USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1059 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 135 GLN : amide:sc= -0.262 K(o=-0.34,f=-3.2!) USER MOD Set 1.2: A 137 ASN : amide:sc= -0.0803 K(o=-0.34,f=-4.1) USER MOD Single : A 3 GLN : amide:sc= -7.41! C(o=-7.4!,f=-8.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0973 K(o=-0.097,f=-3.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.0394 (180deg=-0.823) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00446 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 90:sc= 1.09 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00948 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.18 F(o=-3.3!,f=-1.2) USER MOD Single : A 42 ASN :FLIP amide:sc= -1.2 F(o=-2.8!,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 49 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.8) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0519 F(o=-1.6!,f=-0.052) USER MOD Single : A 62 THR OG1 : rot -49:sc= 0.643 USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.559 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 0.589 (180deg=-0.157!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.293) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 170:sc= -0.227 USER MOD Single : A 94 LYS NZ :NH3+ -118:sc= -0.757 (180deg=-2.54!) USER MOD Single : A 97 ASN : amide:sc= -2.96 K(o=-3,f=-6.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.197 USER MOD Single : A 107 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-3.1!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 93:sc= 0.433! USER MOD Single : A 111 ASN : amide:sc= -0.716 K(o=-0.72,f=-2.8!) USER MOD Single : A 115 LYS NZ :NH3+ 163:sc= -0.0589 (180deg=-0.514) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 141:sc= 0.0584 USER MOD Single : A 143 GLN : amide:sc= -2.25! C(o=-2.3!,f=-2.5!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 165:sc= -2.37! (180deg=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 51.470 -14.876 14.688 1.00 20.16 N ATOM 2 CA GLN A 3 51.622 -15.944 13.707 1.00 19.97 C ATOM 3 C GLN A 3 51.660 -15.371 12.293 1.00 17.59 C ATOM 4 O GLN A 3 51.008 -15.889 11.386 1.00 19.14 O ATOM 5 CB GLN A 3 50.463 -16.934 13.828 1.00 20.20 C ATOM 6 CG GLN A 3 49.190 -16.184 14.225 1.00 23.46 C ATOM 7 CD GLN A 3 48.974 -14.995 13.296 1.00 22.58 C ATOM 8 OE1 GLN A 3 49.792 -14.076 13.263 1.00 23.20 O ATOM 9 NE2 GLN A 3 47.915 -14.957 12.534 1.00 23.18 N ATOM 0 HA GLN A 3 52.562 -16.461 13.903 1.00 19.97 H new ATOM 0 HB2 GLN A 3 50.312 -17.451 12.880 1.00 20.20 H new ATOM 0 HB3 GLN A 3 50.697 -17.695 14.573 1.00 20.20 H new ATOM 0 HG2 GLN A 3 48.332 -16.855 14.176 1.00 23.46 H new ATOM 0 HG3 GLN A 3 49.267 -15.841 15.257 1.00 23.46 H new ATOM 0 HE21 GLN A 3 47.238 -15.720 12.563 1.00 23.18 H new ATOM 0 HE22 GLN A 3 47.764 -14.165 11.910 1.00 23.18 H new ATOM 18 N LEU A 4 52.426 -14.300 12.114 1.00 13.49 N ATOM 19 CA LEU A 4 52.541 -13.665 10.806 1.00 12.54 C ATOM 20 C LEU A 4 53.530 -14.424 9.928 1.00 9.75 C ATOM 21 O LEU A 4 54.668 -14.669 10.327 1.00 11.53 O ATOM 22 CB LEU A 4 53.005 -12.217 10.969 1.00 12.03 C ATOM 23 CG LEU A 4 52.351 -11.347 9.895 1.00 14.38 C ATOM 24 CD1 LEU A 4 51.053 -10.750 10.441 1.00 12.06 C ATOM 25 CD2 LEU A 4 53.306 -10.216 9.505 1.00 13.89 C ATOM 0 H LEU A 4 52.973 -13.856 12.852 1.00 13.49 H new ATOM 0 HA LEU A 4 51.562 -13.680 10.327 1.00 12.54 H new ATOM 0 HB2 LEU A 4 52.741 -11.849 11.960 1.00 12.03 H new ATOM 0 HB3 LEU A 4 54.090 -12.160 10.887 1.00 12.03 H new ATOM 0 HG LEU A 4 52.130 -11.957 9.019 1.00 14.38 H new ATOM 0 HD11 LEU A 4 50.587 -10.130 9.675 1.00 12.06 H new ATOM 0 HD12 LEU A 4 50.372 -11.554 10.721 1.00 12.06 H new ATOM 0 HD13 LEU A 4 51.273 -10.140 11.317 1.00 12.06 H new ATOM 0 HD21 LEU A 4 52.841 -9.595 8.739 1.00 13.89 H new ATOM 0 HD22 LEU A 4 53.526 -9.607 10.382 1.00 13.89 H new ATOM 0 HD23 LEU A 4 54.232 -10.640 9.116 1.00 13.89 H new ATOM 37 N THR A 5 53.089 -14.791 8.729 1.00 7.34 N ATOM 38 CA THR A 5 53.945 -15.522 7.802 1.00 2.31 C ATOM 39 C THR A 5 55.076 -14.629 7.301 1.00 2.00 C ATOM 40 O THR A 5 54.919 -13.412 7.196 1.00 2.00 O ATOM 41 CB THR A 5 53.122 -16.021 6.613 1.00 2.00 C ATOM 42 OG1 THR A 5 52.616 -14.908 5.888 1.00 2.35 O ATOM 43 CG2 THR A 5 51.958 -16.876 7.118 1.00 2.65 C ATOM 0 H THR A 5 52.151 -14.596 8.379 1.00 7.34 H new ATOM 0 HA THR A 5 54.375 -16.374 8.329 1.00 2.31 H new ATOM 0 HB THR A 5 53.755 -16.623 5.960 1.00 2.00 H new ATOM 0 HG1 THR A 5 52.090 -15.226 5.125 1.00 2.35 H new ATOM 0 HG21 THR A 5 51.372 -17.231 6.270 1.00 2.65 H new ATOM 0 HG22 THR A 5 52.347 -17.730 7.673 1.00 2.65 H new ATOM 0 HG23 THR A 5 51.324 -16.277 7.772 1.00 2.65 H new ATOM 51 N GLU A 6 56.215 -15.241 6.994 1.00 2.00 N ATOM 52 CA GLU A 6 57.366 -14.491 6.505 1.00 2.00 C ATOM 53 C GLU A 6 56.980 -13.642 5.297 1.00 2.00 C ATOM 54 O GLU A 6 57.340 -12.468 5.211 1.00 2.00 O ATOM 55 CB GLU A 6 58.490 -15.453 6.117 1.00 2.00 C ATOM 56 CG GLU A 6 59.244 -15.892 7.374 1.00 2.39 C ATOM 57 CD GLU A 6 60.204 -14.792 7.817 1.00 7.12 C ATOM 58 OE1 GLU A 6 59.985 -14.235 8.879 1.00 4.58 O ATOM 59 OE2 GLU A 6 61.143 -14.524 7.086 1.00 2.00 O ATOM 0 H GLU A 6 56.365 -16.247 7.074 1.00 2.00 H new ATOM 0 HA GLU A 6 57.711 -13.832 7.302 1.00 2.00 H new ATOM 0 HB2 GLU A 6 58.078 -16.323 5.605 1.00 2.00 H new ATOM 0 HB3 GLU A 6 59.174 -14.968 5.421 1.00 2.00 H new ATOM 0 HG2 GLU A 6 58.537 -16.113 8.174 1.00 2.39 H new ATOM 0 HG3 GLU A 6 59.797 -16.810 7.175 1.00 2.39 H new ATOM 66 N GLU A 7 56.247 -14.245 4.367 1.00 2.00 N ATOM 67 CA GLU A 7 55.818 -13.535 3.168 1.00 2.00 C ATOM 68 C GLU A 7 55.216 -12.182 3.531 1.00 2.00 C ATOM 69 O GLU A 7 55.430 -11.190 2.834 1.00 2.00 O ATOM 70 CB GLU A 7 54.784 -14.369 2.409 1.00 2.00 C ATOM 71 CG GLU A 7 54.553 -13.760 1.025 1.00 2.00 C ATOM 72 CD GLU A 7 53.513 -12.648 1.111 1.00 6.50 C ATOM 73 OE1 GLU A 7 53.911 -11.502 1.241 1.00 4.99 O ATOM 74 OE2 GLU A 7 52.335 -12.958 1.045 1.00 6.85 O ATOM 0 H GLU A 7 55.940 -15.216 4.419 1.00 2.00 H new ATOM 0 HA GLU A 7 56.690 -13.373 2.534 1.00 2.00 H new ATOM 0 HB2 GLU A 7 55.131 -15.398 2.312 1.00 2.00 H new ATOM 0 HB3 GLU A 7 53.847 -14.400 2.965 1.00 2.00 H new ATOM 0 HG2 GLU A 7 55.489 -13.364 0.632 1.00 2.00 H new ATOM 0 HG3 GLU A 7 54.217 -14.531 0.331 1.00 2.00 H new ATOM 81 N GLN A 8 54.463 -12.149 4.626 1.00 2.00 N ATOM 82 CA GLN A 8 53.835 -10.911 5.072 1.00 2.00 C ATOM 83 C GLN A 8 54.850 -10.019 5.780 1.00 2.00 C ATOM 84 O GLN A 8 54.861 -8.803 5.591 1.00 2.26 O ATOM 85 CB GLN A 8 52.678 -11.225 6.022 1.00 2.98 C ATOM 86 CG GLN A 8 51.486 -11.751 5.219 1.00 3.96 C ATOM 87 CD GLN A 8 50.242 -11.795 6.101 1.00 6.08 C ATOM 88 OE1 GLN A 8 50.348 -11.763 7.327 1.00 7.35 O ATOM 89 NE2 GLN A 8 49.063 -11.866 5.546 1.00 15.10 N ATOM 0 H GLN A 8 54.274 -12.959 5.217 1.00 2.00 H new ATOM 0 HA GLN A 8 53.454 -10.384 4.197 1.00 2.00 H new ATOM 0 HB2 GLN A 8 52.989 -11.966 6.759 1.00 2.98 H new ATOM 0 HB3 GLN A 8 52.392 -10.329 6.573 1.00 2.98 H new ATOM 0 HG2 GLN A 8 51.307 -11.110 4.356 1.00 3.96 H new ATOM 0 HG3 GLN A 8 51.706 -12.748 4.836 1.00 3.96 H new ATOM 0 HE21 GLN A 8 48.978 -11.892 4.530 1.00 15.10 H new ATOM 0 HE22 GLN A 8 48.226 -11.895 6.128 1.00 15.10 H new ATOM 98 N ILE A 9 55.700 -10.632 6.597 1.00 2.00 N ATOM 99 CA ILE A 9 56.714 -9.883 7.330 1.00 2.00 C ATOM 100 C ILE A 9 57.677 -9.198 6.365 1.00 3.62 C ATOM 101 O ILE A 9 58.205 -8.125 6.657 1.00 2.00 O ATOM 102 CB ILE A 9 57.494 -10.822 8.250 1.00 2.16 C ATOM 103 CG1 ILE A 9 56.581 -11.297 9.384 1.00 2.00 C ATOM 104 CG2 ILE A 9 58.694 -10.080 8.841 1.00 4.72 C ATOM 105 CD1 ILE A 9 57.350 -12.262 10.288 1.00 2.00 C ATOM 0 H ILE A 9 55.708 -11.638 6.768 1.00 2.00 H new ATOM 0 HA ILE A 9 56.214 -9.121 7.928 1.00 2.00 H new ATOM 0 HB ILE A 9 57.845 -11.681 7.678 1.00 2.16 H new ATOM 0 HG12 ILE A 9 56.228 -10.443 9.962 1.00 2.00 H new ATOM 0 HG13 ILE A 9 55.700 -11.790 8.973 1.00 2.00 H new ATOM 0 HG21 ILE A 9 59.249 -10.750 9.497 1.00 4.72 H new ATOM 0 HG22 ILE A 9 59.344 -9.740 8.035 1.00 4.72 H new ATOM 0 HG23 ILE A 9 58.345 -9.220 9.413 1.00 4.72 H new ATOM 0 HD11 ILE A 9 56.700 -12.600 11.095 1.00 2.00 H new ATOM 0 HD12 ILE A 9 57.681 -13.121 9.705 1.00 2.00 H new ATOM 0 HD13 ILE A 9 58.217 -11.753 10.709 1.00 2.00 H new ATOM 117 N ALA A 10 57.900 -9.825 5.214 1.00 5.09 N ATOM 118 CA ALA A 10 58.803 -9.266 4.214 1.00 5.63 C ATOM 119 C ALA A 10 58.213 -7.996 3.610 1.00 4.82 C ATOM 120 O ALA A 10 58.812 -6.923 3.690 1.00 4.15 O ATOM 121 CB ALA A 10 59.054 -10.291 3.107 1.00 6.68 C ATOM 0 H ALA A 10 57.472 -10.713 4.952 1.00 5.09 H new ATOM 0 HA ALA A 10 59.746 -9.019 4.701 1.00 5.63 H new ATOM 0 HB1 ALA A 10 59.729 -9.866 2.364 1.00 6.68 H new ATOM 0 HB2 ALA A 10 59.503 -11.187 3.536 1.00 6.68 H new ATOM 0 HB3 ALA A 10 58.109 -10.552 2.631 1.00 6.68 H new ATOM 127 N GLU A 11 57.037 -8.124 3.005 1.00 2.54 N ATOM 128 CA GLU A 11 56.376 -6.979 2.389 1.00 3.13 C ATOM 129 C GLU A 11 56.406 -5.775 3.325 1.00 5.12 C ATOM 130 O GLU A 11 56.594 -4.640 2.886 1.00 4.53 O ATOM 131 CB GLU A 11 54.926 -7.332 2.054 1.00 2.38 C ATOM 132 CG GLU A 11 54.882 -8.136 0.754 1.00 4.44 C ATOM 133 CD GLU A 11 55.381 -7.281 -0.406 