C ATOM 796 CD GLU A 53 3.790 -4.501 -11.149 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.796 -3.750 -11.227 1.00 0.34 O ATOM 798 OE2 GLU A 53 4.434 -4.879 -12.151 1.00 0.39 O ATOM 0 H GLU A 53 6.311 -2.463 -7.571 1.00 0.16 H new ATOM 0 HA GLU A 53 4.570 -4.534 -7.078 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.519 -3.009 -9.011 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.973 -3.747 -9.652 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.808 -5.895 -9.892 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.360 -5.211 -9.181 1.00 0.22 H new ATOM 805 N LYS A 54 7.561 -5.578 -7.789 1.00 0.20 N ATOM 806 CA LYS A 54 8.471 -6.710 -7.691 1.00 0.24 C ATOM 807 C LYS A 54 8.125 -7.627 -6.515 1.00 0.25 C ATOM 808 O LYS A 54 8.147 -8.853 -6.631 1.00 0.30 O ATOM 809 CB LYS A 54 9.900 -6.184 -7.494 1.00 0.26 C ATOM 810 CG LYS A 54 10.574 -5.709 -8.769 1.00 0.79 C ATOM 811 CD LYS A 54 12.044 -5.386 -8.532 1.00 1.67 C ATOM 812 CE LYS A 54 12.820 -6.620 -8.090 1.00 2.57 C ATOM 813 NZ LYS A 54 14.248 -6.317 -7.800 1.00 3.37 N ATOM 0 H LYS A 54 8.032 -4.685 -7.934 1.00 0.20 H new ATOM 0 HA LYS A 54 8.383 -7.288 -8.611 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.876 -5.360 -6.781 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.506 -6.973 -7.049 1.00 0.26 H new ATOM 0 HG2 LYS A 54 10.488 -6.478 -9.536 1.00 0.79 H new ATOM 0 HG3 LYS A 54 10.061 -4.824 -9.146 1.00 0.79 H new ATOM 0 HD2 LYS A 54 12.482 -4.987 -9.447 1.00 1.67 H new ATOM 0 HD3 LYS A 54 12.129 -4.609 -7.772 1.00 1.67 H new ATOM 0 HE2 LYS A 54 12.352 -7.041 -7.200 1.00 2.57 H new ATOM 0 HE3 LYS A 54 12.763 -7.380 -8.869 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 14.750 -7.198 -7.569 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 14.686 -5.877 -8.635 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 14.307 -5.663 -6.993 1.00 3.37 H new ATOM 827 N GLU A 55 7.786 -7.003 -5.402 1.00 0.22 N ATOM 828 CA GLU A 55 7.676 -7.678 -4.119 1.00 0.26 C ATOM 829 C GLU A 55 6.243 -8.112 -3.804 1.00 0.24 C ATOM 830 O GLU A 55 6.026 -8.980 -2.960 1.00 0.38 O ATOM 831 CB GLU A 55 8.192 -6.720 -3.050 1.00 0.28 C ATOM 832 CG GLU A 55 9.586 -6.205 -3.371 1.00 0.27 C ATOM 833 CD GLU A 55 10.638 -7.293 -3.357 1.00 0.32 C ATOM 834 OE1 GLU A 55 10.738 -8.010 -2.344 1.00 0.71 O ATOM 835 OE2 GLU A 55 11.395 -7.402 -4.345 1.00 0.70 O ATOM 0 H GLU A 55 7.577 -6.005 -5.361 1.00 0.22 H new ATOM 0 HA GLU A 55 8.267 -8.593 -4.146 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.507 -5.877 -2.957 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.206 -7.227 -2.085 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.575 -5.731 -4.353 1.00 0.27 H new ATOM 0 HG3 GLU A 55 9.858 -5.435 -2.649 1.00 0.27 H new ATOM 842 N LEU A 56 5.266 -7.508 -4.468 1.00 0.15 N ATOM 843 CA LEU A 56 3.878 -7.855 -4.237 1.00 0.14 C ATOM 844 C LEU A 56 3.473 -9.064 -5.051 1.00 0.16 C ATOM 845 O LEU A 56 4.133 -9.445 -6.017 1.00 0.22 O ATOM 846 CB LEU A 56 2.942 -6.714 -4.612 1.00 0.14 C ATOM 847 CG LEU A 56 2.908 -5.515 -3.674 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.200 -4.754 -3.774 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.759 -4.612 -4.057 1.00 0.15 C ATOM 0 H LEU A 56 5.412 -6.779 -5.167 1.00 0.15 H new ATOM 0 HA LEU A 56 3.793 -8.069 -3.172 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.219 -6.360 -5.605 1.00 0.14 H new ATOM 0 HB3 LEU A 56 1.931 -7.115 -4.687 1.00 0.14 H new ATOM 0 HG LEU A 56 2.775 -5.862 -2.649 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.171 -3.897 -3.101 1.00 0.12 H new ATOM 0 HD12 LEU A 56 5.028 -5.406 -3.496 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.339 -4.407 -4.798 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.732 -3.753 -3.387 1.00 0.15 H new ATOM 0 HD22 LEU A 56 1.893 -4.268 -5.083 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.822 -5.163 -3.978 1.00 0.15 H new ATOM 861 N ASP A 57 2.364 -9.639 -4.653 1.00 0.16 N ATOM 862 CA ASP A 57 1.732 -10.707 -5.402 1.00 0.19 C ATOM 863 C ASP A 57 0.287 -10.334 -5.662 1.00 0.21 C ATOM 864 O ASP A 57 -0.497 -10.165 -4.727 1.00 0.24 O ATOM 865 CB ASP A 57 1.793 -12.033 -4.640 1.00 0.22 C ATOM 866 CG ASP A 57 1.184 -13.185 -5.420 1.00 0.28 C ATOM 867 OD1 ASP A 57 0.979 -13.044 -6.641 1.00 0.98 O ATOM 868 OD2 ASP A 57 0.911 -14.241 -4.812 1.00 0.80 O ATOM 0 H ASP A 57 1.870 -9.381 -3.799 1.00 0.16 H new ATOM 0 HA ASP A 57 2.266 -10.837 -6.343 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.832 -12.266 -4.407 1.00 0.22 H new ATOM 0 HB3 ASP A 57 1.270 -11.926 -3.690 1.00 0.22 H new ATOM 873 N PHE A 58 -0.059 -10.183 -6.925 1.00 0.21 N ATOM 874 CA PHE A 58 -1.415 -9.820 -7.306 1.00 0.23 C ATOM 875 C PHE A 58 -2.328 -11.038 -7.313 1.00 0.28 C ATOM 876 O PHE A 58 -3.517 -10.939 -7.615 1.00 0.35 O ATOM 877 CB PHE A 58 -1.414 -9.130 -8.661 1.00 0.27 C ATOM 878 CG PHE A 58 -1.078 -7.670 -8.576 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.231 -7.242 -8.402 1.00 0.25 C ATOM 880 CD2 PHE A 58 -2.079 -6.727 -8.684 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.532 -5.894 -8.343 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.787 -5.376 -8.622 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.478 -4.959 -8.455 1.00 0.31 C ATOM 0 H PHE A 58 0.581 -10.306 -7.710 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.805 -9.123 -6.564 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.695 -9.625 -9.314 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.395 -9.245 -9.122 1.00 0.27 H new ATOM 0 HD1 PHE A 58 1.023 -7.970 -8.312 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -3.102 -7.047 -8.818 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.555 -5.573 -8.210 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.580 -4.647 -8.704 1.00 0.33 H new ATOM 0 HZ PHE A 58 -0.247 -3.905 -8.412 1.00 0.31 H new ATOM 893 N SER A 59 -1.765 -12.186 -6.960 1.00 0.27 N ATOM 894 CA SER A 59 -2.555 -13.384 -6.751 1.00 0.33 C ATOM 895 C SER A 59 -2.991 -13.410 -5.296 1.00 0.33 C ATOM 896 O SER A 59 -3.762 -14.264 -4.863 1.00 0.38 O ATOM 897 CB SER A 59 -1.767 -14.633 -7.109 1.00 0.38 C ATOM 898 OG SER A 59 -2.610 -15.773 -7.150 1.00 1.29 O ATOM 0 H SER A 59 -0.763 -12.309 -6.813 1.00 0.27 H new ATOM 0 HA SER A 59 -3.429 -13.369 -7.402 1.00 0.33 H new ATOM 0 HB2 SER A 59 -1.285 -14.498 -8.077 1.00 0.38 H new ATOM 0 HB3 SER A 59 -0.974 -14.789 -6.377 1.00 0.38 H new ATOM 0 HG SER A 59 -3.229 -15.749 -6.391 1.00 1.29 H new ATOM 904 N LYS A 60 -2.483 -12.440 -4.555 1.00 0.29 N ATOM 905 CA LYS A 60 -2.909 -12.197 -3.199 1.00 0.29 C ATOM 906 C LYS A 60 -3.802 -10.981 -3.196 1.00 0.29 C ATOM 907 O LYS A 60 -3.429 -9.931 -3.728 1.00 0.30 O ATOM 908 CB LYS A 60 -1.721 -11.921 -2.279 1.00 0.31 C ATOM 909 CG LYS A 60 -1.385 -13.033 -1.294 1.00 0.46 C ATOM 910 CD LYS A 60 -0.520 -14.117 -1.917 1.00 0.97 C ATOM 911 CE LYS A 60 -1.326 -15.086 -2.764 1.00 1.43 C ATOM 912 NZ LYS A 60 -0.452 -16.072 -3.451 1.00 2.40 N ATOM 0 H LYS A 60 -1.761 -11.799 -4.884 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.430 -13.083 -2.835 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -0.843 -11.727 -2.895 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -1.923 -11.009 -1.717 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -0.867 -12.609 -0.434 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -2.309 -13.477 -0.923 1.00 0.46 H new ATOM 0 HD2 LYS A 60 