1.00 7.86 C ATOM 134 OE1 GLU A 11 55.633 -7.838 -1.461 1.00 9.34 O ATOM 135 OE2 GLU A 11 55.504 -6.081 -0.221 1.00 18.49 O ATOM 0 H GLU A 11 56.525 -9.003 2.928 1.00 2.54 H new ATOM 0 HA GLU A 11 56.909 -6.725 1.473 1.00 3.13 H new ATOM 0 HB2 GLU A 11 54.485 -7.910 2.866 1.00 2.38 H new ATOM 0 HB3 GLU A 11 54.334 -6.423 1.951 1.00 2.38 H new ATOM 0 HG2 GLU A 11 55.498 -9.030 0.849 1.00 4.44 H new ATOM 0 HG3 GLU A 11 53.863 -8.470 0.558 1.00 4.44 H new ATOM 142 N PHE A 12 56.220 -6.030 4.616 1.00 3.94 N ATOM 143 CA PHE A 12 56.228 -4.958 5.605 1.00 5.41 C ATOM 144 C PHE A 12 57.547 -4.193 5.557 1.00 3.84 C ATOM 145 O PHE A 12 57.563 -2.962 5.579 1.00 4.14 O ATOM 146 CB PHE A 12 56.022 -5.538 7.005 1.00 4.97 C ATOM 147 CG PHE A 12 54.578 -5.366 7.414 1.00 7.97 C ATOM 148 CD1 PHE A 12 54.035 -4.083 7.542 1.00 13.16 C ATOM 149 CD2 PHE A 12 53.783 -6.491 7.665 1.00 11.29 C ATOM 150 CE1 PHE A 12 52.696 -3.924 7.921 1.00 14.89 C ATOM 151 CE2 PHE A 12 52.445 -6.333 8.044 1.00 13.52 C ATOM 152 CZ PHE A 12 51.902 -5.049 8.172 1.00 12.41 C ATOM 0 H PHE A 12 56.063 -6.962 5.000 1.00 3.94 H new ATOM 0 HA PHE A 12 55.415 -4.270 5.374 1.00 5.41 H new ATOM 0 HB2 PHE A 12 56.291 -6.594 7.016 1.00 4.97 H new ATOM 0 HB3 PHE A 12 56.675 -5.036 7.718 1.00 4.97 H new ATOM 0 HD1 PHE A 12 54.648 -3.215 7.349 1.00 13.16 H new ATOM 0 HD2 PHE A 12 54.203 -7.481 7.566 1.00 11.29 H new ATOM 0 HE1 PHE A 12 52.276 -2.934 8.020 1.00 14.89 H new ATOM 0 HE2 PHE A 12 51.832 -7.201 8.238 1.00 13.52 H new ATOM 0 HZ PHE A 12 50.870 -4.926 8.465 1.00 12.41 H new ATOM 162 N LYS A 13 58.651 -4.930 5.492 1.00 4.24 N ATOM 163 CA LYS A 13 59.970 -4.309 5.443 1.00 5.23 C ATOM 164 C LYS A 13 59.992 -3.180 4.417 1.00 4.55 C ATOM 165 O LYS A 13 60.565 -2.118 4.662 1.00 2.18 O ATOM 166 CB LYS A 13 61.025 -5.354 5.077 1.00 7.96 C ATOM 167 CG LYS A 13 62.329 -5.047 5.817 1.00 10.74 C ATOM 168 CD LYS A 13 62.774 -3.618 5.498 1.00 12.48 C ATOM 169 CE LYS A 13 64.214 -3.413 5.971 1.00 16.63 C ATOM 170 NZ LYS A 13 64.879 -2.394 5.112 1.00 18.39 N ATOM 0 H LYS A 13 58.660 -5.950 5.472 1.00 4.24 H new ATOM 0 HA LYS A 13 60.194 -3.896 6.426 1.00 5.23 H new ATOM 0 HB2 LYS A 13 60.671 -6.351 5.341 1.00 7.96 H new ATOM 0 HB3 LYS A 13 61.196 -5.351 4.001 1.00 7.96 H new ATOM 0 HG2 LYS A 13 62.186 -5.163 6.891 1.00 10.74 H new ATOM 0 HG3 LYS A 13 63.103 -5.755 5.520 1.00 10.74 H new ATOM 0 HD2 LYS A 13 62.703 -3.435 4.426 1.00 12.48 H new ATOM 0 HD3 LYS A 13 62.114 -2.902 5.988 1.00 12.48 H new ATOM 0 HE2 LYS A 13 64.223 -3.089 7.012 1.00 16.63 H new ATOM 0 HE3 LYS A 13 64.761 -4.355 5.926 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 65.858 -2.255 5.434 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 64.882 -2.721 4.125 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 64.362 -1.494 5.177 1.00 18.39 H new ATOM 184 N GLU A 14 59.366 -3.417 3.269 1.00 5.40 N ATOM 185 CA GLU A 14 59.321 -2.412 2.214 1.00 5.67 C ATOM 186 C GLU A 14 58.621 -1.149 2.705 1.00 6.21 C ATOM 187 O GLU A 14 58.993 -0.036 2.333 1.00 5.40 O ATOM 188 CB GLU A 14 58.582 -2.967 0.995 1.00 7.02 C ATOM 189 CG GLU A 14 58.746 -2.005 -0.184 1.00 9.36 C ATOM 190 CD GLU A 14 57.642 -0.953 -0.156 1.00 16.81 C ATOM 191 OE1 GLU A 14 56.495 -1.321 -0.348 1.00 18.47 O ATOM 192 OE2 GLU A 14 57.961 0.205 0.058 1.00 22.76 O ATOM 0 H GLU A 14 58.886 -4.289 3.047 1.00 5.40 H new ATOM 0 HA GLU A 14 60.344 -2.160 1.935 1.00 5.67 H new ATOM 0 HB2 GLU A 14 58.976 -3.949 0.734 1.00 7.02 H new ATOM 0 HB3 GLU A 14 57.525 -3.099 1.226 1.00 7.02 H new ATOM 0 HG2 GLU A 14 59.722 -1.521 -0.137 1.00 9.36 H new ATOM 0 HG3 GLU A 14 58.709 -2.558 -1.123 1.00 9.36 H new ATOM 199 N ALA A 15 57.605 -1.330 3.543 1.00 5.16 N ATOM 200 CA ALA A 15 56.860 -0.197 4.080 1.00 5.07 C ATOM 201 C ALA A 15 57.779 0.718 4.882 1.00 5.10 C ATOM 202 O ALA A 15 57.823 1.926 4.652 1.00 5.67 O ATOM 203 CB ALA A 15 55.724 -0.696 4.975 1.00 5.43 C ATOM 0 H ALA A 15 57.281 -2.243 3.863 1.00 5.16 H new ATOM 0 HA ALA A 15 56.443 0.368 3.246 1.00 5.07 H new ATOM 0 HB1 ALA A 15 55.173 0.156 5.372 1.00 5.43 H new ATOM 0 HB2 ALA A 15 55.051 -1.324 4.392 1.00 5.43 H new ATOM 0 HB3 ALA A 15 56.138 -1.276 5.800 1.00 5.43 H new ATOM 209 N PHE A 16 58.512 0.134 5.824 1.00 4.72 N ATOM 210 CA PHE A 16 59.427 0.908 6.655 1.00 6.21 C ATOM 211 C PHE A 16 60.300 1.811 5.789 1.00 7.11 C ATOM 212 O PHE A 16 60.272 3.034 5.928 1.00 4.60 O ATOM 213 CB PHE A 16 60.317 -0.035 7.469 1.00 6.80 C ATOM 214 CG PHE A 16 60.342 0.411 8.912 1.00 5.05 C ATOM 215 CD1 PHE A 16 61.565 0.647 9.551 1.00 6.58 C ATOM 216 CD2 PHE A 16 59.142 0.587 9.611 1.00 10.31 C ATOM 217 CE1 PHE A 16 61.588 1.060 10.889 1.00 4.50 C ATOM 218 CE2 PHE A 16 59.165 1.000 10.948 1.00 10.06 C ATOM 219 CZ PHE A 16 60.388 1.236 11.587 1.00 13.28 C ATOM 0 H PHE A 16 58.491 -0.865 6.030 1.00 4.72 H new ATOM 0 HA PHE A 16 58.839 1.528 7.332 1.00 6.21 H new ATOM 0 HB2 PHE A 16 59.941 -1.056 7.400 1.00 6.80 H new ATOM 0 HB3 PHE A 16 61.328 -0.039 7.062 1.00 6.80 H new ATOM 0 HD1 PHE A 16 62.491 0.511 9.012 1.00 6.58 H new ATOM 0 HD2 PHE A 16 58.198 0.404 9.119 1.00 10.31 H new ATOM 0 HE1 PHE A 16 62.531 1.243 11.382 1.00 4.50 H new ATOM 0 HE2 PHE A 16 58.239 1.137 11.487 1.00 10.06 H new ATOM 0 HZ PHE A 16 60.405 1.554 12.619 1.00 13.28 H new ATOM 229 N SER A 17 61.072 1.201 4.896 1.00 6.98 N ATOM 230 CA SER A 17 61.948 1.961 4.012 1.00 7.97 C ATOM 231 C SER A 17 61.185 3.113 3.367 1.00 7.13 C ATOM 232 O SER A 17 61.779 4.107 2.948 1.00 8.83 O ATOM 233 CB SER A 17 62.512 1.047 2.924 1.00 10.21 C ATOM 234 OG SER A 17 63.063 1.842 1.883 1.00 12.16 O ATOM 0 H SER A 17 61.109 0.190 4.766 1.00 6.98 H new ATOM 0 HA SER A 17 62.768 2.368 4.604 1.00 7.97 H new ATOM 0 HB2 SER A 17 63.278 0.394 3.342 1.00 10.21 H new ATOM 0 HB3 SER A 17 61.725 0.404 2.529 1.00 10.21 H new ATOM 0 HG SER A 17 63.427 1.259 1.184 1.00 12.16 H new ATOM 240 N LEU A 18 59.866 2.972 3.291 1.00 7.48 N ATOM 241 CA LEU A 18 59.030 4.007 2.695 1.00 9.00 C ATOM 242 C LEU A 18 58.760 5.121 3.702 1.00 7.93 C ATOM 243 O LEU A 18 58.643 6.289 3.333 1.00 6.26 O ATOM 244 CB LEU A 18 57.702 3.402 2.228 1.00 10.08 C ATOM 245 CG LEU A 18 57.572 3.553 0.710 1.00 14.78 C ATOM 246 CD1 LEU A 18 57.471 5.036 0.351 1.00 17.89 C ATOM 247 CD2 LEU A 18 58.803 2.948 0.032 1.00 15.78 C ATOM 0 H LEU A 18 59.356 2.157 3.632 1.00 7.48 H new ATOM 0 HA LEU A 18 59.557 4.427 1.838 1.00 9.00 H new ATOM 0 HB2 LEU A 18 57.654 2.349 2.504 1.00 10.08 H new ATOM 0 HB3 LEU A 18 56.870 3.900 2.725 1.00 10.08 H new ATOM 0 HG LEU A 18 56.676 3.035 0.369 1.00 14.78 H new ATOM 0 HD11 LEU A 18 57.378 5.143 -0.730 1.00 17.89 H new ATOM 0 HD12 LEU A 18 56.595 5.469 0.835 1.00 17.89 H new ATOM 0 HD13 LEU A 18 58.367 5.555 0.692 1.00 17.89 H new ATOM 0 HD21 LEU A 18 58.712 3.055 -1.049 1.00 15.78 H new ATOM 0 HD22 LEU A 18 59.699 3.467 0.374 1.00 15.78 H new ATOM 0 HD23 LEU A 18 58.876 1.891 0.287 1.00 15.78 H new ATOM 259 N PHE A 19 58.663 4.752 4.975 1.00 6.61 N ATOM 260 CA PHE A 19 58.407 5.730 6.026 1.00 3.44 C ATOM 261 C PHE A 19 59.719 6.282 6.577 1.00 5.51 C ATOM 262 O PHE A 19 59.900 7.496 6.676 1.00 6.11 O ATOM 263 CB PHE A 19 57.608 5.084 7.159 1.00 4.01 C ATOM 264 CG PHE A 19 56.137 5.115 6.818 1.00 2.30 C ATOM 265 CD1 PHE A 19 55.408 6.300 6.973 1.00 6.71 C ATOM 266 CD2 PHE A 19 55.503 3.959 6.348 1.00 9.14 C ATOM 267 CE1 PHE A 19 54.044 6.329 6.657 1.00 6.83 C ATOM 268 CE2 PHE A 19 54.139 3.987 6.033 1.00 7.38 C ATOM 269 CZ PHE A 19 53.410 5.172 6.187 1.00 6.43 C ATOM 0 H PHE A 19 58.757 3.790 5.302 1.00 6.61 H new ATOM 0 HA PHE A 19 57.831 6.551 5.598 1.00 3.44 H new ATOM 0 HB2 PHE A 19 57.936 4.055 7.309 1.00 4.01 H new ATOM 0 HB3 PHE A 19 57.787 5.615 8.094 1.00 4.01 H new ATOM 0 HD1 PHE A 19 55.897 7.192 7.336 1.00 6.71 H new ATOM 0 HD2 PHE A 19 56.066 3.045 6.228 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.481 7.243 6.776 1.00 6.83 H new ATOM 0 HE2 PHE A 19 53.650 3.095 5.671 1.00 7.38 H new ATOM 0 HZ PHE A 19 52.358 5.194 5.943 1.00 6.43 H new ATOM 279 N ASP A 20 60.630 5.383 6.936 1.00 4.53 N ATOM 280 CA ASP A 20 61.921 5.794 7.477 1.00 5.06 C ATOM 281 C ASP A 20 62.977 5.830 6.377 1.00 5.41 C ATOM 282 O ASP A 20 63.633 4.827 6.099 1.00 7.47 O ATOM 283 CB ASP A 20 62.360 4.823 8.575 1.00 3.50 C ATOM 284 CG ASP A 20 63.558 5.393 9.327 1.00 5.29 C ATOM 285 OD1 ASP A 20 64.571 4.715 9.387 1.00 4.70 O ATOM 286 OD2 ASP A 20 63.445 6.498 9.831 1.00 4.96 O ATOM 0 H ASP A 20 60.500 4.374 6.863 1.00 4.53 H new ATOM 0 HA ASP A 20 61.815 6.794 7.897 1.00 5.06 H new ATOM 0 HB2 ASP A 20 61.536 4.647 9.267 1.00 3.50 H new ATOM 0 HB3 ASP A 20 62.620 3.859 8.137 1.00 3.50 H new ATOM 291 N LYS A 21 63.134 6.993 5.754 1.00 8.35 N ATOM 292 CA LYS A 21 64.112 7.150 4.684 1.00 9.30 C ATOM 293 C LYS A 21 65.498 7.431 5.259 1.00 10.49 C ATOM 294 O LYS A 21 66.509 7.247 4.581 1.00 12.20 O ATOM 295 CB LYS A 21 63.698 8.299 3.763 1.00 10.83 C ATOM 296 CG LYS A 21 62.398 7.934 3.044 1.00 18.65 C ATOM 297 CD LYS A 21 61.733 9.206 2.513 1.00 23.74 C ATOM 298 CE LYS A 21 60.820 8.853 1.338 1.00 21.90 C ATOM 299 NZ LYS A 21 60.073 7.601 1.648 1.00 27.75 N ATOM 0 H LYS A 21 62.601 7.835 5.970 1.00 8.35 H new ATOM 0 HA LYS