0.250 -13.654 -2.534 1.00 0.97 H new ATOM 0 HD3 LYS A 60 -0.008 -14.668 -1.128 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -2.043 -15.612 -2.133 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -1.901 -14.531 -3.505 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -1.015 -16.617 -4.135 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 0.310 -15.571 -3.951 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 -0.039 -16.719 -2.749 1.00 2.40 H new ATOM 926 N SER A 61 -4.981 -11.104 -2.623 1.00 0.33 N ATOM 927 CA SER A 61 -5.834 -9.955 -2.495 1.00 0.36 C ATOM 928 C SER A 61 -5.290 -9.068 -1.399 1.00 0.40 C ATOM 929 O SER A 61 -5.074 -9.513 -0.268 1.00 0.49 O ATOM 930 CB SER A 61 -7.273 -10.352 -2.209 1.00 0.45 C ATOM 931 OG SER A 61 -7.362 -11.205 -1.078 1.00 1.19 O ATOM 0 H SER A 61 -5.360 -11.973 -2.247 1.00 0.33 H new ATOM 0 HA SER A 61 -5.842 -9.412 -3.440 1.00 0.36 H new ATOM 0 HB2 SER A 61 -7.872 -9.457 -2.039 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.693 -10.856 -3.080 1.00 0.45 H new ATOM 0 HG SER A 61 -7.454 -10.664 -0.266 1.00 1.19 H new ATOM 937 N GLY A 62 -5.044 -7.829 -1.745 1.00 0.42 N ATOM 938 CA GLY A 62 -4.401 -6.931 -0.831 1.00 0.53 C ATOM 939 C GLY A 62 -5.369 -6.365 0.165 1.00 0.36 C ATOM 940 O GLY A 62 -5.829 -5.238 0.017 1.00 0.28 O ATOM 0 H GLY A 62 -5.280 -7.424 -2.651 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -3.604 -7.456 -0.305 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.934 -6.118 -1.387 1.00 0.53 H new ATOM 944 N ASP A 63 -5.687 -7.148 1.180 1.00 0.39 N ATOM 945 CA ASP A 63 -6.500 -6.674 2.290 1.00 0.35 C ATOM 946 C ASP A 63 -5.626 -5.853 3.230 1.00 0.28 C ATOM 947 O ASP A 63 -5.826 -5.829 4.446 1.00 0.36 O ATOM 948 CB ASP A 63 -7.125 -7.853 3.043 1.00 0.53 C ATOM 949 CG ASP A 63 -8.095 -8.652 2.195 1.00 1.59 C ATOM 950 OD1 ASP A 63 -7.657 -9.598 1.501 1.00 2.10 O ATOM 951 OD2 ASP A 63 -9.307 -8.350 2.236 1.00 2.41 O ATOM 0 H ASP A 63 -5.393 -8.122 1.260 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.309 -6.053 1.904 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -6.332 -8.512 3.396 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -7.645 -7.479 3.925 1.00 0.53 H new ATOM 956 N GLY A 64 -4.641 -5.197 2.633 1.00 0.19 N ATOM 957 CA GLY A 64 -3.694 -4.392 3.361 1.00 0.17 C ATOM 958 C GLY A 64 -3.458 -3.073 2.660 1.00 0.14 C ATOM 959 O GLY A 64 -2.372 -2.522 2.686 1.00 0.20 O ATOM 0 H GLY A 64 -4.483 -5.214 1.625 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -4.064 -4.211 4.370 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.751 -4.931 3.459 1.00 0.17 H new ATOM 963 N CYS A 65 -4.473 -2.584 1.993 1.00 0.16 N ATOM 964 CA CYS A 65 -4.416 -1.271 1.376 1.00 0.19 C ATOM 965 C CYS A 65 -5.168 -0.313 2.264 1.00 0.20 C ATOM 966 O CYS A 65 -5.536 -0.657 3.373 1.00 0.28 O ATOM 967 CB CYS A 65 -5.065 -1.318 -0.006 1.00 0.20 C ATOM 968 SG CYS A 65 -4.608 -2.771 -0.968 1.00 0.30 S ATOM 0 H CYS A 65 -5.357 -3.075 1.860 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.381 -0.949 1.258 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.149 -1.295 0.110 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -4.785 -0.422 -0.561 1.00 0.20 H new ATOM 0 HG CYS A 65 -5.284 -3.799 -0.549 1.00 0.30 H new ATOM 974 N VAL A 66 -5.371 0.884 1.793 1.00 0.23 N ATOM 975 CA VAL A 66 -6.267 1.804 2.446 1.00 0.20 C ATOM 976 C VAL A 66 -7.143 2.410 1.393 1.00 0.20 C ATOM 977 O VAL A 66 -6.708 2.635 0.268 1.00 0.25 O ATOM 978 CB VAL A 66 -5.525 2.901 3.226 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.331 3.373 2.434 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.434 4.072 3.551 1.00 0.20 C ATOM 0 H VAL A 66 -4.925 1.251 0.952 1.00 0.23 H new ATOM 0 HA VAL A 66 -6.857 1.259 3.183 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.190 2.473 4.171 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -3.809 4.151 2.992 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.656 2.535 2.260 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.665 3.775 1.477 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -5.873 4.826 4.103 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.813 4.506 2.626 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.270 3.726 4.158 1.00 0.20 H new ATOM 990 N ASP A 67 -8.377 2.627 1.743 1.00 0.18 N ATOM 991 CA ASP A 67 -9.333 3.145 0.798 1.00 0.23 C ATOM 992 C ASP A 67 -9.184 4.662 0.753 1.00 0.24 C ATOM 993 O ASP A 67 -8.098 5.175 1.026 1.00 0.26 O ATOM 994 CB ASP A 67 -10.731 2.703 1.209 1.00 0.29 C ATOM 995 CG ASP A 67 -11.678 2.605 0.031 1.00 0.85 C ATOM 996 OD1 ASP A 67 -12.249 3.637 -0.366 1.00 1.04 O ATOM 997 OD2 ASP A 67 -11.837 1.488 -0.515 1.00 1.49 O ATOM 0 H ASP A 67 -8.749 2.454 2.677 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.157 2.759 -0.206 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -10.671 1.734 1.705 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -11.133 3.409 1.936 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.228 5.395 0.415 1.00 0.28 N ATOM 1003 CA ASP A 68 -10.107 6.854 0.431 1.00 0.32 C ATOM 1004 C ASP A 68 -10.017 7.356 1.866 1.00 0.33 C ATOM 1005 O ASP A 68 -9.404 8.373 2.128 1.00 0.73 O ATOM 1006 CB ASP A 68 -11.231 7.573 -0.334 1.00 0.45 C ATOM 1007 CG ASP A 68 -12.624 7.205 0.122 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -12.946 7.423 1.304 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -13.413 6.716 -0.710 1.00 1.41 O ATOM 0 H ASP A 68 -11.139 5.030 0.135 1.00 0.28 H new ATOM 0 HA ASP A 68 -9.186 7.097 -0.099 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -11.098 8.649 -0.226 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -11.136 7.345 -1.396 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.609 6.632 2.799 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.436 6.922 4.202 1.00 0.28 C ATOM 1016 C CYS A 69 -9.430 5.930 4.779 1.00 0.24 C ATOM 1017 O CYS A 69 -9.230 4.864 4.199 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.778 6.787 4.907 1.00 0.40 C ATOM 1019 SG CYS A 69 -13.104 6.124 3.871 1.00 1.49 S ATOM 0 H CYS A 69 -11.216 5.836 2.604 1.00 0.32 H new ATOM 0 HA CYS A 69 -10.066 7.937 4.343 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -11.655 6.140 5.776 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.079 7.766 5.279 1.00 0.40 H new ATOM 0 HG CYS A 69 -13.013 6.626 2.675 1.00 1.49 H new ATOM 1025 N GLY A 70 -8.806 6.256 5.914 1.00 0.25 N ATOM 1026 CA GLY A 70 -7.766 5.387 6.449 1.00 0.25 C ATOM 1027 C GLY A 70 -8.348 4.162 7.115 1.00 0.28 C ATOM 1028 O GLY A 70 -8.361 4.034 8.338 1.00 0.36 O ATOM 0 H GLY A 70 -8.998 7.093 6.464 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.098 5.081 5.644 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.164 5.941 7.169 1.00 0.25 H new ATOM 1032 N SER A 71 -8.823 3.272 6.274 1.00 0.25 N ATOM 1033 CA SER A 71 -9.307 1.973 6.661 1.00 0.28 C ATOM 1034 C SER A 71 -8.753 0.989 5.652 1.00 0.25 C ATOM 1035 O SER A 71 -8.779 1.263 4.448 1.00 0.24 O ATOM 1036 CB SER A 71 -10.838 1.956 6.663 1.00 0.34 C ATOM 1037 OG SER A 71 -11.343 0.694 7.063 1.00 1.10 O ATOM 0 H SER A 71 -8.884 3.441 5.270 1.00 0.25 H new ATOM 0 HA SER A 71 -8.985 1.712 7.669 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.211 2.728 7.336 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.207 2.197 5.666 1.00 0.34 H new ATOM 0 HG SER A 71 -11.709 0.226 6.283 1.00 1.10 H new ATOM 1043 N MET A 72 -8.217 -0.123 6.119 1.00 0.32 N ATOM 1044 CA MET A 72 -7.528 -1.025 5.225 1.00 0.30 C ATOM 1045 C MET A 72 -8.491 -1.747 4.296 1.00 0.30 C ATOM 1046 O MET A 72 -9.281 -2.596 4.712 1.00 0.46 O ATOM 1047 CB MET A 72 -6.637 -1.986 5.980 1.00 0.36 C ATOM 1048 CG MET A 72 -7.380 -2.738 7.027 1.00 0.85 C ATOM 1049 SD MET A 72 -6.304 -3.596 8.197 1.00 1.03 S ATOM 1050 CE MET A 72 -5.456 -2.210 8.954 1.00 1.68 C ATOM 0 H MET A 72 -8.245 -0.417 7.095 1.00 0.32 H new ATOM 0 HA MET A 72 -6.878 -0.419 4.593 1.00 0.30 H new ATOM 0 HB2 MET A 72 -6.189 -2.690 5.279 1.00 0.36 H new ATOM 0 HB3 MET A 72 -5.820 -1.433 6.443 1.00 0.36 H new ATOM 0 HG2 MET A 72 -8.021 -2.047 7.574 1.00 0.85 H new ATOM 0 HG3 MET A 72 -8.034 -3.465 6.546 1.00 0.85 H new ATOM 0 HE1 MET A 72 -5.098 -2.498 9.942 1.00 1.68 H new ATOM 0 HE2 MET A 72 -4.610 -1.918 8.332 1.00 1.68 H new ATOM 0 HE3 MET A 72 -6.144 -1.370 9.048 1.00 1.68 H new ATOM 1060 N THR A 73 -8.409 -1.378 3.028 1.00 0.21 N ATOM 1061 CA THR A 73 -9.307 -1.882 2.007 1.00 0.19 C ATOM 1062 C THR A 73 -8.638 -3.002 1.219 1.00 0.18 C ATOM 1063 O THR A 73 -7.422 -3.203 1.317 1.00 0.19 O ATOM 1064 CB THR A 73 -9.756 -0.744 1.060 1.00 0.21 C ATOM 1065 OG1 THR A 73 -10.813 -1.187 0.205 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.606 -0.239 0.205 1.00 0.22 C ATOM 0 H THR A 73 -7.714 -0.718 2.679 1.00 0.21 H new ATOM 0 HA THR A 73 -10.193 -2.284 2.498 1.00 0.19 H new ATOM 0 HB THR A 73 -10.109 0.073 1.689 1.00 0.21 H new ATOM 0 HG1 THR A 73 -10.860 -0.607 -0.584 1.00 0.26 H new ATOM 0 HG21 THR A 73 -8.961 0.559 -0.447 1.00 0.22 H new ATOM 0 HG22 THR A 73 -7.814 0.143 0.849 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.217 -1.057 -0.402 1.00 0.22 H new ATOM 1074 N SER A 74 -9.431 -3.726 0.450 1.00 0.27 N ATOM 1075 CA SER A 74 -8.946 -4.880 -0.274 1.00 0.30 C ATOM 1076 C SER A 74 -8.700 -4.547 -1.745 1.00 0.35 C ATOM 1077 O SER A 74 -9.614 -4.151 -2.467 1.00 0.47 O ATOM 1078 CB SER A 74 -9.948 -6.013 -0.166 1.00 0.37 C ATOM 1079 OG SER A 74 -10.380 -6.192 1.173 1.00 1.25 O ATOM 0 H SER A 74 -10.422 -3.530 0.312 1.00 0.27 H new ATOM 0 HA SER A 74 -7.998 -5.185 0.169 1.00 0.30 H new ATOM 0 HB2 SER A 74 -10.807 -5.803 -0.803 1.00 0.37 H new ATOM 0 HB3 SER A 74 -9.498 -6.936 -0.532 1.00 0.37 H new ATOM 0 HG SER A 74 -10.244 -7.126 1.439 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.459 -4.699 -2.172 1.00 0.30 N ATOM 1086 CA CYS A 75 -7.079 -4.497 -3.564 1.00 0.35 C ATOM 1087 C CYS A 75 -5.858 -5.345 -3.870 1.00 0.33 C ATOM 1088 O CYS A 75 -4.890 -5.330 -3.118 1.00 0.43 O ATOM 1089 CB CYS A 75 -6.794 -3.019 -3.828 1.00 0.39 C ATOM 1090 SG CYS A 75 -6.325 -2.637 -5.532 1.00 1.40 S ATOM 0 H CYS A 75 -6.684 -4.966 -1.565 1.00 0.30 H new ATOM 0 HA CYS A 75 -7.898 -4.800 -4.216 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -7.681 -2.440 -3.570 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -5.995 -2.692 -3.163 1.00 0.39 H new ATOM 0 HG CYS A 75 -6.109 -1.360 -5.647 1.00 1.40 H new ATOM 1096 N ARG A 76 -5.913 -6.077 -4.977 1.00 0.27 N ATOM 1097 CA ARG A 76 -4.926 -7.113 -5.268 1.00 0.26 C ATOM 1098 C ARG A 76 -3.514 -6.560 -5.355 1.00 0.22 C ATOM 1099 O ARG A 76 -3.244 -5.630 -6.106 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.279 -7.863 -6.548 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.345 -8.909 -6.335 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.693 -8.277 -6.142 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.534 -8.388 -7.332 1.00 1.01 N ATOM 1104 CZ ARG A 76 -9.863 -8.472 -7.313 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -10.522 -8.454 -6.158 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -10.531 -8.578 -8.453 1.00 1.87 N ATOM 0 H ARG A 76 -6.634 -5.972 -5.691 1.00 0.27 H new ATOM 0 HA ARG A 76 -4.953 -7.811 -4.431 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.620 -7.151 -7.299 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.382 -8.339 -6.944 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.375 -9.582 -7.192 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -6.096 -9.514 -5.463 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.196 -8.750 -5.299 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.565 -7.225 -5.887 1.00 0.79 H new ATOM 0 HE ARG A 76 -8.071 -8.402 -8.241 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -10.010 -8.375 -5.280 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -11.540 -8.519 -6.151 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -10.027 -8.595 -9.340 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -11.549 -8.643 -8.444 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.636 -7.113 -4.534 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.246 -6.724 -4.548 1.00 0.19 C ATOM 1122 C GLY A 77 -0.627 -6.867 -3.186 1.00 0.24 C ATOM 1123 O GLY A 77 -0.503 -5.896 -2.470 1.00 0.59 O ATOM 0 H GLY A 77 -2.868 -7.834 -3.850 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.701 -7.339 -5.264 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.158 -5.691 -4.883 1.00 0.19 H new ATOM 1127 N SER A 78 -0.230 -8.056 -2.817 1.00 0.20 N ATOM 1128 CA SER A 78 0.251 -8.276 -1.461 1.00 0.17 C ATOM 1129 C SER A 78 1.419 -9.224 -1.389 1.00 0.20 C ATOM 1130 O SER A 78 1.573 -10.126 -2.202 1.00 0.26 O ATOM 1131 CB SER A 78 -0.882 -8.787 -0.580 1.00 0.20 C ATOM 1132 OG SER A 78 -1.563 -7.723 0.061 1.00 0.73 O ATOM 0 H SER A 78 -0.226 -8.880 -3.418 1.00 0.20 H new ATOM 0 HA SER A 78 0.605 -7.311 -1.099 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.586 -9.358 -1.186 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.481 -9.468 0.171 1.00 0.20 H new ATOM 0 HG SER A 78 -1.282 -7.672 0.998 1.00 0.73 H new ATOM 1138 N VAL A 79 2.227 -8.985 -0.375 1.00 0.18 N ATOM 1139 CA VAL A 79 3.438 -9.728 -0.126 1.00 0.20 C ATOM 1140 C VAL A 79 3.158 -11.214 0.117 1.00 0.27 C ATOM 1141 O VAL A 79 2.618 -11.600 1.156 1.00 0.33 O ATOM 1142 CB VAL A 79 4.174 -9.098 1.071 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.300 -9.983 1.579 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.690 -7.715 0.684 1.00 0.25 C ATOM 0 H VAL A 79 2.052 -8.251 0.312 1.00 0.18 H new ATOM 0 HA VAL A 79 4.070 -9.675 -1.012 1.00 0.20 H new ATOM 0 HB VAL A 79 3.465 -8.997 1.893 1.00 0.23 H new ATOM 0 HG11 VAL A 79 5.791 -9.499 2.423 1.00 0.31 H new ATOM 0 HG12 VAL A 79 4.893 -10.943 1.898 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.025 -10.143 0.781 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.211 -7.270 1.532 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.378 -7.805 -0.157 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.851 -7.080 0.400 1.00 0.25 H new ATOM 1154 N SER A 80 3.509 -12.034 -0.869 1.00 0.33 N ATOM 1155 CA SER A 80 3.323 -13.475 -0.785 1.00 0.41 C ATOM 1156 C SER A 80 4.441 -14.110 0.033 1.00 0.43 C ATOM 1157 O SER A 80 4.196 -14.714 1.079 1.00 0.97 O ATOM 1158 CB SER A 80 3.278 -14.070 -2.191 1.00 0.48 C ATOM 1159 OG SER A 80 4.336 -13.564 -2.992 1.00 0.96 O ATOM 0 H SER A 80 3.928 -11.718 -1.744 1.00 0.33 H new ATOM 0 HA SER A 80 2.378 -13.684 -0.284 1.00 0.41 H new ATOM 0 HB2 SER A 80 3.349 -15.156 -2.133 1.00 0.48 H new ATOM 0 HB3 SER A 80 2.321 -13.838 -2.658 1.00 0.48 H new ATOM 0 HG SER A 80 4.287 -13.961 -3.887 1.00 0.96 H new ATOM 1165 N GLY A 81 5.662 -13.969 -0.456 1.00 0.56 N ATOM 1166 CA GLY A 81 6.820 -14.397 0.295 1.00 0.58 C ATOM 1167 C GLY A 81 7.525 -13.209 0.890 