A 21 64.150 6.222 4.114 1.00 9.30 H new ATOM 0 HB2 LYS A 21 63.562 9.212 4.342 1.00 10.83 H new ATOM 0 HB3 LYS A 21 64.485 8.498 3.035 1.00 10.83 H new ATOM 0 HG2 LYS A 21 62.605 7.249 2.222 1.00 18.65 H new ATOM 0 HG3 LYS A 21 61.725 7.417 3.728 1.00 18.65 H new ATOM 0 HD2 LYS A 21 61.156 9.685 3.304 1.00 23.74 H new ATOM 0 HD3 LYS A 21 62.492 9.920 2.195 1.00 23.74 H new ATOM 0 HE2 LYS A 21 60.122 9.668 1.148 1.00 21.90 H new ATOM 0 HE3 LYS A 21 61.411 8.722 0.431 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 59.206 7.563 1.075 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 60.669 6.778 1.428 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 59.822 7.587 2.657 1.00 27.75 H new ATOM 313 N ASP A 22 65.537 7.879 6.509 1.00 10.35 N ATOM 314 CA ASP A 22 66.805 8.185 7.160 1.00 9.98 C ATOM 315 C ASP A 22 67.558 6.903 7.504 1.00 10.21 C ATOM 316 O ASP A 22 68.753 6.934 7.796 1.00 10.63 O ATOM 317 CB ASP A 22 66.556 8.989 8.438 1.00 11.16 C ATOM 318 CG ASP A 22 66.000 10.365 8.088 1.00 11.39 C ATOM 319 OD1 ASP A 22 65.375 10.965 8.947 1.00 8.03 O ATOM 320 OD2 ASP A 22 66.208 10.798 6.967 1.00 14.13 O ATOM 0 H ASP A 22 64.712 8.037 7.088 1.00 10.35 H new ATOM 0 HA ASP A 22 67.410 8.774 6.471 1.00 9.98 H new ATOM 0 HB2 ASP A 22 65.855 8.457 9.081 1.00 11.16 H new ATOM 0 HB3 ASP A 22 67.485 9.095 8.998 1.00 11.16 H new ATOM 325 N GLY A 23 66.851 5.778 7.468 1.00 8.93 N ATOM 326 CA GLY A 23 67.467 4.493 7.780 1.00 9.95 C ATOM 327 C GLY A 23 67.975 4.468 9.217 1.00 11.51 C ATOM 328 O GLY A 23 68.971 3.813 9.522 1.00 10.61 O ATOM 0 H GLY A 23 65.861 5.729 7.228 1.00 8.93 H new ATOM 0 HA2 GLY A 23 66.742 3.692 7.632 1.00 9.95 H new ATOM 0 HA3 GLY A 23 68.293 4.305 7.095 1.00 9.95 H new ATOM 332 N ASP A 24 67.283 5.186 10.096 1.00 11.42 N ATOM 333 CA ASP A 24 67.673 5.240 11.500 1.00 12.12 C ATOM 334 C ASP A 24 67.155 4.016 12.250 1.00 11.09 C ATOM 335 O ASP A 24 67.761 3.572 13.225 1.00 11.16 O ATOM 336 CB ASP A 24 67.117 6.510 12.147 1.00 12.48 C ATOM 337 CG ASP A 24 67.750 6.718 13.518 1.00 11.83 C ATOM 338 OD1 ASP A 24 67.430 7.710 14.152 1.00 10.91 O ATOM 339 OD2 ASP A 24 68.547 5.883 13.914 1.00 14.28 O ATOM 0 H ASP A 24 66.455 5.735 9.863 1.00 11.42 H new ATOM 0 HA ASP A 24 68.762 5.250 11.554 1.00 12.12 H new ATOM 0 HB2 ASP A 24 67.319 7.371 11.510 1.00 12.48 H new ATOM 0 HB3 ASP A 24 66.034 6.434 12.245 1.00 12.48 H new ATOM 344 N GLY A 25 66.032 3.476 11.789 1.00 9.38 N ATOM 345 CA GLY A 25 65.442 2.304 12.424 1.00 9.47 C ATOM 346 C GLY A 25 64.213 2.688 13.241 1.00 7.97 C ATOM 347 O GLY A 25 63.583 1.837 13.871 1.00 6.95 O ATOM 0 H GLY A 25 65.515 3.828 10.983 1.00 9.38 H new ATOM 0 HA2 GLY A 25 65.164 1.574 11.663 1.00 9.47 H new ATOM 0 HA3 GLY A 25 66.178 1.826 13.070 1.00 9.47 H new ATOM 351 N THR A 26 63.876 3.973 13.226 1.00 7.17 N ATOM 352 CA THR A 26 62.719 4.459 13.969 1.00 8.21 C ATOM 353 C THR A 26 62.085 5.649 13.255 1.00 8.10 C ATOM 354 O THR A 26 62.784 6.542 12.776 1.00 7.63 O ATOM 355 CB THR A 26 63.140 4.875 15.380 1.00 11.49 C ATOM 356 OG1 THR A 26 63.573 6.228 15.363 1.00 16.41 O ATOM 357 CG2 THR A 26 64.282 3.977 15.859 1.00 11.35 C ATOM 0 H THR A 26 64.384 4.693 12.711 1.00 7.17 H new ATOM 0 HA THR A 26 61.987 3.654 14.031 1.00 8.21 H new ATOM 0 HB THR A 26 62.293 4.773 16.058 1.00 11.49 H new ATOM 0 HG1 THR A 26 63.842 6.497 16.266 1.00 16.41 H new ATOM 0 HG21 THR A 26 64.581 4.274 16.864 1.00 11.35 H new ATOM 0 HG22 THR A 26 63.948 2.939 15.871 1.00 11.35 H new ATOM 0 HG23 THR A 26 65.131 4.077 15.183 1.00 11.35 H new ATOM 365 N ILE A 27 60.758 5.654 13.188 1.00 6.76 N ATOM 366 CA ILE A 27 60.041 6.740 12.530 1.00 3.01 C ATOM 367 C ILE A 27 59.503 7.727 13.561 1.00 4.61 C ATOM 368 O ILE A 27 58.864 7.334 14.537 1.00 4.59 O ATOM 369 CB ILE A 27 58.882 6.177 11.706 1.00 4.15 C ATOM 370 CG1 ILE A 27 59.410 5.096 10.759 1.00 8.03 C ATOM 371 CG2 ILE A 27 58.242 7.300 10.889 1.00 6.87 C ATOM 372 CD1 ILE A 27 58.410 3.940 10.696 1.00 5.23 C ATOM 0 H ILE A 27 60.161 4.925 13.578 1.00 6.76 H new ATOM 0 HA ILE A 27 60.734 7.262 11.871 1.00 3.01 H new ATOM 0 HB ILE A 27 58.137 5.745 12.375 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.563 5.513 9.764 1.00 8.03 H new ATOM 0 HG13 ILE A 27 60.378 4.735 11.106 1.00 8.03 H new ATOM 0 HG21 ILE A 27 57.416 6.898 10.302 1.00 6.87 H new ATOM 0 HG22 ILE A 27 57.867 8.071 11.562 1.00 6.87 H new ATOM 0 HG23 ILE A 27 58.986 7.732 10.220 1.00 6.87 H new ATOM 0 HD11 ILE A 27 58.786 3.170 10.022 1.00 5.23 H new ATOM 0 HD12 ILE A 27 58.279 3.517 11.692 1.00 5.23 H new ATOM 0 HD13 ILE A 27 57.452 4.307 10.329 1.00 5.23 H new ATOM 384 N THR A 28 59.764 9.011 13.336 1.00 5.54 N ATOM 385 CA THR A 28 59.300 10.046 14.252 1.00 5.59 C ATOM 386 C THR A 28 58.219 10.899 13.595 1.00 4.18 C ATOM 387 O THR A 28 57.929 10.743 12.409 1.00 3.04 O ATOM 388 CB THR A 28 60.472 10.937 14.669 1.00 7.09 C ATOM 389 OG1 THR A 28 60.902 11.705 13.553 1.00 7.62 O ATOM 390 CG2 THR A 28 61.627 10.066 15.167 1.00 7.80 C ATOM 0 H THR A 28 60.290 9.357 12.534 1.00 5.54 H new ATOM 0 HA THR A 28 58.879 9.562 15.133 1.00 5.59 H new ATOM 0 HB THR A 28 60.153 11.605 15.469 1.00 7.09 H new ATOM 0 HG1 THR A 28 61.652 12.277 13.819 1.00 7.62 H new ATOM 0 HG21 THR A 28 62.461 10.702 15.464 1.00 7.80 H new ATOM 0 HG22 THR A 28 61.296 9.478 16.023 1.00 7.80 H new ATOM 0 HG23 THR A 28 61.948 9.396 14.369 1.00 7.80 H new ATOM 398 N THR A 29 57.628 11.799 14.373 1.00 6.48 N ATOM 399 CA THR A 29 56.580 12.672 13.855 1.00 6.08 C ATOM 400 C THR A 29 57.112 13.522 12.705 1.00 6.97 C ATOM 401 O THR A 29 56.435 13.709 11.694 1.00 10.04 O ATOM 402 CB THR A 29 56.062 13.585 14.968 1.00 8.08 C ATOM 403 OG1 THR A 29 57.037 14.579 15.255 1.00 8.72 O ATOM 404 CG2 THR A 29 55.788 12.759 16.226 1.00 6.60 C ATOM 0 H THR A 29 57.854 11.943 15.357 1.00 6.48 H new ATOM 0 HA THR A 29 55.764 12.050 13.487 1.00 6.08 H new ATOM 0 HB THR A 29 55.138 14.063 14.644 1.00 8.08 H new ATOM 0 HG1 THR A 29 56.706 15.166 15.967 1.00 8.72 H new ATOM 0 HG21 THR A 29 55.419 13.412 17.017 1.00 6.60 H new ATOM 0 HG22 THR A 29 55.040 11.998 16.006 1.00 6.60 H new ATOM 0 HG23 THR A 29 56.710 12.278 16.553 1.00 6.60 H new ATOM 412 N LYS A 30 58.327 14.035 12.869 1.00 6.44 N ATOM 413 CA LYS A 30 58.940 14.865 11.839 1.00 5.32 C ATOM 414 C LYS A 30 59.166 14.059 10.563 1.00 5.11 C ATOM 415 O LYS A 30 59.059 14.589 9.457 1.00 2.00 O ATOM 416 CB LYS A 30 60.277 15.415 12.340 1.00 6.94 C ATOM 417 CG LYS A 30 60.089 16.026 13.730 1.00 11.76 C ATOM 418 CD LYS A 30 61.077 17.179 13.919 1.00 16.32 C ATOM 419 CE LYS A 30 60.391 18.502 13.571 1.00 16.38 C ATOM 420 NZ LYS A 30 59.842 19.118 14.812 1.00 12.63 N ATOM 0 H LYS A 30 58.903 13.892 13.699 1.00 6.44 H new ATOM 0 HA LYS A 30 58.266 15.692 11.617 1.00 5.32 H new ATOM 0 HB2 LYS A 30 61.019 14.617 12.379 1.00 6.94 H new ATOM 0 HB3 LYS A 30 60.655 16.168 11.648 1.00 6.94 H new ATOM 0 HG2 LYS A 30 59.067 16.387 13.845 1.00 11.76 H new ATOM 0 HG3 LYS A 30 60.248 15.268 14.497 1.00 11.76 H new ATOM 0 HD2 LYS A 30 61.433 17.202 14.949 1.00 16.32 H new ATOM 0 HD3 LYS A 30 61.950 17.032 13.283 1.00 16.32 H new ATOM 0 HE2 LYS A 30 61.103 19.180 13.100 1.00 16.38 H new ATOM 0 HE3 LYS A 30 59.590 18.331 12.852 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 59.376 20.017 14.576 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 59.151 18.472 15.244 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 60.616 19.295 15.483 1.00 12.63 H new ATOM 434 N GLU A 31 59.478 12.778 10.725 1.00 2.00 N ATOM 435 CA GLU A 31 59.716 11.910 9.577 1.00 2.98 C ATOM 436 C GLU A 31 58.398 11.539 8.905 1.00 4.00 C ATOM 437 O GLU A 31 58.289 11.557 7.679 1.00 4.67 O ATOM 438 CB GLU A 31 60.437 10.637 10.025 1.00 2.67 C ATOM 439 CG GLU A 31 61.922 10.939 10.235 1.00 3.70 C ATOM 440 CD GLU A 31 62.702 9.638 10.393 1.00 3.21 C ATOM 441 OE1 GLU A 31 62.602 9.035 11.449 1.00 5.59 O ATOM 442 OE2 GLU A 31 63.387 9.264 9.456 1.00 4.09 O ATOM 0 H GLU A 31 59.572 12.320 11.632 1.00 2.00 H new ATOM 0 HA GLU A 31 60.338 12.447 8.862 1.00 2.98 H new ATOM 0 HB2 GLU A 31 59.997 10.263 10.949 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.316 9.855 9.275 1.00 2.67 H new ATOM 0 HG2 GLU A 31 62.310 11.504 9.388 1.00 3.70 H new ATOM 0 HG3 GLU A 31 62.053 11.561 11.120 1.00 3.70 H new ATOM 449 N LEU A 32 57.400 11.205 9.716 1.00 5.61 N ATOM 450 CA LEU A 32 56.093 10.831 9.189 1.00 5.49 C ATOM 451 C LEU A 32 55.456 12.005 8.453 1.00 6.12 C ATOM 452 O LEU A 32 55.152 11.912 7.263 1.00 5.57 O ATOM 453 CB LEU A 32 55.178 10.386 10.332 1.00 5.85 C ATOM 454 CG LEU A 32 55.104 8.859 10.362 1.00 7.72 C ATOM 455 CD1 LEU A 32 54.725 8.393 11.768 1.00 6.45 C ATOM 456 CD2 LEU A 32 54.045 8.381 9.365 1.00 7.63 C ATOM 0 H LEU A 32 57.470 11.186 10.733 1.00 5.61 H new ATOM 0 HA LEU A 32 56.227 10.007 8.488 1.00 5.49 H new ATOM 0 HB2 LEU A 32 55.557 10.761 11.283 1.00 5.85 H new ATOM 0 HB3 LEU A 32 54.181 10.806 10.199 1.00 5.85 H new ATOM 0 HG LEU A 32 56.075 8.443 10.091 1.00 7.72 H new ATOM 0 HD11 LEU A 32 54.672 7.304 11.789 1.00 6.45 H new ATOM 0 HD12 LEU A 32 55.477 8.734 12.479 1.00 6.45 H new ATOM 0 HD13 LEU A 32 53.755 8.808 12.040 1.00 6.45 H new ATOM 0 HD21 LEU A 32 53.991 7.293 9.385 1.00 7.63 H new ATOM 0 HD22 LEU A 32 53.075 8.797 9.637 1.00 7.63 H new ATOM 0 HD23 LEU A 32 54.314 8.712 8.362 1.00 7.63 H new ATOM 468 N GLY A 33 55.256 13.107 9.167 1.00 6.93 N ATOM 469 CA GLY A 33 54.654 14.293 8.569 1.00 4.91 C ATOM 470 C GLY A 33 55.253 14.574 7.195 1.00 6.07 C ATOM 471 O GLY A 33 54.530 14.725 6.211 1.00 6.12 O ATOM 0 H GLY A 33 55.500 13.204 10.153 1.00 6.93 H new ATOM 0 HA2 GLY A 33 53.577 14.153 8.479 1.00 4.91 H new ATOM 0 HA3 GLY A 33 54.810 15.153 9.221 1.00 4.91 H new ATOM 475 N THR A 34 56.579 14.640 7.136 1.00 6.25 N ATOM 476 CA THR A 34 57.265 14.902 5.876 1.00 6.89 C ATOM 477 C THR A 34 56.738 13.982 4.780 1.00 5.87 C ATOM 478 O THR A 34 56.518 14.413 3.647 1.00 4.67 O ATOM 479 CB THR A 34 58.771 14.687 6.046 1.00 7.13 C ATOM 480 OG1 THR A 34 59.297 15.691 6.903 1.00 8.73 O ATOM 481 CG2 THR A 34 59.457 14.766 4.682 1.00 9.63 C ATOM 0 H THR A 34 57.196 14.517 7.939 1.00 6.25 H new ATOM 0 HA THR A 34 57.077 15.937 5.589 1.00 6.89 H new ATOM 0 HB THR A 34 58.951 13.705 6.483 1.00 7.13 H new ATOM 0 HG1 THR A 34 59.250 15.385 7.833 1.00 8.73 H new ATOM 0 HG21 THR A 34 60.529 14.613 4.805 1.00 9.63 H new ATOM 0 HG22 THR A 34 59.053 13.995 4.026 1.00 9.63 H new ATOM 0 HG23 THR A 34 59.279 15.747 4.241 1.00 9.63 H new ATOM 489 N VAL A 35 56.536 12.715 5.124 1.00 4.87 N ATOM 490 CA VAL A 35 56.033 11.742 4.161 1.00 5.50 C ATOM 491 C VAL A 35 54.620 12.108 3.719 1.00 6.36 C ATOM 492 O VAL A 35 54.334 12.185 2.524 1.00 6.78 O ATOM 493 CB VAL A 35 56.030 10.345 4.783 1.00 7.07 C ATOM 494 CG1 VAL A 35 55.362 9.360 3.822 1.00 6.42 C ATOM 495 CG2 VAL A 35 57.471 9.902 5.046 1.00 4.61 C ATOM 0 H VAL A 35 56.711 12.339 6.056 1.00 4.87 H new ATOM 0 HA VAL A 35 56.687 11.749 3.289 1.00 5.50 H new ATOM 0 HB VAL A 35 55.478 10.367 5.723 1.00 7.07 H new ATOM 0 HG11 VAL A 35 55.360 8.364 4.265 1.00 6.42 H new ATOM 0 HG12 VAL A 35 54.336 9.675 3.633 1.00 6.42 H new ATOM 0 HG13 VAL A 35 55.914 9.338 2.882 1.00 6.42 H new ATOM 0 HG21 VAL A 35 57.470 8.906 5.489 1.00 4.61 H new ATOM 0 HG22 VAL A 35 58.022 9.880 4.106 1.00 4.61 H new ATOM 0 HG23 VAL A 35 57.948 10.604 5.730 1.00 4.61 H new ATOM 505 N MET A 36 53.741 12.334 4.690 0.50 5.82 N ATOM 506 CA MET A 36 52.360 12.692 4.388 0.50 6.35 C ATOM 507 C MET A 36 52.292 14.088 3.778 0.50 5.77 C ATOM 508 O MET A 36 51.352 14.414 3.052 0.50 6.52 O ATOM 509 CB MET A 36 51.518 12.649 5.664 0.50 6.47 C ATOM 510 CG MET A 36 51.450 11.211 6.182 0.50 7.91 C ATOM 511 SD MET A 36 50.494 10.198 5.027 0.50 9.11 S ATOM 512 CE MET A 36 51.208 8.599 5.483 0.50 10.12 C ATOM 0 H MET A 36 53.958 12.276 5.685 0.50 5.82 H new ATOM 0 HA MET A 36 51.966 11.973 3.670 0.50 6.35 H new ATOM 0 HB2 MET A 36 51.954 13.300 6.422 0.50 6.47 H new ATOM 0 HB3 MET A 36 50.514 13.022 5.463 0.50 6.47 H new ATOM 0 HG2 MET A 36 52.456 10.805 6.292 0.50 7.91 H new ATOM 0 HG3 MET A 36 50.988 11.190 7.169 0.50 7.91 H new ATOM 0 HE1 MET A 36 50.753 7.812 4.881 0.50 10.12 H new ATOM 0 HE2 MET A 36 52.283 8.617 5.305 0.50 10.12 H new ATOM 0 HE3 MET A 36 51.018 8.404 6.538 0.50 10.12 H new ATOM 522 N ARG A 37 53.294 14.909 4.077 1.00 5.54 N ATOM 523 CA ARG A 37 53.338 16.269 3.552 1.00 5.23 C ATOM 524 C ARG A 37 53.495 16.252 2.035 1.00 5.57 C ATOM 525 O ARG A 37 53.013 17.147 1.341 1.00 5.64 O ATOM 526 CB ARG A 37 54.505 17.033 4.180 1.00 5.44 C ATOM 527 CG ARG A 37 54.497 18.479 3.679 1.00 9.87 C ATOM 528 CD ARG A 37 55.401 19.332 4.569 1.00 7.40 C ATOM 529 NE ARG A 37 54.909 19.327 5.942 1.00 5.71 N ATOM 530 CZ ARG A 37 53.841 20.037 6.291 1.00 5.49 C ATOM 531 NH1 ARG A 37 53.418 20.016 7.525 1.00 4.77 N ATOM 532 NH2 ARG A 37 53.214 20.755 5.399 1.00 5.93 N ATOM 0 H ARG A 37 54.081 14.659 4.676 1.00 5.54 H new ATOM 0 HA ARG A 37 52.401 16.767 3.803 1.00 5.23 H new ATOM 0 HB2 ARG A 37 54.424 17.013 5.267 1.00 5.44 H new ATOM 0 HB3 ARG A 37 55.449 16.553 3.922 1.00 5.44 H new ATOM 0 HG2 ARG A 37 54.843 18.519 2.646 1.00 9.87 H new ATOM 0 HG3 ARG A 37 53.481 18.873 3.690 1.00 9.87 H new ATOM 0 HD2 ARG A 37 56.420 18.947 4.539 1.00 7.40 H new ATOM 0 HD3 ARG A 37 55.435 20.354 4.191 1.00 7.40 H new ATOM 0 HE ARG A 37 55.393 18.769 6.646 1.00 5.71 H new ATOM 0 HH11 ARG A 37 53.907 19.455 8.222 1.00 4.77 H new ATOM 0 HH12 ARG A 37 52.598 20.561 7.793 1.00 4.77 H new ATOM 0 HH21 ARG A 37 53.544 20.771 4.434 1.00 5.93 H new ATOM 0 HH22 ARG A 37 52.394 21.300 5.667 1.00 5.93 H new ATOM 546 N SER A 38 54.173 15.228 1.527 1.00 5.82 N ATOM 547 CA SER A 38 54.388 15.104 0.090 1.00 6.44 C ATOM 548 C SER A 38 53.167 14.484 -0.582 1.00 7.83 C ATOM 549 O SER A 38 53.014 14.557 -1.802 1.00 7.95 O ATOM 550 CB SER A 38 55.617 14.237 -0.182 1.00 5.05 C ATOM 551 OG SER A 38 55.416 13.499 -1.380 1.00 8.15 O ATOM 0 H SER A 38 54.580 14.477 2.084 1.00 5.82 H new ATOM 0 HA SER A 38 54.549 16.100 -0.321 1.00 6.44 H new ATOM 0 HB2 SER A 38 56.505 14.863 -0.272 1.00 5.05 H new ATOM 0 HB3 SER A 38 55.789 13.557 0.653 1.00 5.05 H new ATOM 0 HG SER A 38 56.203 12.943 -1.558 1.00 8.15 H new ATOM 557 N LEU A 39 52.302 13.875 0.221 1.00 7.89 N ATOM 558 CA LEU A 39 51.097 13.246 -0.307 1.00 8.71 C ATOM 559 C LEU A 39 49.957 14.256 -0.389 1.00 8.85 C ATOM 560 O LEU A 39 48.794 13.884 -0.543 1.00 8.85 O ATOM 561 CB LEU A 39 50.682 12.077 0.589 1.00 9.15 C ATOM 562 CG LEU A 39 51.290 10.781 0.052 1.00 8.10 C ATOM 563 CD1 LEU A 39 52.799 10.959 -0.126 1.00 10.10 C ATOM 564 CD2 LEU A 39 51.025 9.646 1.043 1.00 12.78 C ATOM 0 H LEU A 39 52.411 13.803 1.233 1.00 7.89 H new ATOM 0 HA LEU A 39 51.313 12.876 -1.309 1.00 8.71 H new ATOM 0 HB2 LEU A 39 51.017 12.252 1.611 1.00 9.15 H new ATOM 0 HB3 LEU A 39 49.595 11.996 0.619 1.00 9.15 H new ATOM 0 HG LEU A 39 50.837 10.539 -0.910 1.00 8.10 H new ATOM 0 HD11 LEU A 39 53.232 10.035 -0.509 1.00 10.10 H new ATOM 0 HD12 LEU A 39 52.989 11.768 -0.831 1.00 10.10 H new ATOM 0 HD13 LEU A 39 53.253 11.201 0.835 1.00 10.10 H new ATOM 0 HD21 LEU A 39 51.458 8.721 0.661 1.00 12.78 H new ATOM 0 HD22 LEU A 39 51.478 9.889 2.004 1.00 12.78 H new ATOM 0 HD23 LEU A 39 49.950 9.518 1.170 1.00 12.78 H new ATOM 576 N GLY A 40 50.299 15.536 -0.285 1.00 9.60 N ATOM 577 CA GLY A 40 49.296 16.593 -0.349 1.00 8.71 C ATOM 578 C GLY A 40 48.490 16.658 0.944 1.00 8.84 C ATOM 579 O GLY A 40 47.382 17.192 0.969 1.00 8.80 O ATOM 0 H GLY A 40 51.256 15.865 -0.157 1.00 9.60 H new ATOM 0 HA2 GLY A 40 49.783 17.552 -0.527 1.00 8.71 H new ATOM 0 HA3 GLY A 40 48.627 16.414 -1.191 1.00 8.71 H new ATOM 583 N GLN A 41 49.055 16.111 2.015 1.00 9.43 N ATOM 584 CA GLN A 41 48.379 16.112 3.308 1.00 9.39 C ATOM 585 C GLN A 41 48.966 17.185 4.219 1.00 9.13 C ATOM 586 O GLN A 41 50.163 17.471 4.167 1.00 9.37 O ATOM 587 CB GLN A 41 48.522 14.742 3.973 1.00 9.54 C ATOM 588 CG GLN A 41 47.565 14.650 5.163 1.00 14.07 C ATOM 589 CD GLN A 41 46.227 14.073 4.713 1.00 18.80 C ATOM 590 OE1 GLN A 41 45.426 14.799 3.982 1.00 20.35 O flip ATOM 591 NE2 GLN A 41 45.903 12.930 5.037 1.00 17.18 N flip ATOM 0 H GLN A 41 49.972 15.664 2.015 1.00 9.43 H new ATOM 0 HA GLN A 41 47.323 16.328 3.144 1.00 9.39 H new ATOM 0 HB2 GLN A 41 48.302 13.952 3.254 1.00 9.54 H new ATOM 0 HB3 GLN A 41 49.549 14.593 4.306 1.00 9.54 H new ATOM 0 HG2 GLN A 41 47.998 14.021 5.941 1.00 14.07 H new ATOM 0 HG3 GLN A 41 47.416 15.638 5.598 1.00 14.07 H new ATOM 0 HE21 GLN A 41 46.531 12.365 5.608 1.00 17.18 H new ATOM 0 HE22 GLN A 41 45.007 12.549 4.734 1.00 17.18 H new ATOM 600 N ASN A 42 48.116 17.776 5.053 0.50 9.56 N ATOM 601 CA ASN A 42 48.561 18.816 5.972 0.50 9.39 C ATOM 602 C ASN A 42 47.947 18.609 7.353 0.50 9.08 C ATOM 603 O ASN A 42 46.966 19.260 7.712 0.50 10.22 O ATOM 604 CB ASN A 42 48.161 20.192 5.436 0.50 9.34 C ATOM 605 CG ASN A 42 48.837 20.446 4.093 0.50 8.10 C ATOM 606 OD1 ASN A 42 50.011 19.927 3.857 0.50 6.34 O flip ATOM 607 ND2 ASN A 42 48.282 21.134 3.237 0.50 6.21 N flip ATOM 0 H ASN A 42 47.122 17.554 5.111 0.50 9.56 H new ATOM 0 HA ASN A 42 49.646 18.760 6.057 0.50 9.39 H new ATOM 0 HB2 ASN A 42 47.078 20.247 5.323 0.50 9.34 H new ATOM 0 HB3 ASN A 42 48.447 20.966 6.148 0.50 9.34 H new ATOM 0 HD21 ASN A 42 47.364 21.538 3.424 0.50 6.21 H new ATOM 0 HD22 ASN A 42 48.739 21.300 2.341 0.50 6.21 H new ATOM 614 N PRO A 43 48.506 17.716 8.125 1.00 8.50 N ATOM 615 CA PRO A 43 48.010 17.410 9.495 1.00 6.21 C ATOM 616 C PRO A 43 48.442 18.462 10.514 1.00 4.45 C ATOM 617 O PRO A 43 49.447 19.148 10.324 1.00 7.13 O ATOM 618 CB PRO A 43 48.640 16.054 9.807 1.00 6.33 C ATOM 619 CG PRO A 43 49.894 16.001 8.995 1.00 8.63 C ATOM 620 CD PRO A 43 49.677 16.897 7.772 1.00 8.24 C ATOM 0 HA PRO A 43 46.921 17.403 9.546 1.00 6.21 H new ATOM 0 HB2 PRO A 43 48.857 15.957 10.871 1.00 6.33 H new ATOM 0 HB3 PRO A 43 47.967 15.238 9.543 1.00 6.33 H new ATOM 0 HG2 PRO A 43 50.746 16.347 9.580 1.00 8.63 H new ATOM 0 HG3 PRO A 43 50.112 14.978 8.689 1.00 8.63 H new ATOM 0 HD2 PRO A 43 50.551 17.517 7.573 1.00 8.24 H new ATOM 0 HD3 PRO A 43 49.494 16.307 6.874 1.00 8.24 H new ATOM 628 N THR A 44 47.677 18.581 11.594 1.00 4.83 N ATOM 629 CA THR A 44 47.990 19.552 12.637 1.00 3.51 C ATOM 630 C THR A 44 49.070 19.008 13.567 1.00 2.59 C ATOM 631 O THR A 44 49.403 17.824 13.523 1.00 2.00 O ATOM 632 