1.00 0.56 C ATOM 1168 O GLY A 81 7.145 -12.079 0.606 1.00 0.86 O ATOM 0 H GLY A 81 5.872 -13.562 -1.367 1.00 0.56 H new ATOM 0 HA2 GLY A 81 6.516 -15.082 1.087 1.00 0.58 H new ATOM 0 HA3 GLY A 81 7.502 -14.945 -0.356 1.00 0.58 H new ATOM 1172 N PRO A 82 8.549 -13.432 1.715 1.00 0.46 N ATOM 1173 CA PRO A 82 9.324 -12.359 2.342 1.00 0.41 C ATOM 1174 C PRO A 82 9.734 -11.261 1.361 1.00 0.41 C ATOM 1175 O PRO A 82 10.458 -11.509 0.395 1.00 0.57 O ATOM 1176 CB PRO A 82 10.558 -13.075 2.880 1.00 0.48 C ATOM 1177 CG PRO A 82 10.504 -14.453 2.298 1.00 0.61 C ATOM 1178 CD PRO A 82 9.056 -14.747 2.098 1.00 0.70 C ATOM 0 HA PRO A 82 8.740 -11.844 3.105 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.472 -12.559 2.584 1.00 0.48 H new ATOM 0 HB3 PRO A 82 10.549 -13.108 3.969 1.00 0.48 H new ATOM 0 HG2 PRO A 82 11.048 -14.502 1.355 1.00 0.61 H new ATOM 0 HG3 PRO A 82 10.963 -15.180 2.968 1.00 0.61 H new ATOM 0 HD2 PRO A 82 8.891 -15.494 1.321 1.00 0.70 H new ATOM 0 HD3 PRO A 82 8.583 -15.122 3.006 1.00 0.70 H new ATOM 1186 N SER A 83 9.273 -10.051 1.632 1.00 0.36 N ATOM 1187 CA SER A 83 9.567 -8.906 0.789 1.00 0.37 C ATOM 1188 C SER A 83 10.962 -8.380 1.091 1.00 0.35 C ATOM 1189 O SER A 83 11.322 -8.168 2.251 1.00 0.45 O ATOM 1190 CB SER A 83 8.529 -7.807 1.023 1.00 0.44 C ATOM 1191 OG SER A 83 8.783 -6.676 0.208 1.00 1.45 O ATOM 0 H SER A 83 8.687 -9.836 2.439 1.00 0.36 H new ATOM 0 HA SER A 83 9.527 -9.215 -0.256 1.00 0.37 H new ATOM 0 HB2 SER A 83 7.532 -8.194 0.811 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.539 -7.511 2.072 1.00 0.44 H new ATOM 0 HG SER A 83 8.175 -5.949 0.458 1.00 1.45 H new ATOM 1197 N THR A 84 11.744 -8.166 0.050 1.00 0.33 N ATOM 1198 CA THR A 84 13.087 -7.659 0.217 1.00 0.34 C ATOM 1199 C THR A 84 13.151 -6.204 -0.209 1.00 0.23 C ATOM 1200 O THR A 84 13.573 -5.341 0.563 1.00 0.21 O ATOM 1201 CB THR A 84 14.100 -8.463 -0.601 1.00 0.46 C ATOM 1202 OG1 THR A 84 13.735 -9.851 -0.602 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.492 -8.307 -0.007 1.00 0.67 C ATOM 0 H THR A 84 11.470 -8.336 -0.918 1.00 0.33 H new ATOM 0 HA THR A 84 13.342 -7.753 1.273 1.00 0.34 H new ATOM 0 HB THR A 84 14.102 -8.087 -1.624 1.00 0.46 H new ATOM 0 HG1 THR A 84 14.386 -10.360 -1.129 1.00 0.91 H new ATOM 0 HG21 THR A 84 16.206 -8.883 -0.596 1.00 0.67 H new ATOM 0 HG22 THR A 84 15.777 -7.255 -0.019 1.00 0.67 H new ATOM 0 HG23 THR A 84 15.492 -8.671 1.020 1.00 0.67 H new ATOM 1211 N SER A 85 12.698 -5.927 -1.427 1.00 0.21 N ATOM 1212 CA SER A 85 12.692 -4.570 -1.944 1.00 0.25 C ATOM 1213 C SER A 85 11.545 -3.789 -1.311 1.00 0.29 C ATOM 1214 O SER A 85 10.472 -3.652 -1.900 1.00 0.61 O ATOM 1215 CB SER A 85 12.534 -4.585 -3.468 1.00 0.50 C ATOM 1216 OG SER A 85 13.408 -5.529 -4.069 1.00 1.76 O ATOM 0 H SER A 85 12.331 -6.627 -2.072 1.00 0.21 H new ATOM 0 HA SER A 85 13.638 -4.089 -1.695 1.00 0.25 H new ATOM 0 HB2 SER A 85 11.503 -4.825 -3.726 1.00 0.50 H new ATOM 0 HB3 SER A 85 12.739 -3.591 -3.867 1.00 0.50 H new ATOM 0 HG SER A 85 12.907 -6.340 -4.296 1.00 1.76 H new ATOM 1222 N HIS A 86 11.774 -3.266 -0.118 1.00 0.19 N ATOM 1223 CA HIS A 86 10.711 -2.625 0.628 1.00 0.20 C ATOM 1224 C HIS A 86 11.262 -1.645 1.658 1.00 0.20 C ATOM 1225 O HIS A 86 12.415 -1.745 2.073 1.00 0.25 O ATOM 1226 CB HIS A 86 9.848 -3.682 1.326 1.00 0.26 C ATOM 1227 CG HIS A 86 10.483 -4.295 2.544 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.601 -5.096 2.496 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.165 -4.184 3.856 1.00 0.50 C ATOM 1230 CE1 HIS A 86 11.940 -5.450 3.721 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.088 -4.908 4.571 1.00 0.44 N ATOM 0 H HIS A 86 12.680 -3.274 0.350 1.00 0.19 H new ATOM 0 HA HIS A 86 10.100 -2.063 -0.079 1.00 0.20 H new ATOM 0 HB2 HIS A 86 8.900 -3.227 1.615 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.617 -4.474 0.613 1.00 0.26 H new ATOM 0 HD1 HIS A 86 12.091 -5.373 1.646 1.00 0.29 H new ATOM 0 HD2 HIS A 86 9.336 -3.627 4.266 1.00 0.50 H new ATOM 0 HE1 HIS A 86 12.777 -6.080 3.985 1.00 0.30 H new ATOM 1240 N LEU A 87 10.413 -0.717 2.072 1.00 0.19 N ATOM 1241 CA LEU A 87 10.758 0.251 3.103 1.00 0.19 C ATOM 1242 C LEU A 87 9.659 0.316 4.148 1.00 0.18 C ATOM 1243 O LEU A 87 8.528 0.681 3.835 1.00 0.18 O ATOM 1244 CB LEU A 87 10.950 1.643 2.499 1.00 0.21 C ATOM 1245 CG LEU A 87 12.148 1.791 1.565 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.697 1.738 0.116 1.00 0.38 C ATOM 1247 CD2 LEU A 87 12.898 3.079 1.861 1.00 0.58 C ATOM 0 H LEU A 87 9.467 -0.613 1.704 1.00 0.19 H new ATOM 0 HA LEU A 87 11.691 -0.071 3.566 1.00 0.19 H new ATOM 0 HB2 LEU A 87 10.047 1.910 1.950 1.00 0.21 H new ATOM 0 HB3 LEU A 87 11.053 2.362 3.312 1.00 0.21 H new ATOM 0 HG LEU A 87 12.832 0.959 1.736 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.562 1.845 -0.538 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.210 0.782 -0.079 1.00 0.38 H new ATOM 0 HD13 LEU A 87 10.994 2.549 -0.076 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.749 3.168 1.186 1.00 0.58 H new ATOM 0 HD22 LEU A 87 12.231 3.929 1.718 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.253 3.065 2.892 1.00 0.58 H new ATOM 1259 N THR A 88 9.974 -0.038 5.381 1.00 0.17 N ATOM 1260 CA THR A 88 8.998 0.057 6.453 1.00 0.15 C ATOM 1261 C THR A 88 8.863 1.492 6.913 1.00 0.18 C ATOM 1262 O THR A 88 9.594 1.950 7.793 1.00 0.22 O ATOM 1263 CB THR A 88 9.364 -0.829 7.658 1.00 0.17 C ATOM 1264 OG1 THR A 88 9.725 -2.141 7.207 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.201 -0.935 8.632 1.00 0.18 C ATOM 0 H THR A 88 10.888 -0.391 5.664 1.00 0.17 H new ATOM 0 HA THR A 88 8.050 -0.299 6.050 1.00 0.15 H new ATOM 0 HB THR A 88 10.208 -0.369 8.171 1.00 0.17 H new ATOM 0 HG1 THR A 88 9.958 -2.699 7.978 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.487 -1.566 9.473 1.00 0.18 H new ATOM 0 HG22 THR A 88 7.940 0.059 8.996 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.341 -1.373 8.126 1.00 0.18 H new ATOM 1273 N ARG A 89 7.939 2.211 6.303 1.00 0.19 N ATOM 1274 CA ARG A 89 7.591 3.532 6.782 1.00 0.25 C ATOM 1275 C ARG A 89 6.107 3.553 7.127 1.00 0.20 C ATOM 1276 O ARG A 89 5.335 4.286 6.520 1.00 0.24 O ATOM 1277 CB ARG A 89 7.872 4.562 5.688 1.00 0.38 C ATOM 1278 CG ARG A 89 9.205 4.380 4.986 1.00 0.33 C ATOM 1279 CD ARG A 89 10.344 5.047 5.735 1.00 1.12 C ATOM 1280 NE ARG A 89 11.550 5.149 4.911 1.00 1.99 N ATOM 1281 CZ ARG A 89 12.770 5.380 5.393 1.00 2.70 C ATOM 1282 NH1 ARG A 89 12.968 5.463 6.702 1.00 2.77 N ATOM 1283 NH2 ARG A 89 13.797 5.520 4.561 1.00 3.65 N ATOM 0 H ARG A 89 7.420 1.904 5.480 1.00 0.19 H new ATOM 0 HA ARG A 89 8.183 3.774 7.665 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.075 4.514 4.946 1.00 0.38 H new ATOM 0 HB3 ARG A 89 7.839 5.559 6.127 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.416 3.316 4.881 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.143 4.794 3.979 1.00 0.33 H new ATOM 0 HD2 ARG A 89 10.036 6.043 6.053 1.00 1.12 H new ATOM 0 HD3 ARG A 89 10.568 4.479 6.638 1.00 1.12 H new ATOM 0 HE ARG A 89 11.449 5.036 3.902 1.00 1.99 H new ATOM 0 HH11 ARG A 89 12.184 5.350 7.345 1.00 2.77 H new ATOM 0 HH12 ARG A 89 13.904 5.640 7.066 1.00 2.77 H new ATOM 0 HH21 ARG A 89 13.651 5.451 3.554 1.00 3.65 H new ATOM 0 HH22 ARG A 89 14.731 5.697 4.930 1.00 3.65 H new ATOM 1297 N PRO A 90 5.699 2.810 8.162 1.00 0.15 N ATOM 1298 CA PRO A 90 4.293 2.694 8.516 1.00 0.14 C ATOM 1299 C PRO A 90 3.781 