CB THR A 44 46.732 19.874 13.445 1.00 3.90 C ATOM 633 OG1 THR A 44 45.584 19.674 12.631 1.00 3.35 O ATOM 634 CG2 THR A 44 46.781 21.330 13.911 1.00 3.21 C ATOM 0 H THR A 44 46.842 18.022 11.770 1.00 4.83 H new ATOM 0 HA THR A 44 48.359 20.462 12.163 1.00 3.51 H new ATOM 0 HB THR A 44 46.681 19.218 14.314 1.00 3.90 H new ATOM 0 HG1 THR A 44 44.777 19.878 13.148 1.00 3.35 H new ATOM 0 HG21 THR A 44 45.884 21.558 14.487 1.00 3.21 H new ATOM 0 HG22 THR A 44 47.661 21.483 14.535 1.00 3.21 H new ATOM 0 HG23 THR A 44 46.833 21.988 13.044 1.00 3.21 H new ATOM 642 N GLU A 45 49.612 19.881 14.410 1.00 2.00 N ATOM 643 CA GLU A 45 50.653 19.477 15.347 1.00 3.60 C ATOM 644 C GLU A 45 50.122 18.428 16.318 1.00 4.17 C ATOM 645 O GLU A 45 50.804 17.449 16.624 1.00 5.52 O ATOM 646 CB GLU A 45 51.152 20.694 16.130 1.00 4.15 C ATOM 647 CG GLU A 45 52.171 20.244 17.179 1.00 7.46 C ATOM 648 CD GLU A 45 52.718 21.455 17.927 1.00 7.32 C ATOM 649 OE1 GLU A 45 53.147 21.284 19.056 1.00 16.78 O ATOM 650 OE2 GLU A 45 52.700 22.535 17.360 1.00 13.96 O ATOM 0 H GLU A 45 49.350 20.865 14.463 1.00 2.00 H new ATOM 0 HA GLU A 45 51.478 19.046 14.780 1.00 3.60 H new ATOM 0 HB2 GLU A 45 51.608 21.415 15.451 1.00 4.15 H new ATOM 0 HB3 GLU A 45 50.315 21.197 16.614 1.00 4.15 H new ATOM 0 HG2 GLU A 45 51.702 19.554 17.881 1.00 7.46 H new ATOM 0 HG3 GLU A 45 52.987 19.704 16.698 1.00 7.46 H new ATOM 657 N ALA A 46 48.901 18.638 16.799 1.00 4.80 N ATOM 658 CA ALA A 46 48.288 17.703 17.735 1.00 3.98 C ATOM 659 C ALA A 46 47.763 16.475 16.998 1.00 2.82 C ATOM 660 O ALA A 46 47.580 15.413 17.593 1.00 4.64 O ATOM 661 CB ALA A 46 47.137 18.385 18.477 1.00 3.36 C ATOM 0 H ALA A 46 48.320 19.441 16.558 1.00 4.80 H new ATOM 0 HA ALA A 46 49.046 17.387 18.452 1.00 3.98 H new ATOM 0 HB1 ALA A 46 46.685 17.680 19.174 1.00 3.36 H new ATOM 0 HB2 ALA A 46 47.518 19.245 19.027 1.00 3.36 H new ATOM 0 HB3 ALA A 46 46.387 18.717 17.759 1.00 3.36 H new ATOM 667 N GLU A 47 47.523 16.628 15.700 0.50 3.25 N ATOM 668 CA GLU A 47 47.019 15.524 14.891 0.50 4.03 C ATOM 669 C GLU A 47 48.112 14.484 14.664 0.50 2.00 C ATOM 670 O GLU A 47 47.919 13.298 14.932 0.50 2.21 O ATOM 671 CB GLU A 47 46.524 16.048 13.542 0.50 3.18 C ATOM 672 CG GLU A 47 45.046 16.427 13.652 0.50 2.62 C ATOM 673 CD GLU A 47 44.558 17.014 12.332 0.50 5.31 C ATOM 674 OE1 GLU A 47 45.363 17.124 11.422 0.50 6.18 O ATOM 675 OE2 GLU A 47 43.386 17.344 12.250 0.50 2.00 O ATOM 0 H GLU A 47 47.668 17.499 15.189 0.50 3.25 H new ATOM 0 HA GLU A 47 46.192 15.056 15.424 0.50 4.03 H new ATOM 0 HB2 GLU A 47 47.111 16.915 13.239 0.50 3.18 H new ATOM 0 HB3 GLU A 47 46.659 15.287 12.773 0.50 3.18 H new ATOM 0 HG2 GLU A 47 44.455 15.548 13.909 0.50 2.62 H new ATOM 0 HG3 GLU A 47 44.907 17.151 14.455 0.50 2.62 H new ATOM 682 N LEU A 48 49.260 14.937 14.170 1.00 2.12 N ATOM 683 CA LEU A 48 50.377 14.036 13.912 1.00 2.61 C ATOM 684 C LEU A 48 50.956 13.511 15.222 1.00 3.92 C ATOM 685 O LEU A 48 51.087 12.303 15.414 1.00 2.59 O ATOM 686 CB LEU A 48 51.467 14.768 13.127 1.00 5.42 C ATOM 687 CG LEU A 48 52.182 13.781 12.203 1.00 4.58 C ATOM 688 CD1 LEU A 48 51.306 13.500 10.980 1.00 6.65 C ATOM 689 CD2 LEU A 48 53.513 14.383 11.747 1.00 5.37 C ATOM 0 H LEU A 48 49.440 15.915 13.942 1.00 2.12 H new ATOM 0 HA LEU A 48 50.011 13.193 13.326 1.00 2.61 H new ATOM 0 HB2 LEU A 48 51.028 15.577 12.543 1.00 5.42 H new ATOM 0 HB3 LEU A 48 52.181 15.222 13.814 1.00 5.42 H new ATOM 0 HG LEU A 48 52.367 12.850 12.739 1.00 4.58 H new ATOM 0 HD11 LEU A 48 51.815 12.797 10.321 1.00 6.65 H new ATOM 0 HD12 LEU A 48 50.357 13.072 11.303 1.00 6.65 H new ATOM 0 HD13 LEU A 48 51.121 14.431 10.443 1.00 6.65 H new ATOM 0 HD21 LEU A 48 54.023 13.680 11.088 1.00 5.37 H new ATOM 0 HD22 LEU A 48 53.327 15.313 11.211 1.00 5.37 H new ATOM 0 HD23 LEU A 48 54.138 14.585 12.617 1.00 5.37 H new ATOM 701 N GLN A 49 51.300 14.429 16.120 1.00 4.04 N ATOM 702 CA GLN A 49 51.864 14.047 17.410 1.00 6.32 C ATOM 703 C GLN A 49 51.043 12.928 18.043 1.00 4.43 C ATOM 704 O GLN A 49 51.594 11.944 18.536 1.00 6.21 O ATOM 705 CB GLN A 49 51.889 15.256 18.347 1.00 5.48 C ATOM 706 CG GLN A 49 52.676 14.906 19.611 1.00 4.72 C ATOM 707 CD GLN A 49 54.172 14.934 19.319 1.00 3.92 C ATOM 708 OE1 GLN A 49 54.829 13.892 19.337 1.00 7.05 O ATOM 709 NE2 GLN A 49 54.754 16.070 19.049 1.00 2.12 N ATOM 0 H GLN A 49 51.199 15.434 15.980 1.00 4.04 H new ATOM 0 HA GLN A 49 52.881 13.690 17.250 1.00 6.32 H new ATOM 0 HB2 GLN A 49 52.347 16.109 17.845 1.00 5.48 H new ATOM 0 HB3 GLN A 49 50.872 15.548 18.608 1.00 5.48 H new ATOM 0 HG2 GLN A 49 52.439 15.614 20.405 1.00 4.72 H new ATOM 0 HG3 GLN A 49 52.385 13.918 19.968 1.00 4.72 H new ATOM 0 HE21 GLN A 49 54.208 16.932 19.035 1.00 2.12 H new ATOM 0 HE22 GLN A 49 55.755 16.096 18.852 1.00 2.12 H new ATOM 718 N ASP A 50 49.724 13.085 18.024 1.00 3.85 N ATOM 719 CA ASP A 50 48.836 12.081 18.598 1.00 5.51 C ATOM 720 C ASP A 50 48.843 10.813 17.750 1.00 4.73 C ATOM 721 O ASP A 50 48.443 9.744 18.211 1.00 3.05 O ATOM 722 CB ASP A 50 47.412 12.632 18.686 1.00 6.72 C ATOM 723 CG ASP A 50 46.417 11.484 18.822 1.00 3.36 C ATOM 724 OD1 ASP A 50 45.477 11.446 18.045 1.00 2.00 O ATOM 725 OD2 ASP A 50 46.609 10.660 19.701 1.00 3.77 O ATOM 0 H ASP A 50 49.249 13.892 17.620 1.00 3.85 H new ATOM 0 HA ASP A 50 49.192 11.837 19.599 1.00 5.51 H new ATOM 0 HB2 ASP A 50 47.325 13.303 19.541 1.00 6.72 H new ATOM 0 HB3 ASP A 50 47.184 13.218 17.796 1.00 6.72 H new ATOM 730 N MET A 51 49.299 10.941 16.508 1.00 4.95 N ATOM 731 CA MET A 51 49.353 9.798 15.604 1.00 5.39 C ATOM 732 C MET A 51 50.403 8.795 16.071 1.00 5.93 C ATOM 733 O MET A 51 50.127 7.601 16.183 1.00 8.69 O ATOM 734 CB MET A 51 49.688 10.268 14.187 1.00 6.81 C ATOM 735 CG MET A 51 49.095 9.290 13.171 1.00 6.35 C ATOM 736 SD MET A 51 49.934 9.491 11.580 1.00 10.13 S ATOM 737 CE MET A 51 48.915 8.330 10.637 1.00 13.60 C ATOM 0 H MET A 51 49.634 11.817 16.107 1.00 4.95 H new ATOM 0 HA MET A 51 48.377 9.312 15.604 1.00 5.39 H new ATOM 0 HB2 MET A 51 49.289 11.268 14.020 1.00 6.81 H new ATOM 0 HB3 MET A 51 50.769 10.331 14.059 1.00 6.81 H new ATOM 0 HG2 MET A 51 49.208 8.266 13.527 1.00 6.35 H new ATOM 0 HG3 MET A 51 48.026 9.472 13.056 1.00 6.35 H new ATOM 0 HE1 MET A 51 49.264 8.295 9.605 1.00 13.60 H new ATOM 0 HE2 MET A 51 48.991 7.337 11.079 1.00 13.60 H new ATOM 0 HE3 MET A 51 47.876 8.658 10.658 1.00 13.60 H new ATOM 747 N ILE A 52 51.607 9.288 16.341 1.00 7.65 N ATOM 748 CA ILE A 52 52.691 8.424 16.796 1.00 4.46 C ATOM 749 C ILE A 52 52.255 7.620 18.018 1.00 4.03 C ATOM 750 O ILE A 52 52.483 6.413 18.091 1.00 3.57 O ATOM 751 CB ILE A 52 53.922 9.268 17.139 1.00 6.21 C ATOM 752 CG1 ILE A 52 54.777 9.452 15.883 1.00 8.71 C ATOM 753 CG2 ILE A 52 54.752 8.563 18.216 1.00 7.56 C ATOM 754 CD1 ILE A 52 53.914 10.022 14.756 1.00 8.27 C ATOM 0 H ILE A 52 51.856 10.273 16.254 1.00 7.65 H new ATOM 0 HA ILE A 52 52.944 7.730 15.994 1.00 4.46 H new ATOM 0 HB ILE A 52 53.598 10.240 17.511 1.00 6.21 H new ATOM 0 HG12 ILE A 52 55.610 10.123 16.092 1.00 8.71 H new ATOM 0 HG13 ILE A 52 55.206 8.497 15.579 1.00 8.71 H new ATOM 0 HG21 ILE A 52 55.626 9.168 18.456 1.00 7.56 H new ATOM 0 HG22 ILE A 52 54.146 8.429 19.112 1.00 7.56 H new ATOM 0 HG23 ILE A 52 55.075 7.589 17.847 1.00 7.56 H new ATOM 0 HD11 ILE A 52 54.523 10.153 13.862 1.00 8.27 H new ATOM 0 HD12 ILE A 52 53.096 9.334 14.540 1.00 8.27 H new ATOM 0 HD13 ILE A 52 53.507 10.986 15.062 1.00 8.27 H new ATOM 766 N ASN A 53 51.628 8.297 18.974 1.00 2.63 N ATOM 767 CA ASN A 53 51.166 7.633 20.187 1.00 2.00 C ATOM 768 C ASN A 53 50.509 6.299 19.848 1.00 6.04 C ATOM 769 O ASN A 53 50.818 5.272 20.453 1.00 3.59 O ATOM 770 CB ASN A 53 50.165 8.525 20.923 1.00 9.04 C ATOM 771 CG ASN A 53 49.904 7.974 22.320 1.00 3.69 C ATOM 772 OD1 ASN A 53 50.820 7.253 22.909 1.00 2.06 O flip ATOM 773 ND2 ASN A 53 48.839 8.205 22.892 1.00 3.59 N flip ATOM 0 H ASN A 53 51.429 9.297 18.934 1.00 2.63 H new ATOM 0 HA ASN A 53 52.027 7.449 20.829 1.00 2.00 H new ATOM 0 HB2 ASN A 53 50.553 9.542 20.991 1.00 9.04 H new ATOM 0 HB3 ASN A 53 49.231 8.577 20.363 1.00 9.04 H new ATOM 0 HD21 ASN A 53 48.124 8.768 22.431 1.00 3.59 H new ATOM 0 HD22 ASN A 53 48.671 7.833 23.827 1.00 3.59 H new ATOM 780 N GLU A 54 49.602 6.322 18.877 1.00 5.74 N ATOM 781 CA GLU A 54 48.907 5.107 18.465 1.00 2.00 C ATOM 782 C GLU A 54 49.905 3.991 18.175 1.00 2.75 C ATOM 783 O GLU A 54 49.754 2.869 18.658 1.00 4.80 O ATOM 784 CB GLU A 54 48.069 5.383 17.215 1.00 2.00 C ATOM 785 CG GLU A 54 46.862 6.246 17.590 1.00 5.28 C ATOM 786 CD GLU A 54 45.983 6.472 16.365 1.00 15.98 C ATOM 787 OE1 GLU A 54 44.773 6.418 16.511 1.00 23.58 O ATOM 788 OE2 GLU A 54 46.532 6.695 15.299 1.00 23.43 O ATOM 0 H GLU A 54 49.332 7.161 18.364 1.00 5.74 H new ATOM 0 HA GLU A 54 48.253 4.792 19.278 1.00 2.00 H new ATOM 0 HB2 GLU A 54 48.674 5.891 16.464 1.00 2.00 H new ATOM 0 HB3 GLU A 54 47.735 4.444 16.773 1.00 2.00 H new ATOM 0 HG2 GLU A 54 46.286 5.758 18.376 1.00 5.28 H new ATOM 0 HG3 GLU A 54 47.198 7.203 17.988 1.00 5.28 H new ATOM 795 N VAL A 55 50.925 4.306 17.382 1.00 2.00 N ATOM 796 CA VAL A 55 51.942 3.321 17.034 1.00 3.29 C ATOM 797 C VAL A 55 53.004 3.239 18.126 1.00 