3.965 9.165 1.00 0.16 C ATOM 1300 O PRO A 90 2.605 4.305 9.056 1.00 0.25 O ATOM 1301 CB PRO A 90 4.242 1.494 9.473 1.00 0.13 C ATOM 1302 CG PRO A 90 5.612 0.903 9.482 1.00 0.14 C ATOM 1303 CD PRO A 90 6.547 1.973 9.016 1.00 0.15 C ATOM 0 HA PRO A 90 3.652 2.547 7.647 1.00 0.14 H new ATOM 0 HB2 PRO A 90 3.948 1.808 10.474 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.506 0.763 9.140 1.00 0.13 H new ATOM 0 HG2 PRO A 90 5.880 0.564 10.483 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.662 0.033 8.827 1.00 0.14 H new ATOM 0 HD2 PRO A 90 6.960 2.539 9.851 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.390 1.558 8.464 1.00 0.15 H new ATOM 1311 N SER A 91 4.692 4.673 9.810 1.00 0.16 N ATOM 1312 CA SER A 91 4.396 5.967 10.395 1.00 0.18 C ATOM 1313 C SER A 91 4.090 6.984 9.301 1.00 0.21 C ATOM 1314 O SER A 91 3.224 7.841 9.450 1.00 0.33 O ATOM 1315 CB SER A 91 5.610 6.427 11.197 1.00 0.27 C ATOM 1316 OG SER A 91 6.236 5.319 11.824 1.00 1.21 O ATOM 0 H SER A 91 5.656 4.367 9.942 1.00 0.16 H new ATOM 0 HA SER A 91 3.524 5.884 11.044 1.00 0.18 H new ATOM 0 HB2 SER A 91 6.319 6.930 10.539 1.00 0.27 H new ATOM 0 HB3 SER A 91 5.303 7.153 11.949 1.00 0.27 H new ATOM 0 HG SER A 91 7.014 5.628 12.334 1.00 1.21 H new ATOM 1322 N GLU A 92 4.795 6.848 8.184 1.00 0.17 N ATOM 1323 CA GLU A 92 4.726 7.814 7.100 1.00 0.20 C ATOM 1324 C GLU A 92 3.575 7.516 6.144 1.00 0.21 C ATOM 1325 O GLU A 92 2.905 8.433 5.681 1.00 0.33 O ATOM 1326 CB GLU A 92 6.061 7.844 6.362 1.00 0.30 C ATOM 1327 CG GLU A 92 6.933 9.031 6.741 1.00 0.99 C ATOM 1328 CD GLU A 92 6.333 10.356 6.315 1.00 1.98 C ATOM 1329 OE1 GLU A 92 5.577 10.954 7.102 1.00 2.37 O ATOM 1330 OE2 GLU A 92 6.624 10.810 5.186 1.00 2.78 O ATOM 0 H GLU A 92 5.427 6.068 8.007 1.00 0.17 H new ATOM 0 HA GLU A 92 4.529 8.797 7.527 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.604 6.922 6.571 1.00 0.30 H new ATOM 0 HB3 GLU A 92 5.874 7.868 5.288 1.00 0.30 H new ATOM 0 HG2 GLU A 92 7.085 9.036 7.820 1.00 0.99 H new ATOM 0 HG3 GLU A 92 7.915 8.917 6.282 1.00 0.99 H new ATOM 1337 N LEU A 93 3.339 6.246 5.848 1.00 0.17 N ATOM 1338 CA LEU A 93 2.197 5.875 5.015 1.00 0.18 C ATOM 1339 C LEU A 93 0.892 6.271 5.701 1.00 0.17 C ATOM 1340 O LEU A 93 0.052 6.955 5.125 1.00 0.19 O ATOM 1341 CB LEU A 93 2.178 4.374 4.721 1.00 0.19 C ATOM 1342 CG LEU A 93 2.985 3.892 3.506 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.641 4.707 2.277 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.480 3.944 3.762 1.00 0.33 C ATOM 0 H LEU A 93 3.911 5.463 6.165 1.00 0.17 H new ATOM 0 HA LEU A 93 2.295 6.410 4.070 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.548 3.851 5.603 1.00 0.19 H new ATOM 0 HB3 LEU A 93 1.141 4.069 4.582 1.00 0.19 H new ATOM 0 HG LEU A 93 2.712 2.851 3.332 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.224 4.349 1.428 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.578 4.603 2.057 1.00 0.15 H new ATOM 0 HD13 LEU A 93 2.873 5.756 2.460 1.00 0.15 H new ATOM 0 HD21 LEU A 93 5.013 3.595 2.878 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.776 4.970 3.983 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.726 3.305 4.610 1.00 0.33 H new ATOM 1356 N GLN A 94 0.753 5.890 6.960 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.477 6.140 7.705 1.00 0.18 C ATOM 1358 C GLN A 94 -0.606 7.640 7.943 1.00 0.18 C ATOM 1359 O GLN A 94 -1.680 8.149 8.267 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.437 5.377 9.029 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.787 5.158 9.709 1.00 0.36 C ATOM 1362 CD GLN A 94 -2.757 4.292 8.924 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -2.705 3.066 9.007 1.00 1.81 O ATOM 1364 NE2 GLN A 94 -3.702 4.905 8.223 1.00 0.34 N ATOM 0 H GLN A 94 1.476 5.405 7.491 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.343 5.794 7.140 1.00 0.18 H new ATOM 0 HB2 GLN A 94 0.022 4.404 8.853 1.00 0.17 H new ATOM 0 HB3 GLN A 94 0.213 5.916 9.718 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.618 4.700 10.684 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -2.250 6.128 9.889 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -3.720 5.924 8.172 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -4.411 4.358 7.735 1.00 0.34 H new ATOM 1373 N ALA A 95 0.509 8.336 7.747 1.00 0.18 N ATOM 1374 CA ALA A 95 0.564 9.780 7.876 1.00 0.19 C ATOM 1375 C ALA A 95 -0.125 10.458 6.711 1.00 0.15 C ATOM 1376 O ALA A 95 -0.943 11.338 6.909 1.00 0.18 O ATOM 1377 CB ALA A 95 1.994 10.250 7.937 1.00 0.21 C ATOM 0 H ALA A 95 1.400 7.909 7.494 1.00 0.18 H new ATOM 0 HA ALA A 95 0.049 10.046 8.799 1.00 0.19 H new ATOM 0 HB1 ALA A 95 2.016 11.335 8.034 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.489 9.799 8.797 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.513 9.956 7.024 1.00 0.21 H new ATOM 1383 N VAL A 96 0.221 10.050 5.494 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.402 10.606 4.306 1.00 0.12 C ATOM 1385 C VAL A 96 -1.827 10.114 4.228 1.00 0.11 C ATOM 1386 O VAL A 96 -2.683 10.775 3.685 1.00 0.11 O ATOM 1387 CB VAL A 96 0.371 10.296 2.990 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.467 9.277 3.208 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.566 9.809 1.903 1.00 0.16 C ATOM 0 H VAL A 96 0.928 9.338 5.309 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.380 11.692 4.400 1.00 0.12 H new ATOM 0 HB VAL A 96 0.829 11.232 2.670 1.00 0.14 H new ATOM 0 HG11 VAL A 96 1.982 9.089 2.266 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.178 9.659 3.940 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.032 8.348 3.575 1.00 0.19 H new ATOM 0 HG21 VAL A 96 0.004 9.601 0.997 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -1.065 8.899 2.234 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.311 10.576 1.694 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.087 8.956 4.792 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.452 8.545 4.990 1.00 0.11 C ATOM 1401 C ILE A 97 -4.158 9.597 5.822 1.00 0.12 C ATOM 1402 O ILE A 97 -5.090 10.229 5.361 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.520 7.181 5.674 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.209 6.092 4.662 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.881 6.963 6.299 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.568 4.882 5.281 1.00 0.16 C ATOM 0 H ILE A 97 -1.382 8.294 5.116 1.00 0.11 H new ATOM 0 HA ILE A 97 -3.945 8.447 4.023 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.779 7.145 6.473 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.131 5.793 4.163 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.548 6.495 3.895 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -4.908 5.986 6.781 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.069 7.739 7.041 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.648 7.007 5.526 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.370 4.140 4.508 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.630 5.170 5.756 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.238 4.458 6.029 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.655 9.810 7.026 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.190 10.824 7.933 1.00 0.17 C ATOM 1420 C ASP A 98 -4.233 12.208 7.273 1.00 0.17 C ATOM 1421 O ASP A 98 -5.223 12.932 7.382 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.317 10.881 9.187 1.00 0.21 C ATOM 1423 CG ASP A 98 -3.783 11.919 10.184 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -4.755 11.647 10.920 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -3.164 13.002 10.246 1.00 0.98 O ATOM 0 H ASP A 98 -2.865 9.288 7.407 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.212 10.547 8.192 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.313 9.902 9.665 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.289 11.099 8.898 1.00 0.21 H new ATOM 1430 N SER A 99 -3.159 12.547 6.574 1.00 0.15 N ATOM 1431 CA SER A 99 -2.986 13.866 5.980 1.00 0.16 C ATOM 1432 C SER A 99 -3.783 13.999 4.688 1.00 0.16 C ATOM 1433 O SER A 99 -4.671 14.845 4.579 1.00 0.20 O ATOM 1434 CB SER A 99 -1.495 14.115 5.734 1.00 0.18 C ATOM 1435 OG SER A 99 -1.269 15.241 4.902 1.00 0.70 O ATOM 0 H SER A 99 -2.379 11.912 6.402 1.00 0.15 H new ATOM 0 HA SER A 99 -3.367 14.619 6.670 1.00 0.16 H new ATOM 0 HB2 SER A 99 -0.991 14.264 6.689 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.052 13.231 5.275 1.00 0.18 H new ATOM 0 HG SER A 99 -0.305 15.364 4.773 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.483 13.143 3.720 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.168 13.174 2.433 1.00 0.16 C ATOM 1443 C ASP A 100 -5.626 12.745 2.551 1.00 0.16 C ATOM 1444 O ASP A 100 -6.362 12.842 1.595 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.449 12.345 1.370 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.414 13.145 0.608 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -1.267 13.265 1.092 1.00 0.57 O ATOM 1448 OD2 ASP A 100 -2.741 13.657 -0.487 1.00 0.72 O ATOM 0 H ASP A 100 -2.770 12.418 3.801 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.148 14.214 2.108 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -2.965 11.492 1.846 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.182 11.945 0.669 1.00 0.17 H new ATOM 1453 N LYS A 101 -6.044 12.241 3.703 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.470 12.038 3.965 1.00 0.16 C ATOM 1455 C LYS A 101 -8.235 13.349 3.772 1.00 0.20 C ATOM 1456 O LYS A 101 -9.418 13.359 3.437 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.665 11.569 5.392 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.194 10.159 5.531 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.581 9.475 6.725 1.00 0.17 C ATOM 1460 CE LYS A 101 -7.994 10.154 8.011 1.00 0.26 C ATOM 1461 NZ LYS A 101 -9.463 10.103 8.241 1.00 1.26 N ATOM 0 H LYS A 101 -5.427 11.966 4.467 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.847 11.289 3.269 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.711 11.637 5.915 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.353 12.251 5.893 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.279 10.181 5.636 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -7.972 9.591 4.627 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.888 8.429 6.747 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.495 9.486 6.637 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -7.483 9.679 8.848 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -7.670 11.194 7.988 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -9.669 10.363 9.227 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -9.938 10.770 7.600 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -9.810 9.140 8.057 1.00 1.26 H new ATOM 1475 N SER A 102 -7.549 14.460 4.000 1.00 0.23 N ATOM 1476 CA SER A 102 -8.115 15.777 3.750 1.00 0.28 C ATOM 1477 C SER A 102 -8.198 16.019 2.244 1.00 0.30 C ATOM 1478 O SER A 102 -8.869 16.934 1.771 1.00 0.38 O ATOM 1479 CB SER A 102 -7.243 16.839 4.419 1.00 0.36 C ATOM 1480 OG SER A 102 -6.941 16.470 5.756 1.00 1.23 O ATOM 0 H SER A 102 -6.595 14.475 4.360 1.00 0.23 H new ATOM 0 HA SER A 102 -9.120 15.835 4.168 1.00 0.28 H new ATOM 0 HB2 SER A 102 -6.320 16.967 3.854 1.00 0.36 H new ATOM 0 HB3 SER A 102 -7.759 17.799 4.409 1.00 0.36 H new ATOM 0 HG SER A 102 -6.146 15.897 5.766 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.510 15.164 1.506 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.481 15.210 0.055 1.00 0.29 C ATOM 1488 C ASN A 103 -8.422 14.145 -0.515 1.00 0.28 C ATOM 1489 O ASN A 103 -8.922 14.269 -1.635 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.038 15.006 -0.430 1.00 0.33 C ATOM 1491 CG ASN A 103 -5.864 15.312 -1.904 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -6.660 16.042 -2.498 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -4.796 14.804 -2.488 1.00 0.93 N ATOM 0 H ASN A 103 -6.950 14.410 1.903 1.00 0.27 H new ATOM 0 HA ASN A 103 -7.826 16.182 -0.297 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.371 15.644 0.150 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -5.738 13.975 -0.240 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -4.604 15.011 -3.468 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -4.163 14.204 -1.960 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.664 13.101 0.281 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.634 12.062 -0.038 1.00 0.22 C ATOM 1502 C TYR A 104 -10.071 11.407 1.251 1.00 0.21 C ATOM 1503 O TYR A 104 -9.247 10.882 1.983 1.00 0.20 O ATOM 1504 CB TYR A 104 -9.058 10.943 -0.925 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.719 11.241 -1.542 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.590 11.333 -0.751 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.585 11.422 -2.907 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.359 11.606 -1.300 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.359 11.692 -3.469 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.244 11.784 -2.660 1.00 0.22 C ATOM 1511 OH TYR A 104 -4.013 12.059 -3.208 1.00 0.30 O ATOM 0 H TYR A 104 -8.187 12.956 1.171 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.448 12.547 -0.576 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.971 10.036 -0.327 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.769 10.732 -1.723 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.676 11.188 0.316 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.456 11.350 -3.541 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.487 11.680 -0.667 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.269 11.831 -4.536 1.00 0.27 H new ATOM 0 HH TYR A 104 -4.118 12.266 -4.160 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.339 11.501 1.548 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.957 10.691 2.582 1.00 0.31 C ATOM 1523 C CYS A 105 -13.468 10.740 2.453 1.00 0.45 C ATOM 1524 O CYS A 105 -14.062 11.818 2.448 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.518 11.156 3.969 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.530 10.522 5.331 1.00 0.38 S ATOM 0 H CYS A 105 -11.981 12.142 1.082 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.631 9.659 2.454 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.484 10.851 4.130 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.537 12.246 3.996 1.00 0.27 H new ATOM 0 HG CYS A 105 -13.447 9.731 4.859 1.00 0.38 H new ATOM 1532 N THR A 106 -14.087 9.587 2.340 1.00 0.65 N ATOM 1533 CA THR A 106 -15.530 9.508 2.361 1.00 0.77 C ATOM 1534 C THR A 106 -16.003 9.042 3.727 1.00 0.88 C ATOM 1535 O THR A 106 -15.211 8.548 4.533 1.00 1.26 O ATOM 1536 CB THR A 106 -16.080 8.560 1.277 1.00 1.41 C ATOM 1537 OG1 THR A 106 -15.553 7.238 1.453 1.00 1.84 O ATOM 1538 CG2 THR A 106 -15.737 9.081 -0.104 1.00 2.07 C ATOM 0 H THR A 106 -13.613 8.690 