5.38 C ATOM 798 O VAL A 55 53.910 2.408 18.063 1.00 3.32 O ATOM 799 CB VAL A 55 52.601 3.697 15.706 1.00 4.63 C ATOM 800 CG1 VAL A 55 53.246 2.456 15.087 1.00 7.60 C ATOM 801 CG2 VAL A 55 51.541 4.249 14.751 1.00 6.66 C ATOM 0 H VAL A 55 51.068 5.229 16.971 1.00 2.00 H new ATOM 0 HA VAL A 55 51.460 2.348 16.937 1.00 3.29 H new ATOM 0 HB VAL A 55 53.365 4.455 15.881 1.00 4.63 H new ATOM 0 HG11 VAL A 55 53.716 2.724 14.141 1.00 7.60 H new ATOM 0 HG12 VAL A 55 54.000 2.060 15.767 1.00 7.60 H new ATOM 0 HG13 VAL A 55 52.482 1.698 14.911 1.00 7.60 H new ATOM 0 HG21 VAL A 55 52.009 4.518 13.804 1.00 6.66 H new ATOM 0 HG22 VAL A 55 50.778 3.490 14.577 1.00 6.66 H new ATOM 0 HG23 VAL A 55 51.080 5.133 15.191 1.00 6.66 H new ATOM 811 N ASP A 56 52.885 4.106 19.126 1.00 4.38 N ATOM 812 CA ASP A 56 53.841 4.122 20.228 1.00 5.59 C ATOM 813 C ASP A 56 53.207 3.561 21.496 1.00 9.10 C ATOM 814 O ASP A 56 52.513 4.274 22.222 1.00 10.26 O ATOM 815 CB ASP A 56 54.320 5.553 20.483 1.00 5.02 C ATOM 816 CG ASP A 56 55.804 5.551 20.830 1.00 8.99 C ATOM 817 OD1 ASP A 56 56.590 5.954 19.988 1.00 10.72 O ATOM 818 OD2 ASP A 56 56.135 5.148 21.933 1.00 12.55 O ATOM 0 H ASP A 56 52.142 4.802 19.197 1.00 4.38 H new ATOM 0 HA ASP A 56 54.692 3.498 19.955 1.00 5.59 H new ATOM 0 HB2 ASP A 56 54.145 6.167 19.599 1.00 5.02 H new ATOM 0 HB3 ASP A 56 53.748 5.997 21.298 1.00 5.02 H new ATOM 823 N ALA A 57 53.450 2.281 21.757 1.00 9.17 N ATOM 824 CA ALA A 57 52.896 1.635 22.942 1.00 12.52 C ATOM 825 C ALA A 57 53.771 1.912 24.161 1.00 14.37 C ATOM 826 O ALA A 57 53.267 2.228 25.239 1.00 15.13 O ATOM 827 CB ALA A 57 52.797 0.126 22.715 1.00 12.36 C ATOM 0 H ALA A 57 54.022 1.674 21.170 1.00 9.17 H new ATOM 0 HA ALA A 57 51.901 2.041 23.123 1.00 12.52 H new ATOM 0 HB1 ALA A 57 52.383 -0.349 23.604 1.00 12.36 H new ATOM 0 HB2 ALA A 57 52.148 -0.072 21.862 1.00 12.36 H new ATOM 0 HB3 ALA A 57 53.790 -0.278 22.517 1.00 12.36 H new ATOM 833 N ASP A 58 55.082 1.791 23.982 1.00 14.32 N ATOM 834 CA ASP A 58 56.017 2.031 25.075 1.00 13.48 C ATOM 835 C ASP A 58 56.222 3.527 25.285 1.00 13.08 C ATOM 836 O ASP A 58 56.894 3.945 26.229 1.00 14.09 O ATOM 837 CB ASP A 58 57.361 1.368 24.767 1.00 11.69 C ATOM 838 CG ASP A 58 57.691 1.520 23.286 1.00 12.70 C ATOM 839 OD1 ASP A 58 57.883 0.507 22.635 1.00 6.62 O ATOM 840 OD2 ASP A 58 57.747 2.648 22.825 1.00 9.36 O ATOM 0 H ASP A 58 55.519 1.530 23.098 1.00 14.32 H new ATOM 0 HA ASP A 58 55.600 1.601 25.986 1.00 13.48 H new ATOM 0 HB2 ASP A 58 58.146 1.822 25.371 1.00 11.69 H new ATOM 0 HB3 ASP A 58 57.324 0.312 25.033 1.00 11.69 H new ATOM 845 N GLY A 59 55.639 4.330 24.401 1.00 13.64 N ATOM 846 CA GLY A 59 55.765 5.779 24.500 1.00 12.80 C ATOM 847 C GLY A 59 57.230 6.200 24.504 1.00 12.45 C ATOM 848 O GLY A 59 57.662 6.971 25.361 1.00 11.32 O ATOM 0 H GLY A 59 55.078 4.005 23.613 1.00 13.64 H new ATOM 0 HA2 GLY A 59 55.250 6.251 23.663 1.00 12.80 H new ATOM 0 HA3 GLY A 59 55.280 6.129 25.411 1.00 12.80 H new ATOM 852 N ASP A 60 57.990 5.688 23.541 1.00 10.86 N ATOM 853 CA ASP A 60 59.408 6.018 23.444 1.00 11.08 C ATOM 854 C ASP A 60 59.607 7.288 22.623 1.00 11.89 C ATOM 855 O ASP A 60 60.661 7.921 22.686 1.00 13.26 O ATOM 856 CB ASP A 60 60.170 4.863 22.793 1.00 13.03 C ATOM 857 CG ASP A 60 59.680 4.654 21.364 1.00 13.27 C ATOM 858 OD1 ASP A 60 58.487 4.784 21.143 1.00 9.09 O ATOM 859 OD2 ASP A 60 60.505 4.368 20.512 1.00 7.54 O ATOM 0 H ASP A 60 57.652 5.048 22.822 1.00 10.86 H new ATOM 0 HA ASP A 60 59.793 6.185 24.450 1.00 11.08 H new ATOM 0 HB2 ASP A 60 61.239 5.077 22.792 1.00 13.03 H new ATOM 0 HB3 ASP A 60 60.028 3.951 23.372 1.00 13.03 H new ATOM 864 N GLY A 61 58.588 7.655 21.853 1.00 11.65 N ATOM 865 CA GLY A 61 58.663 8.852 21.023 1.00 9.60 C ATOM 866 C GLY A 61 58.843 8.486 19.554 1.00 9.33 C ATOM 867 O GLY A 61 58.743 9.341 18.675 1.00 7.68 O ATOM 0 H GLY A 61 57.707 7.145 21.786 1.00 11.65 H new ATOM 0 HA2 GLY A 61 57.755 9.442 21.146 1.00 9.60 H new ATOM 0 HA3 GLY A 61 59.495 9.475 21.351 1.00 9.60 H new ATOM 871 N THR A 62 59.108 7.210 19.296 1.00 6.58 N ATOM 872 CA THR A 62 59.301 6.741 17.929 1.00 6.33 C ATOM 873 C THR A 62 58.602 5.401 17.719 1.00 7.13 C ATOM 874 O THR A 62 58.003 4.852 18.644 1.00 6.30 O ATOM 875 CB THR A 62 60.794 6.591 17.632 1.00 7.99 C ATOM 876 OG1 THR A 62 61.234 5.309 18.057 1.00 9.62 O ATOM 877 CG2 THR A 62 61.576 7.674 18.378 1.00 11.55 C ATOM 0 H THR A 62 59.194 6.487 20.010 1.00 6.58 H new ATOM 0 HA THR A 62 58.868 7.475 17.249 1.00 6.33 H new ATOM 0 HB THR A 62 60.964 6.697 16.560 1.00 7.99 H new ATOM 0 HG1 THR A 62 60.928 5.145 18.973 1.00 9.62 H new ATOM 0 HG21 THR A 62 62.640 7.566 18.166 1.00 11.55 H new ATOM 0 HG22 THR A 62 61.238 8.657 18.051 1.00 11.55 H new ATOM 0 HG23 THR A 62 61.408 7.571 19.450 1.00 11.55 H new ATOM 885 N ILE A 63 58.682 4.882 16.498 1.00 7.32 N ATOM 886 CA ILE A 63 58.051 3.606 16.179 1.00 8.34 C ATOM 887 C ILE A 63 59.105 2.533 15.924 1.00 8.66 C ATOM 888 O ILE A 63 60.143 2.799 15.319 1.00 7.62 O ATOM 889 CB ILE A 63 57.166 3.758 14.940 1.00 8.46 C ATOM 890 CG1 ILE A 63 55.809 4.333 15.353 1.00 10.06 C ATOM 891 CG2 ILE A 63 56.963 2.391 14.286 1.00 7.97 C ATOM 892 CD1 ILE A 63 55.967 5.812 15.707 1.00 9.28 C ATOM 0 H ILE A 63 59.173 5.321 15.719 1.00 7.32 H new ATOM 0 HA ILE A 63 57.440 3.303 17.029 1.00 8.34 H new ATOM 0 HB ILE A 63 57.646 4.431 14.230 1.00 8.46 H new ATOM 0 HG12 ILE A 63 55.091 4.217 14.541 1.00 10.06 H new ATOM 0 HG13 ILE A 63 55.415 3.784 16.208 1.00 10.06 H new ATOM 0 HG21 ILE A 63 56.333 2.500 13.404 1.00 7.97 H new ATOM 0 HG22 ILE A 63 57.929 1.981 13.993 1.00 7.97 H new ATOM 0 HG23 ILE A 63 56.482 1.717 14.994 1.00 7.97 H new ATOM 0 HD11 ILE A 63 55.000 6.221 16.001 1.00 9.28 H new ATOM 0 HD12 ILE A 63 56.671 5.915 16.533 1.00 9.28 H new ATOM 0 HD13 ILE A 63 56.342 6.356 14.840 1.00 9.28 H new ATOM 904 N ASP A 64 58.829 1.319 16.391 1.00 8.67 N ATOM 905 CA ASP A 64 59.759 0.210 16.209 1.00 8.18 C ATOM 906 C ASP A 64 59.128 -0.879 15.345 1.00 5.74 C ATOM 907 O ASP A 64 57.991 -0.743 14.892 1.00 3.75 O ATOM 908 CB ASP A 64 60.149 -0.371 17.569 1.00 8.75 C ATOM 909 CG ASP A 64 60.558 0.751 18.516 1.00 7.61 C ATOM 910 OD1 ASP A 64 59.956 0.858 19.572 1.00 11.33 O ATOM 911 OD2 ASP A 64 61.468 1.488 18.173 1.00 9.97 O ATOM 0 H ASP A 64 57.975 1.079 16.895 1.00 8.67 H new ATOM 0 HA ASP A 64 60.651 0.583 15.707 1.00 8.18 H new ATOM 0 HB2 ASP A 64 59.311 -0.927 17.990 1.00 8.75 H new ATOM 0 HB3 ASP A 64 60.972 -1.076 17.450 1.00 8.75 H new ATOM 916 N PHE A 65 59.871 -1.958 15.117 1.00 6.48 N ATOM 917 CA PHE A 65 59.369 -3.059 14.300 1.00 6.44 C ATOM 918 C PHE A 65 58.260 -3.811 15.031 1.00 6.12 C ATOM 919 O PHE A 65 57.186 -4.045 14.475 1.00 4.44 O ATOM 920 CB PHE A 65 60.509 -4.026 13.960 1.00 5.02 C ATOM 921 CG PHE A 65 60.651 -4.139 12.460 1.00 5.00 C ATOM 922 CD1 PHE A 65 60.723 -2.983 11.673 1.00 7.40 C ATOM 923 CD2 PHE A 65 60.710 -5.401 11.856 1.00 5.31 C ATOM 924 CE1 PHE A 65 60.853 -3.089 10.283 1.00 6.56 C ATOM 925 CE2 PHE A 65 60.840 -5.507 10.466 1.00 7.32 C ATOM 926 CZ PHE A 65 60.912 -4.351 9.680 1.00 5.90 C ATOM 0 H PHE A 65 60.814 -2.094 15.482 1.00 6.48 H new ATOM 0 HA PHE A 65 58.962 -2.642 13.379 1.00 6.44 H new ATOM 0 HB2 PHE A 65 61.442 -3.671 14.398 1.00 5.02 H new ATOM 0 HB3 PHE A 65 60.307 -5.007 14.391 1.00 5.02 H new ATOM 0 HD1 PHE A 65 60.678 -2.009 12.138 1.00 7.40 H new ATOM 0 HD2 PHE A 65 60.655 -6.293 12.463 1.00 5.31 H new ATOM 0 HE1 PHE A 65 60.908 -2.197 9.676 1.00 6.56 H new ATOM 0 HE2 PHE A 65 60.885 -6.480 10.000 1.00 7.32 H new ATOM 0 HZ PHE A 65 61.013 -4.433 8.608 1.00 5.90 H new ATOM 936 N PRO A 66 58.500 -4.191 16.257 1.00 5.59 N ATOM 937 CA PRO A 66 57.501 -4.935 17.079 1.00 3.90 C ATOM 938 C PRO A 66 56.170 -4.193 17.171 1.00 4.48 C ATOM 939 O PRO A 66 55.104 -4.810 17.177 1.00 6.66 O ATOM 940 CB PRO A 66 58.159 -5.044 18.459 1.00 6.57 C ATOM 941 CG PRO A 66 59.620 -4.845 18.227 1.00 2.24 C ATOM 942 CD PRO A 66 59.750 -3.954 16.993 1.00 3.70 C ATOM 0 HA PRO A 66 57.260 -5.905 16.644 1.00 3.90 H new ATOM 0 HB2 PRO A 66 57.765 -4.291 19.141 1.00 6.57 H new ATOM 0 HB3 PRO A 66 57.963 -6.017 18.910 1.00 6.57 H new ATOM 0 HG2 PRO A 66 60.089 -4.378 19.093 1.00 2.24 H new ATOM 0 HG3 PRO A 66 60.121 -5.800 18.069 1.00 2.24 H new ATOM 0 HD2 PRO A 66 59.860 -2.905 17.267 1.00 3.70 H new ATOM 0 HD3 PRO A 66 60.622 -4.221 16.397 1.00 3.70 H new ATOM 950 N GLU A 67 56.240 -2.868 17.241 1.00 3.17 N ATOM 951 CA GLU A 67 55.035 -2.052 17.332 1.00 5.95 C ATOM 952 C GLU A 67 54.553 -1.652 15.941 1.00 6.62 C ATOM 953 O GLU A 67 53.351 -1.622 15.675 1.00 3.48 O ATOM 954 CB GLU A 67 55.316 -0.796 18.158 1.00 5.69 C ATOM 955 CG GLU A 67 55.796 -1.199 19.553 1.00 5.12 C ATOM 956 CD GLU A 67 56.607 -0.066 20.173 1.00 3.86 C ATOM 957 OE1 GLU A 67 57.807 -0.232 20.316 1.00 7.44 O ATOM 958 OE2 GLU A 67 56.016 0.952 20.495 1.00 5.11 O ATOM 0 H GLU A 67 57.112 -2.339 17.237 1.00 3.17 H new ATOM 0 HA GLU A 67 54.257 -2.639 17.819 1.00 5.95 H new ATOM 0 HB2 GLU A 67 56.072 -0.185 17.664 1.00 5.69 H new ATOM 0 HB3 GLU A 67 54.414 -0.188 18.234 1.00 5.69 H new ATOM 0 HG2 GLU A 67 54.941 -1.434 20.187 1.00 5.12 H new ATOM 0 HG3 GLU A 67 56.405 -2.101 19.491 1.00 5.12 H new ATOM 965 N PHE A 68 55.497 -1.345 15.058 1.00 6.05 N ATOM 966 CA PHE A 68 55.155 -0.948 13.697 1.00 4.52 C ATOM 967 C PHE A 68 54.306 -2.020 13.023 1.00 3.96 C ATOM 968 O PHE A 68 53.373 -1.711 12.281 1.00 5.29 O ATOM 969 CB PHE A 68 56.429 -0.718 12.881 1.00 4.53 C ATOM 970 CG PHE A 68 56.074 -0.605 11.418 1.00 2.68 C ATOM 971 CD1 PHE A 68 55.079 0.290 11.006 1.00 8.58 C ATOM 972 CD2 PHE A 68 56.740 -1.394 10.472 1.00 2.58 C ATOM 973 CE1 PHE A 68 54.750 0.395 9.649 1.00 5.36 C ATOM 974 CE2 PHE A 68 56.410 -1.289 9.116 1.00 7.42 C ATOM 975 CZ PHE A 68 55.415 -0.394 8.704 1.00 2.84 C ATOM 0 H PHE A 68 56.497 -1.363 15.258 1.00 6.05 H new ATOM 0 HA PHE A 68 54.582 -0.022 13.744 1.00 4.52 H new ATOM 0 HB2 PHE A 68 56.930 0.190 13.216 1.00 4.53 H new ATOM 0 HB3 PHE A 68 57.126 -1.542 13.035 1.00 4.53 H new ATOM 0 HD1 PHE A 68 54.565 0.899 11.735 1.00 8.58 H new ATOM 0 HD2 PHE A 68 57.508 -2.084 10.789 1.00 2.58 H new ATOM 0 HE1 PHE A 68 53.983 1.085 9.332 1.00 5.36 H new ATOM 0 HE2 PHE A 68 56.923 -1.899 8.387 1.00 7.42 H new ATOM 0 HZ PHE A 68 55.161 -0.313 7.657 1.00 2.84 H new ATOM 985 N LEU A 69 54.628 -3.281 13.294 1.00 3.21 N ATOM 986 CA LEU A 69 53.881 -4.391 12.716 1.00 2.17 C ATOM 987 C LEU A 69 52.634 -4.678 13.544 1.00 2.00 C ATOM 988 O LEU A 69 51.552 -4.901 12.999 1.00 4.25 O ATOM 989 CB LEU A 69 54.763 -5.641 12.663 1.00 4.14 C ATOM 990 CG LEU A 69 55.637 -5.597 11.408 1.00 4.19 C ATOM 991 CD1 LEU A 69 57.081 -5.940 11.779 1.00 3.81 C ATOM 992 CD2 LEU A 69 55.117 -6.615 10.391 1.00 9.43 C ATOM 0 H LEU A 69 55.396 -3.558 13.906 1.00 3.21 H new ATOM 0 HA LEU A 69 53.579 -4.119 11.705 1.00 2.17 H new ATOM 0 HB2 LEU A 69 55.389 -5.695 13.553 1.00 4.14 H new ATOM 0 HB3 LEU A 69 54.142 -6.537 12.655 1.00 4.14 H new ATOM 0 HG LEU A 69 55.601 -4.597 10.975 1.00 4.19 H new ATOM 0 HD11 LEU A 69 57.704 -5.909 10.885 1.00 3.81 H new ATOM 0 HD12 LEU A 69 57.452 -5.216 12.505 1.00 3.81 H new ATOM 0 HD13 LEU A 69 57.118 -6.940 12.212 1.00 3.81 H new ATOM 0 HD21 LEU A 69 55.738 -6.585 9.496 1.00 9.43 H new ATOM 0 HD22 LEU A 69 55.154 -7.614 10.825 1.00 9.43 H new ATOM 0 HD23 LEU A 69 54.088 -6.372 10.126 1.00 9.43 H new ATOM 1004 N THR A 70 52.794 -4.671 14.864 1.00 3.70 N ATOM 1005 CA THR A 70 51.674 -4.931 15.761 1.00 5.12 C ATOM 1006 C THR A 70 50.598 -3.864 15.595 1.00 5.47 C ATOM 1007 O THR A 70 49.411 -4.175 15.501 1.00 6.71 O ATOM 1008 CB THR A 70 52.159 -4.950 17.212 1.00 6.65 C ATOM 1009 OG1 THR A 70 53.176 -5.931 17.357 1.00 7.41 O ATOM 1010 CG2 THR A 70 50.989 -5.283 18.139 1.00 7.53 C ATOM 0 H THR A 70 53.681 -4.490 15.333 1.00 3.70 H new ATOM 0 HA THR A 70 51.249 -5.902 15.509 1.00 5.12 H new ATOM 0 HB THR A 70 52.559 -3.971 17.475 1.00 6.65 H new ATOM 0 HG1 THR A 70 54.014 -5.591 16.980 1.00 7.41 H new ATOM 0 HG21 THR A 70 51.336 -5.296 19.172 1.00 7.53 H new ATOM 0 HG22 THR A 70 50.210 -4.529 18.027 1.00 7.53 H new ATOM 0 HG23 THR A 70 50.586 -6.262 17.879 1.00 7.53 H new ATOM 1018 N MET A 71 51.022 -2.605 15.559 1.00 4.38 N ATOM 1019 CA MET A 71 50.085 -1.499 15.403 1.00 6.23 C ATOM 1020 C MET A 71 49.116 -1.779 14.259 1.00 7.97 C ATOM 1021 O MET A 71 47.907 -1.587 14.396 1.00 7.91 O ATOM 1022 CB MET A 71 50.848 -0.203 15.122 1.00 7.76 C ATOM 1023 CG MET A 71 49.913 0.806 14.454 1.00 9.30 C ATOM 1024 SD MET A 71 49.770 0.421 12.692 1.00 11.86 S ATOM 1025 CE MET A 71 48.736 1.834 12.234 1.00 11.60 C ATOM 0 H MET A 71 52.000 -2.327 15.635 1.00 4.38 H new ATOM 0 HA MET A 71 49.519 -1.393 16.328 1.00 6.23 H new ATOM 0 HB2 MET A 71 51.240 0.209 16.052 1.00 7.76 H new ATOM 0 HB3 MET A 71 51.703 -0.405 14.477 1.00 7.76 H new ATOM 0 HG2 MET A 71 48.930 0.775 14.925 1.00 9.30 H new ATOM 0 HG3 MET A 71 50.298 1.817 14.586 1.00 9.30 H new ATOM 0 HE1 MET A 71 48.521 1.796 11.166 1.00 11.60 H new ATOM 0 HE2 MET A 71 47.802 1.798 12.794 1.00 11.60 H new ATOM 0 HE3 MET A 71 49.262 2.760 12.465 1.00 11.60 H new ATOM 1035 N MET A 72 49.654 -2.233 13.132 1.00 9.49 N ATOM 1036 CA MET A 72 48.826 -2.537 11.970 1.00 9.20 C ATOM 1037 C MET A 72 48.023 -3.813 12.204 1.00 8.73 C ATOM 1038 O MET A 72 46.810 -3.841 11.999 1.00 8.56 O ATOM 1039 CB MET A 72 49.707 -2.706 10.731 1.00 11.85 C ATOM 1040 CG MET A 72 48.876 -3.297 9.591 1.00 12.33 C ATOM 1041 SD MET A 72 49.419 -2.587 8.017 1.00 22.32 S ATOM 1042 CE MET A 72 48.193 -3.402 6.965 1.00 15.46 C ATOM 0 H MET A 72 50.652 -2.398 12.998 1.00 9.49 H new ATOM 0 HA MET A 72 48.134 -1.709 11.813 1.00 9.20 H new ATOM 0 HB2 MET A 72 50.121 -1.743 10.432 1.00 11.85 H new ATOM 0 HB3 MET A 72 50.550 -3.359 10.957 1.00 11.85 H new ATOM 0 HG2 MET A 72 48.986 -4.381 9.570 1.00 12.33 H new ATOM 0 HG3 MET A 72 47.818 -3.087 9.751 1.00 12.33 H new ATOM 0 HE1 MET A 72 48.345 -3.101 5.929 1.00 15.46 H new ATOM 0 HE2 MET A 72 48.303 -4.483 7.049 1.00 15.46 H new ATOM 0 HE3 MET A 72 47.191 -3.113 7.283 1.00 15.46 H new ATOM 1052 N ALA A 73 48.709 -4.867 12.635 1.00 8.08 N ATOM 1053 CA ALA A 73 48.048 -6.141 12.894 1.00 7.41 C ATOM 1054 C ALA A 73 46.861 -5.947 13.832 1.00 8.06 C ATOM 1055 O ALA A 73 45.732 -6.310 13.502 1.00 5.90 O ATOM 1056 CB ALA A 73 49.038 -7.127 13.517 1.00 9.15 C ATOM 0 H ALA A 73 49.714 -4.865 12.811 1.00 8.08 H new ATOM 0 HA ALA A 73 47.687 -6.541 11.946 1.00 7.41 H new ATOM 0 HB1 ALA A 73 48.536 -8.076 13.707 1.00 9.15 H new ATOM 0 HB2 ALA A 73 49.871 -7.288 12.832 1.00 9.15 H new ATOM 0 HB3 ALA A 73 49.414 -6.721 14.456 1.00 9.15 H new ATOM 1062 N ARG A 74 47.124 -5.373 15.001 1.00 7.07 N ATOM 1063 CA ARG A 74 46.069 -5.135 15.978 1.00 10.51 C ATOM 1064 C ARG A 74 44.845 -4.523 15.304 1.00 13.70 C ATOM 1065 O ARG A 74 43.709 -4.814 15.676 1.00 13.80 O ATOM 1066 CB ARG A 74 46.574 -4.194 17.074 1.00 9.06 C ATOM 1067 CG ARG A 74 47.112 -5.018 18.246 1.00 8.61 C ATOM 1068 CD ARG A 74 47.847 -4.098 19.222 1.00 8.72 C ATOM 1069 NE ARG A 74 46.918 -3.572 20.216 1.00 7.70 N ATOM 1070 CZ ARG A 74 46.446 -4.343 21.190 1.00 10.03 C ATOM 1071 NH1 ARG A 74 45.616 -3.849 22.068 1.00 9.17 N ATOM 1072 NH2 ARG A 74 46.811 -5.593 21.269 1.00 12.90 N ATOM 0 H ARG A 74 48.052 -5.066 15.293 1.00 7.07 H new ATOM 0 HA ARG A 74 45.787 -6.090 16.421 1.00 10.51 H new ATOM 0 HB2 ARG A 74 47.358 -3.547 16.680 1.00 9.06 H new ATOM 0 HB3 ARG A 74 45.766 -3.545 17.412 1.00 9.06 H new ATOM 0 HG2 ARG A 74 46.292 -5.525 18.755 1.00 8.61 H new ATOM 0 HG3 ARG A 74 47.787 -5.792 17.881 1.00 8.61 H new ATOM 0 HD2 ARG A 74 48.648 -4.647 19.717 1.00 8.72 H new ATOM 0 HD3 ARG A 74 48.312 -3.276 18.678 1.00 8.72 H new ATOM 0 HE ARG A 74 46.626 -2.596 20.163 1.00 7.70 H new ATOM 0 HH11 ARG A 74 45.330 -2.872 22.006 1.00 9.17 H new ATOM 0 HH12 ARG A 74 45.253 -4.440 22.816 1.00 9.17 H new ATOM 0 HH21 ARG A 74 47.459 -5.979 20.583 1.00 12.90 H new ATOM 0 HH22 ARG A 74 46.448 -6.184 22.017 1.00 12.90 H new ATOM 1086 N LYS A 75 45.087 -3.674 14.310 1.00 16.35 N ATOM 1087 CA LYS A 75 43.996 -3.027 13.589 1.00 20.00 C ATOM 1088 C LYS A 75 42.949 -4.054 13.172 1.00 24.09 C ATOM 1089 O LYS A 75 41.751 -3.847 13.366 1.00 25.18 O ATOM 1090 CB LYS A 75 44.540 -2.316 12.349 1.00 19.04 C ATOM 1091 CG LYS A 75 43.610 -1.160 11.974 1.00 19.89 C ATOM 1092 CD LYS A 75 44.124 -0.483 10.702 1.00 18.07 C ATOM 1093 CE LYS A 75 43.213 0.693 10.345 1.00 18.98 C ATOM 1094 NZ LYS A 75 41.927 0.176 9.796 1.00 19.67 N ATOM 0 H LYS A 75 46.021 -3.419 13.987 1.00 16.35 H new ATOM 0 HA LYS A 75 43.529 -2.297 14.250 1.00 20.00 H new ATOM 0 HB2 LYS A 75 45.544 -1.940 12.544 1.00 19.04 H new ATOM 0 HB3 LYS A 75 44.618 -3.018 11.519 1.00 19.04 H new ATOM 0 HG2 LYS A 75 42.597 -1.530 11.817 1.00 19.89 H new ATOM 0 HG3 LYS A 75 43.563 -0.438 12.789 1.00 19.89 H new ATOM 0 HD2 LYS A 75 45.145 -0.133 10.851 1.00 18.07 H new ATOM 0 HD3 LYS A 75 44.149 -1.199 9.881 1.00 18.07 H new ATOM 0 HE2 LYS A 75 43.025 1.302 11.229 1.00 18.98 H new ATOM 0 HE3 LYS A 75 43.701 1.336 9.613 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 41.539 0.861 9.116 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 42.094 -0.731 9.316 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 41.249 0.037 10.572 1.00 19.67 H new ATOM 1108 N MET A 76 43.409 -5.161 12.597 1.00 27.98 N ATOM 1109 CA MET A 76 42.502 -6.214 12.156 1.00 31.28 C ATOM 1110 C MET A 76 41.840 -6.887 13.354 1.00 33.28 C ATOM 1111 O MET A 76 40.873 -7.633 13.203 1.00 34.71 O ATOM 1112 CB MET A 76 43.269 -7.257 11.341 1.00 31.71 C ATOM 1113 CG MET A 76 44.348 -6.563 10.508 1.00 33.18 C ATOM 1114 SD MET A 76 44.788 -7.609 9.099 1.00 34.79 S ATOM 1115 CE MET A 76 46.413 -6.881 8.774 1.00 33.37 C ATOM 0 H MET A 76 44.397 -5.351 12.427 1.00 27.98 H new ATOM 0 HA MET A 76 41.729 -5.764 11.533 1.00 31.28 H new ATOM 0 HB2 MET A 76 43.724 -7.991 12.006 1.00 31.71 H new ATOM 0 HB3 MET A 76 42.584 -7.800 10.689 1.00 31.71 H new ATOM 0 HG2 MET A 76 43.986 -5.596 10.158 1.00 33.18 H new ATOM 0 HG3 MET A 76 45.229 -6.371 11.121 1.00 33.18 H new ATOM 0 HE1 MET A 76 46.875 -7.386 7.925 1.00 33.37 H new ATOM 0 HE2 MET A 76 46.298 -5.821 8.547 1.00 33.37 H new ATOM 0 HE3 MET A 76 47.046 -6.997 9.654 1.00 33.37 H new ATOM 1125 N LYS A 77 42.369 -6.619 14.544 1.00 35.40 N ATOM 1126 CA LYS A 77 41.821 -7.205 15.762 1.00 