2.232 1.00 0.65 H new ATOM 0 HA THR A 106 -15.911 10.508 2.152 1.00 0.77 H new ATOM 0 HB THR A 106 -17.165 8.518 1.374 1.00 1.41 H new ATOM 0 HG1 THR A 106 -14.587 7.289 1.610 1.00 1.84 H new ATOM 0 HG21 THR A 106 -16.132 8.400 -0.858 1.00 2.07 H new ATOM 0 HG22 THR A 106 -16.177 10.069 -0.240 1.00 2.07 H new ATOM 0 HG23 THR A 106 -14.654 9.149 -0.209 1.00 2.07 H new ATOM 1546 N ASP A 107 -17.284 9.230 4.000 1.00 1.33 N ATOM 1547 CA ASP A 107 -17.888 8.751 5.238 1.00 2.02 C ATOM 1548 C ASP A 107 -18.132 7.248 5.155 1.00 2.55 C ATOM 1549 O ASP A 107 -19.241 6.777 5.411 1.00 3.11 O ATOM 1550 CB ASP A 107 -19.209 9.473 5.519 1.00 2.51 C ATOM 1551 CG ASP A 107 -19.035 10.957 5.760 1.00 3.00 C ATOM 1552 OD1 ASP A 107 -19.072 11.727 4.779 1.00 3.25 O ATOM 1553 OD2 ASP A 107 -18.869 11.361 6.932 1.00 3.55 O ATOM 0 H ASP A 107 -17.931 9.714 3.378 1.00 1.33 H new ATOM 0 HA ASP A 107 -17.198 8.962 6.055 1.00 2.02 H new ATOM 0 HB2 ASP A 107 -19.884 9.325 4.676 1.00 2.51 H new ATOM 0 HB3 ASP A 107 -19.684 9.023 6.391 1.00 2.51 H new ATOM 1558 N LYS A 108 -17.085 6.518 4.782 1.00 2.65 N ATOM 1559 CA LYS A 108 -17.130 5.071 4.612 1.00 3.12 C ATOM 1560 C LYS A 108 -18.249 4.669 3.651 1.00 2.75 C ATOM 1561 O LYS A 108 -19.279 4.136 4.065 1.00 3.29 O ATOM 1562 CB LYS A 108 -17.291 4.370 5.962 1.00 3.97 C ATOM 1563 CG LYS A 108 -16.585 3.014 6.056 1.00 4.61 C ATOM 1564 CD LYS A 108 -17.231 1.950 5.175 1.00 4.66 C ATOM 1565 CE LYS A 108 -18.469 1.343 5.822 1.00 5.49 C ATOM 1566 NZ LYS A 108 -18.219 -0.044 6.307 1.00 6.29 N ATOM 0 H LYS A 108 -16.169 6.922 4.587 1.00 2.65 H new ATOM 0 HA LYS A 108 -16.183 4.752 4.177 1.00 3.12 H new ATOM 0 HB2 LYS A 108 -16.905 5.022 6.745 1.00 3.97 H new ATOM 0 HB3 LYS A 108 -18.353 4.228 6.160 1.00 3.97 H new ATOM 0 HG2 LYS A 108 -15.540 3.133 5.768 1.00 4.61 H new ATOM 0 HG3 LYS A 108 -16.594 2.676 7.092 1.00 4.61 H new ATOM 0 HD2 LYS A 108 -17.503 2.391 4.216 1.00 4.66 H new ATOM 0 HD3 LYS A 108 -16.507 1.162 4.970 1.00 4.66 H new ATOM 0 HE2 LYS A 108 -18.786 1.968 6.657 1.00 5.49 H new ATOM 0 HE3 LYS A 108 -19.287 1.334 5.102 1.00 5.49 H new ATOM 0 HZ1 LYS A 108 -19.113 -0.464 6.632 1.00 6.29 H new ATOM 0 HZ2 LYS A 108 -17.828 -0.617 5.532 1.00 6.29 H new ATOM 0 HZ3 LYS A 108 -17.541 -0.019 7.095 1.00 6.29 H new ATOM 1580 N SER A 109 -18.038 4.916 2.363 1.00 2.37 N ATOM 1581 CA SER A 109 -18.984 4.491 1.333 1.00 2.48 C ATOM 1582 C SER A 109 -18.809 3.004 1.033 1.00 2.68 C ATOM 1583 O SER A 109 -18.986 2.558 -0.103 1.00 3.04 O ATOM 1584 CB SER A 109 -18.779 5.321 0.066 1.00 2.90 C ATOM 1585 OG SER A 109 -17.401 5.431 -0.254 1.00 3.18 O ATOM 0 H SER A 109 -17.220 5.409 2.005 1.00 2.37 H new ATOM 0 HA SER A 109 -19.999 4.650 1.696 1.00 2.48 H new ATOM 0 HB2 SER A 109 -19.313 4.860 -0.765 1.00 2.90 H new ATOM 0 HB3 SER A 109 -19.204 6.315 0.206 1.00 2.90 H new ATOM 0 HG SER A 109 -16.996 6.143 0.284 1.00 3.18 H new ATOM 1591 N GLU A 110 -18.489 2.262 2.086 1.00 3.00 N ATOM 1592 CA GLU A 110 -18.114 0.856 2.016 1.00 3.71 C ATOM 1593 C GLU A 110 -16.872 0.673 1.155 1.00 3.37 C ATOM 1594 O GLU A 110 -16.918 0.776 -0.070 1.00 3.90 O ATOM 1595 CB GLU A 110 -19.262 -0.023 1.525 1.00 4.52 C ATOM 1596 CG GLU A 110 -19.146 -1.453 2.024 1.00 5.42 C ATOM 1597 CD GLU A 110 -18.950 -1.505 3.528 1.00 6.14 C ATOM 1598 OE1 GLU A 110 -17.788 -1.413 3.991 1.00 6.73 O ATOM 1599 OE2 GLU A 110 -19.952 -1.600 4.263 1.00 6.37 O ATOM 0 H GLU A 110 -18.483 2.632 3.037 1.00 3.00 H new ATOM 0 HA GLU A 110 -17.880 0.531 3.030 1.00 3.71 H new ATOM 0 HB2 GLU A 110 -20.209 0.400 1.859 1.00 4.52 H new ATOM 0 HB3 GLU A 110 -19.278 -0.021 0.435 1.00 4.52 H new ATOM 0 HG2 GLU A 110 -20.045 -2.007 1.754 1.00 5.42 H new ATOM 0 HG3 GLU A 110 -18.308 -1.945 1.530 1.00 5.42 H new ATOM 1606 N GLN A 111 -15.762 0.401 1.823 1.00 2.83 N ATOM 1607 CA GLN A 111 -14.464 0.327 1.174 1.00 2.47 C ATOM 1608 C GLN A 111 -14.425 -0.795 0.140 1.00 2.76 C ATOM 1609 O GLN A 111 -15.202 -1.752 0.223 1.00 3.22 O ATOM 1610 CB GLN A 111 -13.369 0.130 2.224 1.00 2.10 C ATOM 1611 CG GLN A 111 -13.488 -1.178 2.988 1.00 2.39 C ATOM 1612 CD GLN A 111 -12.411 -1.342 4.037 1.00 2.89 C ATOM 1613 OE1 GLN A 111 -11.931 -0.367 4.617 1.00 3.45 O ATOM 1614 NE2 GLN A 111 -12.028 -2.580 4.286 1.00 3.22 N ATOM 0 H GLN A 111 -15.736 0.226 2.828 1.00 2.83 H new ATOM 0 HA GLN A 111 -14.289 1.266 0.648 1.00 2.47 H new ATOM 0 HB2 GLN A 111 -12.396 0.168 1.734 1.00 2.10 H new ATOM 0 HB3 GLN A 111 -13.402 0.959 2.931 1.00 2.10 H new ATOM 0 HG2 GLN A 111 -14.466 -1.227 3.467 1.00 2.39 H new ATOM 0 HG3 GLN A 111 -13.435 -2.010 2.286 1.00 2.39 H new ATOM 0 HE21 GLN A 111 -12.454 -3.357 3.781 1.00 3.22 H new ATOM 0 HE22 GLN A 111 -11.306 -2.760 4.984 1.00 3.22 H new ATOM 1623 N GLN A 112 -13.516 -0.656 -0.823 1.00 2.69 N ATOM 1624 CA GLN A 112 -13.388 -1.588 -1.944 1.00 3.13 C ATOM 1625 C GLN A 112 -14.594 -1.446 -2.873 1.00 3.34 C ATOM 1626 O GLN A 112 -15.495 -2.290 -2.887 1.00 3.79 O ATOM 1627 CB GLN A 112 -13.244 -3.039 -1.456 1.00 3.88 C ATOM 1628 CG GLN A 112 -12.934 -4.034 -2.565 1.00 4.55 C ATOM 1629 CD GLN A 112 -12.983 -5.477 -2.090 1.00 5.47 C ATOM 1630 OE1 GLN A 112 -12.253 -6.335 -2.586 1.00 5.86 O ATOM 1631 NE2 GLN A 112 -13.858 -5.759 -1.136 1.00 6.11 N ATOM 0 H GLN A 112 -12.843 0.110 -0.849 1.00 2.69 H new ATOM 0 HA GLN A 112 -12.481 -1.340 -2.495 1.00 3.13 H new ATOM 0 HB2 GLN A 112 -12.452 -3.084 -0.709 1.00 3.88 H new ATOM 0 HB3 GLN A 112 -14.167 -3.339 -0.960 1.00 3.88 H new ATOM 0 HG2 GLN A 112 -13.647 -3.899 -3.378 1.00 4.55 H new ATOM 0 HG3 GLN A 112 -11.945 -3.823 -2.971 1.00 4.55 H new ATOM 0 HE21 GLN A 112 -14.446 -5.021 -0.749 1.00 6.11 H new ATOM 0 HE22 GLN A 112 -13.943 -6.714 -0.788 1.00 6.11 H new ATOM 1640 N PRO A 113 -14.624 -0.354 -3.655 1.00 3.54 N ATOM 1641 CA PRO A 113 -15.733 -0.059 -4.560 1.00 4.20 C ATOM 1642 C PRO A 113 -15.739 -0.970 -5.787 1.00 4.95 C ATOM 1643 O PRO A 113 -15.123 -0.669 -6.809 1.00 5.49 O ATOM 1644 CB PRO A 113 -15.480 1.398 -4.962 1.00 4.58 C ATOM 1645 CG PRO A 113 -14.009 1.579 -4.836 1.00 4.43 C ATOM 1646 CD PRO A 113 -13.571 0.683 -3.712 1.00 3.74 C ATOM 0 HA PRO A 113 -16.703 -0.220 -4.090 1.00 4.20 H new ATOM 0 HB2 PRO A 113 -15.816 1.591 -5.981 1.00 4.58 H new ATOM 0 HB3 PRO A 113 -16.020 2.087 -4.312 1.00 4.58 H new ATOM 0 HG2 PRO A 113 -13.503 1.314 -5.765 1.00 4.43 H new ATOM 0 HG3 PRO A 113 -13.762 2.619 -4.624 1.00 4.43 H new ATOM 0 HD2 PRO A 113 -12.591 0.247 -3.907 1.00 3.74 H new ATOM 0 HD3 PRO A 113 -13.496 1.229 -2.772 1.00 3.74 H new ATOM 1654 N SER A 114 -16.432 -2.094 -5.678 1.00 5.30 N ATOM 1655 CA SER A 114 -16.535 -3.039 -6.777 1.00 6.17 C ATOM 1656 C SER A 114 -17.866 -2.853 -7.510 1.00 6.65 C ATOM 1657 O SER A 114 -18.485 -3.824 -7.951 1.00 7.12 O ATOM 1658 CB SER A 114 -16.400 -4.472 -6.247 1.00 6.86 C ATOM 1659 OG SER A 114 -16.382 -5.417 -7.305 1.00 6.91 O ATOM 0 H SER A 114 -16.933 -2.374 -4.835 1.00 5.30 H new ATOM 0 HA SER A 114 -15.727 -2.854 -7.485 1.00 6.17 H new ATOM 0 HB2 SER A 114 -15.484 -4.560 -5.663 1.00 6.86 H new ATOM 0 HB3 SER A 114 -17.229 -4.692 -5.575 1.00 6.86 H new ATOM 0 HG SER A 114 -17.129 -5.240 -7.914 1.00 6.91 H new ATOM 1665 N GLN A 115 -18.296 -1.590 -7.618 1.00 6.87 N ATOM 1666 CA GLN A 115 -19.554 -1.225 -8.285 1.00 7.64 C ATOM 1667 C GLN A 115 -20.765 -1.688 -7.476 1.00 8.11 C ATOM 1668 O GLN A 115 -20.616 -2.374 -6.460 1.00 8.24 O ATOM 1669 CB GLN A 115 -19.617 -1.803 -9.704 1.00 7.97 C ATOM 1670 CG GLN A 115 -18.533 -1.280 -10.629 1.00 8.14 C ATOM 1671 CD GLN A 115 -18.565 -1.942 -11.992 1.00 8.56 C ATOM 1672 OE1 GLN A 115 -19.257 -1.483 -12.903 1.00 8.97 O ATOM 1673 NE2 GLN A 115 -17.809 -3.019 -12.148 1.00 8.73 N ATOM 0 H GLN A 115 -17.782 -0.791 -7.246 1.00 6.87 H new ATOM 0 HA GLN A 115 -19.580 -0.137 -8.353 1.00 7.64 H new ATOM 0 HB2 GLN A 115 -19.540 -2.889 -9.647 1.00 7.97 H new ATOM 0 HB3 GLN A 115 -20.591 -1.575 -10.136 1.00 7.97 H new ATOM 0 HG2 GLN A 115 -18.650 -0.203 -10.749 1.00 8.14 H new ATOM 0 HG3 GLN A 115 -17.558 -1.445 -10.171 1.00 8.14 H new ATOM 0 HE21 GLN A 115 -17.251 -3.367 -11.369 1.00 8.73 H new ATOM 0 HE22 GLN A 115 -17.785 -3.500 -13.047 1.00 8.73 H new ATOM 1682 N ALA A 116 -21.956 -1.279 -7.928 1.00 8.62 N ATOM 1683 CA ALA A 116 -23.234 -1.675 -7.320 1.00 9.29 C ATOM 1684 C ALA A 116 -23.450 -1.008 -5.962 1.00 9.87 C ATOM 1685 O ALA A 116 -24.372 -0.206 -5.802 1.00 10.23 O ATOM 1686 CB ALA A 116 -23.334 -3.192 -7.201 1.00 9.66 C ATOM 0 H ALA A 116 -22.062 -0.660 -8.731 1.00 8.62 H new ATOM 0 HA ALA A 116 -24.028 -1.329 -7.982 1.00 9.29 H new ATOM 0 HB1 ALA A 116 -24.289 -3.459 -6.748 1.00 9.66 H new ATOM 0 HB2 ALA A 116 -23.264 -3.640 -8.192 1.00 9.66 H new ATOM 0 HB3 ALA A 116 -22.520 -3.562 -6.577 1.00 9.66 H new ATOM 1692 N THR A 117 -22.586 -1.326 -5.008 1.00 10.17 N ATOM 1693 CA THR A 117 -22.686 -0.805 -3.647 1.00 10.96 C ATOM 1694 C THR A 117 -24.036 -1.169 -3.011 1.00 11.36 C ATOM 1695 O THR A 117 -24.898 -0.311 -2.814 1.00 11.56 O ATOM 1696 CB THR A 117 -22.493 0.728 -3.614 1.00 11.46 C ATOM 1697 OG1 THR A 117 -21.389 1.102 -4.455 1.00 11.43 O ATOM 1698 CG2 THR A 117 -22.228 1.216 -2.196 1.00 12.36 C ATOM 0 H THR A 117 -21.795 -1.953 -5.153 1.00 10.17 H new ATOM 0 HA THR A 117 -21.887 -1.269 -3.069 1.00 10.96 H new ATOM 0 HB THR A 117 -23.411 1.190 -3.979 1.00 11.46 H new ATOM 0 HG1 THR A 117 -21.274 2.075 -4.430 1.00 11.43 H new ATOM 0 HG21 THR A 117 -22.096 2.298 -2.202 1.00 12.36 H new ATOM 0 HG22 THR A 117 -23.073 0.957 -1.558 1.00 12.36 H new ATOM 0 HG23 THR A 117 -21.325 0.743 -1.811 1.00 12.36 H new ATOM 1706 N PRO A 118 -24.248 -2.459 -2.708 1.00 11.65 N ATOM 1707 CA PRO A 118 -25.465 -2.928 -2.057 1.00 12.29 C ATOM 1708 C PRO A 118 -25.397 -2.749 -0.543 1.00 12.99 C ATOM 1709 O PRO A 118 -24.402 -3.116 0.083 1.00 13.36 O ATOM 1710 CB PRO A 118 -25.522 -4.422 -2.419 1.00 12.57 C ATOM 1711 CG PRO A 118 -24.280 -4.713 -3.210 1.00 12.09 C ATOM 1712 CD PRO A 118 -23.334 -3.572 -2.970 1.00 11.60 C ATOM 0 HA PRO A 118 -26.345 -2.372 -2.381 1.00 12.29 H new ATOM 0 HB2 PRO A 118 -25.564 -5.038 -1.521 1.00 12.57 H new ATOM 0 HB3 PRO A 118 -26.415 -4.647 -3.002 1.00 12.57 H new ATOM 0 HG2 PRO A 118 -23.834 -5.657 -2.896 1.00 12.09 H new ATOM 0 HG3 PRO A 118 -24.511 -4.807 -4.271 1.00 12.09 H new ATOM 0 HD2 PRO A 118 -22.673 -3.763 -2.125 1.00 11.60 H new ATOM 0 HD3 PRO A 118 -22.699 -3.382 -3.835 1.00 11.60 H new ATOM 1720 N PRO A 119 -26.447 -2.165 0.060 1.00 13.34 N ATOM 1721 CA PRO A 119 -26.515 -1.950 1.511 1.00 14.16 C ATOM 1722 C PRO A 119 -26.385 -3.257 2.292 1.00 14.76 C ATOM 1723 O PRO A 119 -27.265 -4.120 2.232 1.00 14.77 O ATOM 1724 CB PRO A 119 -27.900 -1.326 1.728 1.00 14.43 C ATOM 1725 CG PRO A 119 -28.664 -1.615 0.481 1.00 13.70 C ATOM 1726 CD PRO A 119 -27.650 -1.666 -0.623 1.00 13.12 C ATOM 0 HA PRO A 119 -25.699 -1.320 1.866 1.00 14.16 H new ATOM 0 HB2 PRO A 119 -28.393 -1.757 2.600 1.00 14.43 H new ATOM 0 HB3 PRO A 119 -27.824 -0.253 1.903 1.00 14.43 H new ATOM 0 HG2 PRO A 119 -29.200 -2.561 0.562 1.00 13.70 H new ATOM 0 HG3 PRO A 119 -29.408 -0.842 0.292 1.00 13.70 H new ATOM 0 HD2 PRO A 119 -27.962 -2.331 -1.428 1.00 13.12 H new ATOM 0 HD3 PRO A 119 -27.485 -0.684 -1.066 1.00 13.12 H new ATOM 1734 N PRO A 120 -25.287 -3.415 3.044 1.00 15.40 N ATOM 1735 CA PRO A 120 -24.969 -4.652 3.762 1.00 16.14 C ATOM 1736 C PRO A 120 -25.732 -4.788 5.079 1.00 16.74 C ATOM 1737 O PRO A 120 -25.215 -5.340 6.051 1.00 17.26 O ATOM 1738 CB PRO A 120 -23.458 -4.538 4.032 1.00 16.76 C ATOM 1739 CG PRO A 120 -23.016 -3.248 3.409 1.00 16.23 C ATOM 1740 CD PRO A 120 -24.248 -2.406 3.256 1.00 15.60 C ATOM 0 HA PRO A 120 -25.250 -5.531 3.182 1.00 16.14 H new ATOM 0 HB2 PRO A 120 -23.253 -4.543 5.102 1.00 16.76 H new ATOM 0 HB3 PRO A 120 -22.921 -5.383 3.600 1.00 16.76 H new ATOM 0 HG2 PRO A 120 -22.279 -2.747 4.036 1.00 16.23 H new ATOM 0 HG3 PRO A 120 -22.545 -3.425 2.442 1.00 16.23 H new ATOM 0 HD2 PRO A 120 -24.441 -1.802 4.143 1.00 15.60 H new ATOM 0 HD3 PRO A 120 -24.170 -1.719 2.414 1.00 15.60 H new ATOM 1748 N GLU A 121 -26.957 -4.286 5.104 1.00 16.80 N ATOM 1749 CA GLU A 121 -27.788 -4.351 6.296 1.00 17.43 C ATOM 1750 C GLU A 121 -29.252 -4.152 5.924 1.00 17.54 C ATOM 1751 O GLU A 121 -29.570 -3.371 5.025 1.00 17.45 O ATOM 1752 CB GLU A 121 -27.352 -3.290 7.319 1.00 17.74 C ATOM 1753 CG GLU A 121 -28.152 -3.323 8.614 1.00 18.29 C ATOM 1754 CD GLU A 121 -28.049 -4.652 9.338 1.00 18.56 C ATOM 1755 OE1 GLU A 121 -28.623 -5.648 8.849 1.00 18.46 O ATOM 1756 OE2 GLU A 121 -27.392 -4.705 10.400 1.00 18.99 O ATOM 0 H GLU A 121 -27.399 -3.827 4.308 1.00 16.80 H new ATOM 0 HA GLU A 121 -27.668 -5.335 6.749 1.00 17.43 H new ATOM 0 HB2 GLU A 121 -26.297 -3.433 7.551 1.00 17.74 H new ATOM 0 HB3 GLU A 121 -27.448 -2.302 6.868 1.00 17.74 H new ATOM 0 HG2 GLU A 121 -27.801 -2.528 9.272 1.00 18.29 H new ATOM 0 HG3 GLU A 121 -29.199 -3.115 8.394 1.00 18.29 H new ATOM 1763 N ILE A 122 -30.133 -4.856 6.617 1.00 17.86 N ATOM 1764 CA ILE A 122 -31.560 -4.769 6.355 1.00 18.14 C ATOM 1765 C ILE A 122 -32.258 -4.101 7.542 1.00 18.78 C ATOM 1766 O ILE A 122 -32.153 -4.559 8.683 1.00 19.36 O ATOM 1767 CB ILE A 122 -32.159 -6.175 6.042 1.00 18.28 C ATOM 1768 CG1 ILE A 122 -33.658 -6.102 5.684 1.00 18.60 C ATOM 1769 CG2 ILE A 122 -31.922 -7.142 7.196 1.00 18.47 C ATOM 1770 CD1 ILE A 122 -34.596 -6.044 6.873 1.00 18.99 C ATOM 0 H ILE A 122 -29.882 -5.497 7.369 1.00 17.86 H new ATOM 0 HA ILE A 122 -31.726 -4.154 5.470 1.00 18.14 H new ATOM 0 HB ILE A 122 -31.636 -6.555 5.164 1.00 18.28 H new ATOM 0 HG12 ILE A 122 -33.826 -5.221 5.064 1.00 18.60 H new ATOM 0 HG13 ILE A 122 -33.915 -6.972 5.079 1.00 18.60 H new ATOM 0 HG21 ILE A 122 -32.350 -8.114 6.950 1.00 18.47 H new ATOM 0 HG22 ILE A 122 -30.851 -7.250 7.366 1.00 18.47 H new ATOM 0 HG23 ILE A 122 -32.395 -6.755 8.098 1.00 18.47 H new ATOM 0 HD11 ILE A 122 -35.627 -5.995 6.521 1.00 18.99 H new ATOM 0 HD12 ILE A 122 -34.464 -6.936 7.485 1.00 18.99 H new ATOM 0 HD13 ILE A 122 -34.373 -5.159 7.469 1.00 18.99 H new ATOM 1782 N PRO A 123 -32.941 -2.976 7.292 1.00 18.78 N ATOM 1783 CA PRO A 123 -33.636 -2.231 8.331 1.00 19.43 C ATOM 1784 C PRO A 123 -35.032 -2.784 8.613 1.00 19.90 C ATOM 1785 O PRO A 123 -36.008 -2.301 8.001 1.00 19.85 O ATOM 1786 CB PRO A 123 -33.711 -0.824 7.747 1.00 19.23 C ATOM 1787 CG PRO A 123 -33.752 -1.016 6.267 1.00 18.57 C ATOM 1788 CD PRO A 123 -33.077 -2.333 5.971 1.00 18.25 C ATOM 1789 OXT PRO A 123 -35.154 -3.699 9.453 1.00 20.42 O ATOM 0 HA PRO A 123 -33.125 -2.282 9.292 1.00 19.43 H new ATOM 0 HB2 PRO A 123 -34.598 -0.298 8.100 1.00 19.23 H new ATOM 0 HB3 PRO A 123 -32.848 -0.228 8.043 1.00 19.23 H new ATOM 0 HG2 PRO A 123 -34.781 -1.021 5.908 1.00 18.57 H new ATOM 0 HG3 PRO A 123 -33.241 -0.199 5.758 1.00 18.57 H new ATOM 0 HD2 PRO A 123 -33.673 -2.942 5.291 1.00 18.25 H new ATOM 0 HD3 PRO A 123 -32.106 -2.185 5.498 1.00 18.25 H new TER 1797 PRO A 123