36.50 C ATOM 1127 C LYS A 77 41.178 -6.130 16.631 1.00 37.55 C ATOM 1128 O LYS A 77 41.305 -6.150 17.856 1.00 37.57 O ATOM 1129 CB LYS A 77 42.931 -7.904 16.550 1.00 36.85 C ATOM 1130 CG LYS A 77 43.505 -9.051 15.715 1.00 37.43 C ATOM 1131 CD LYS A 77 44.569 -9.790 16.528 1.00 37.60 C ATOM 1132 CE LYS A 77 45.663 -10.305 15.590 1.00 37.65 C ATOM 1133 NZ LYS A 77 45.049 -11.149 14.527 1.00 35.44 N ATOM 0 H LYS A 77 43.170 -6.005 14.690 1.00 35.40 H new ATOM 0 HA LYS A 77 41.060 -7.933 15.482 1.00 36.50 H new ATOM 0 HB2 LYS A 77 43.718 -7.192 16.799 1.00 36.85 H new ATOM 0 HB3 LYS A 77 42.537 -8.287 17.492 1.00 36.85 H new ATOM 0 HG2 LYS A 77 42.710 -9.738 15.426 1.00 37.43 H new ATOM 0 HG3 LYS A 77 43.940 -8.663 14.794 1.00 37.43 H new ATOM 0 HD2 LYS A 77 45.000 -9.123 17.274 1.00 37.60 H new ATOM 0 HD3 LYS A 77 44.117 -10.622 17.068 1.00 37.60 H new ATOM 0 HE2 LYS A 77 46.196 -9.467 15.141 1.00 37.65 H new ATOM 0 HE3 LYS A 77 46.395 -10.885 16.152 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 45.783 -11.737 14.083 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 44.322 -11.762 14.947 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 44.613 -10.538 13.807 1.00 35.44 H new ATOM 1147 N ASP A 78 40.486 -5.193 15.991 1.00 38.44 N ATOM 1148 CA ASP A 78 39.827 -4.114 16.717 1.00 38.90 C ATOM 1149 C ASP A 78 38.794 -3.424 15.831 1.00 38.64 C ATOM 1150 O ASP A 78 38.759 -3.639 14.620 1.00 38.62 O ATOM 1151 CB ASP A 78 40.863 -3.091 17.188 1.00 39.45 C ATOM 1152 CG ASP A 78 41.557 -3.595 18.449 1.00 40.62 C ATOM 1153 OD1 ASP A 78 40.962 -3.492 19.509 1.00 41.55 O ATOM 1154 OD2 ASP A 78 42.672 -4.075 18.336 1.00 42.58 O ATOM 0 H ASP A 78 40.368 -5.159 14.978 1.00 38.44 H new ATOM 0 HA ASP A 78 39.320 -4.541 17.582 1.00 38.90 H new ATOM 0 HB2 ASP A 78 41.599 -2.918 16.402 1.00 39.45 H new ATOM 0 HB3 ASP A 78 40.378 -2.135 17.387 1.00 39.45 H new ATOM 1159 N THR A 79 37.955 -2.596 16.444 1.00 38.19 N ATOM 1160 CA THR A 79 36.925 -1.880 15.701 1.00 37.86 C ATOM 1161 C THR A 79 37.546 -0.771 14.858 1.00 37.73 C ATOM 1162 O THR A 79 38.664 -0.330 15.121 1.00 37.97 O ATOM 1163 CB THR A 79 35.905 -1.278 16.670 1.00 37.85 C ATOM 1164 OG1 THR A 79 36.563 -0.374 17.546 1.00 37.57 O ATOM 1165 CG2 THR A 79 35.250 -2.395 17.483 1.00 38.40 C ATOM 0 H THR A 79 37.967 -2.405 17.446 1.00 38.19 H new ATOM 0 HA THR A 79 36.423 -2.586 15.039 1.00 37.86 H new ATOM 0 HB THR A 79 35.139 -0.745 16.107 1.00 37.85 H new ATOM 0 HG1 THR A 79 35.911 0.014 18.166 1.00 37.57 H new ATOM 0 HG21 THR A 79 34.524 -1.965 18.173 1.00 38.40 H new ATOM 0 HG22 THR A 79 34.745 -3.087 16.809 1.00 38.40 H new ATOM 0 HG23 THR A 79 36.014 -2.930 18.047 1.00 38.40 H new ATOM 1173 N ASP A 80 36.812 -0.324 13.843 1.00 36.93 N ATOM 1174 CA ASP A 80 37.301 0.734 12.967 1.00 35.96 C ATOM 1175 C ASP A 80 36.247 1.824 12.803 1.00 34.62 C ATOM 1176 O ASP A 80 35.057 1.587 13.008 1.00 34.15 O ATOM 1177 CB ASP A 80 37.658 0.155 11.597 1.00 36.21 C ATOM 1178 CG ASP A 80 39.088 -0.373 11.610 1.00 36.84 C ATOM 1179 OD1 ASP A 80 39.628 -0.590 10.538 1.00 37.34 O ATOM 1180 OD2 ASP A 80 39.623 -0.552 12.692 1.00 37.51 O ATOM 0 H ASP A 80 35.884 -0.675 13.608 1.00 36.93 H new ATOM 0 HA ASP A 80 38.191 1.171 13.419 1.00 35.96 H new ATOM 0 HB2 ASP A 80 36.967 -0.649 11.342 1.00 36.21 H new ATOM 0 HB3 ASP A 80 37.552 0.922 10.830 1.00 36.21 H new ATOM 1185 N SER A 81 36.693 3.020 12.431 1.00 33.12 N ATOM 1186 CA SER A 81 35.780 4.140 12.241 1.00 32.50 C ATOM 1187 C SER A 81 35.760 4.575 10.779 1.00 31.96 C ATOM 1188 O SER A 81 36.798 4.908 10.207 1.00 32.51 O ATOM 1189 CB SER A 81 36.207 5.316 13.119 1.00 32.54 C ATOM 1190 OG SER A 81 35.548 6.496 12.678 1.00 31.58 O ATOM 0 H SER A 81 37.674 3.237 12.256 1.00 33.12 H new ATOM 0 HA SER A 81 34.778 3.819 12.526 1.00 32.50 H new ATOM 0 HB2 SER A 81 35.959 5.115 14.161 1.00 32.54 H new ATOM 0 HB3 SER A 81 37.288 5.449 13.068 1.00 32.54 H new ATOM 0 HG SER A 81 35.691 7.214 13.330 1.00 31.58 H new ATOM 1196 N GLU A 82 34.573 4.567 10.180 1.00 30.82 N ATOM 1197 CA GLU A 82 34.430 4.962 8.784 1.00 29.89 C ATOM 1198 C GLU A 82 35.065 6.329 8.544 1.00 28.70 C ATOM 1199 O GLU A 82 35.221 6.759 7.401 1.00 28.16 O ATOM 1200 CB GLU A 82 32.949 5.012 8.405 1.00 30.37 C ATOM 1201 CG GLU A 82 32.811 5.012 6.881 1.00 31.12 C ATOM 1202 CD GLU A 82 31.337 4.988 6.491 1.00 32.64 C ATOM 1203 OE1 GLU A 82 30.652 4.063 6.895 1.00 34.28 O ATOM 1204 OE2 GLU A 82 30.914 5.896 5.794 1.00 32.86 O ATOM 0 H GLU A 82 33.703 4.293 10.636 1.00 30.82 H new ATOM 0 HA GLU A 82 34.940 4.224 8.164 1.00 29.89 H new ATOM 0 HB2 GLU A 82 32.425 4.155 8.828 1.00 30.37 H new ATOM 0 HB3 GLU A 82 32.486 5.906 8.823 1.00 30.37 H new ATOM 0 HG2 GLU A 82 33.292 5.897 6.464 1.00 31.12 H new ATOM 0 HG3 GLU A 82 33.321 4.145 6.461 1.00 31.12 H new ATOM 1211 N GLU A 83 35.429 7.006 9.628 1.00 27.40 N ATOM 1212 CA GLU A 83 36.045 8.324 9.522 1.00 26.44 C ATOM 1213 C GLU A 83 37.347 8.245 8.731 1.00 24.80 C ATOM 1214 O GLU A 83 37.489 8.881 7.687 1.00 24.59 O ATOM 1215 CB GLU A 83 36.327 8.882 10.918 1.00 26.68 C ATOM 1216 CG GLU A 83 36.401 10.409 10.852 1.00 28.12 C ATOM 1217 CD GLU A 83 36.859 10.967 12.196 1.00 29.86 C ATOM 1218 OE1 GLU A 83 37.008 12.174 12.293 1.00 30.91 O ATOM 1219 OE2 GLU A 83 37.054 10.180 13.107 1.00 30.49 O ATOM 0 H GLU A 83 35.310 6.668 10.583 1.00 27.40 H new ATOM 0 HA GLU A 83 35.355 8.986 8.999 1.00 26.44 H new ATOM 0 HB2 GLU A 83 35.542 8.575 11.609 1.00 26.68 H new ATOM 0 HB3 GLU A 83 37.264 8.478 11.300 1.00 26.68 H new ATOM 0 HG2 GLU A 83 37.093 10.714 10.067 1.00 28.12 H new ATOM 0 HG3 GLU A 83 35.424 10.818 10.593 1.00 28.12 H new ATOM 1226 N GLU A 84 38.294 7.462 9.236 1.00 22.86 N ATOM 1227 CA GLU A 84 39.581 7.309 8.567 1.00 21.10 C ATOM 1228 C GLU A 84 39.388 6.798 7.143 1.00 19.58 C ATOM 1229 O GLU A 84 40.265 6.957 6.293 1.00 18.69 O ATOM 1230 CB GLU A 84 40.461 6.330 9.347 1.00 21.32 C ATOM 1231 CG GLU A 84 41.901 6.422 8.840 1.00 21.26 C ATOM 1232 CD GLU A 84 42.703 7.376 9.718 1.00 20.61 C ATOM 1233 OE1 GLU A 84 43.913 7.416 9.566 1.00 18.73 O ATOM 1234 OE2 GLU A 84 42.096 8.054 10.531 1.00 19.88 O ATOM 0 H GLU A 84 38.197 6.927 10.099 1.00 22.86 H new ATOM 0 HA GLU A 84 40.067 8.284 8.528 1.00 21.10 H new ATOM 0 HB2 GLU A 84 40.424 6.560 10.412 1.00 21.32 H new ATOM 0 HB3 GLU A 84 40.086 5.313 9.227 1.00 21.32 H new ATOM 0 HG2 GLU A 84 42.362 5.434 8.847 1.00 21.26 H new ATOM 0 HG3 GLU A 84 41.910 6.771 7.807 1.00 21.26 H new ATOM 1241 N ILE A 85 38.237 6.185 6.890 1.00 18.05 N ATOM 1242 CA ILE A 85 37.940 5.655 5.564 1.00 17.24 C ATOM 1243 C ILE A 85 37.405 6.755 4.654 1.00 15.64 C ATOM 1244 O ILE A 85 37.474 6.649 3.429 1.00 14.56 O ATOM 1245 CB ILE A 85 36.909 4.530 5.672 1.00 17.25 C ATOM 1246 CG1 ILE A 85 37.620 3.221 6.024 1.00 18.63 C ATOM 1247 CG2 ILE A 85 36.184 4.371 4.334 1.00 19.17 C ATOM 1248 CD1 ILE A 85 36.582 2.160 6.394 1.00 18.98 C ATOM 0 H ILE A 85 37.499 6.043 7.580 1.00 18.05 H new ATOM 0 HA ILE A 85 38.862 5.263 5.134 1.00 17.24 H new ATOM 0 HB ILE A 85 36.186 4.773 6.450 1.00 17.25 H new ATOM 0 HG12 ILE A 85 38.218 2.881 5.178 1.00 18.63 H new ATOM 0 HG13 ILE A 85 38.306 3.380 6.856 1.00 18.63 H new ATOM 0 HG21 ILE A 85 35.449 3.569 4.411 1.00 19.17 H new ATOM 0 HG22 ILE A 85 35.679 5.303 4.081 1.00 19.17 H new ATOM 0 HG23 ILE A 85 36.907 4.127 3.555 1.00 19.17 H new ATOM 0 HD11 ILE A 85 37.088 1.228 6.645 1.00 18.98 H new ATOM 0 HD12 ILE A 85 36.003 2.501 7.252 1.00 18.98 H new ATOM 0 HD13 ILE A 85 35.914 1.994 5.549 1.00 18.98 H new ATOM 1260 N ARG A 86 36.871 7.811 5.259 1.00 14.41 N ATOM 1261 CA ARG A 86 36.326 8.925 4.491 1.00 13.90 C ATOM 1262 C ARG A 86 37.440 9.867 4.047 1.00 12.70 C ATOM 1263 O ARG A 86 37.581 10.162 2.861 1.00 11.99 O ATOM 1264 CB ARG A 86 35.311 9.695 5.337 1.00 14.24 C ATOM 1265 CG ARG A 86 34.489 10.618 4.434 1.00 17.61 C ATOM 1266 CD ARG A 86 33.498 11.414 5.283 1.00 20.77 C ATOM 1267 NE ARG A 86 32.654 12.243 4.430 1.00 24.52 N ATOM 1268 CZ ARG A 86 31.587 11.738 3.820 1.00 25.58 C ATOM 1269 NH1 ARG A 86 30.847 12.500 3.062 1.00 26.77 N ATOM 1270 NH2 ARG A 86 31.279 10.479 3.978 1.00 26.85 N ATOM 0 H ARG A 86 36.804 7.919 6.271 1.00 14.41 H new ATOM 0 HA ARG A 86 35.832 8.524 3.606 1.00 13.90 H new ATOM 0 HB2 ARG A 86 34.654 8.999 5.858 1.00 14.24 H new ATOM 0 HB3 ARG A 86 35.826 10.279 6.100 1.00 14.24 H new ATOM 0 HG2 ARG A 86 35.149 11.297 3.894 1.00 17.61 H new ATOM 0 HG3 ARG A 86 33.955 10.031 3.687 1.00 17.61 H new ATOM 0 HD2 ARG A 86 32.879 10.733 5.867 1.00 20.77 H new ATOM 0 HD3 ARG A 86 34.038 12.041 5.992 1.00 20.77 H new ATOM 0 HE ARG A 86 32.887 13.227 4.299 1.00 24.52 H new ATOM 0 HH11 ARG A 86 31.088 13.483 2.938 1.00 26.77 H new ATOM 0 HH12 ARG A 86 30.028 12.112 2.594 1.00 26.77 H new ATOM 0 HH21 ARG A 86 31.858 9.883 4.570 1.00 26.85 H new ATOM 0 HH22 ARG A 86 30.460 10.092 3.510 1.00 26.85 H new ATOM 1284 N GLU A 87 38.230 10.337 5.008 1.00 11.87 N ATOM 1285 CA GLU A 87 39.329 11.246 4.704 1.00 11.27 C ATOM 1286 C GLU A 87 40.318 10.590 3.747 1.00 10.38 C ATOM 1287 O GLU A 87 40.529 11.068 2.633 1.00 9.38 O ATOM 1288 CB GLU A 87 40.050 11.641 5.994 1.00 11.16 C ATOM 1289 CG GLU A 87 40.454 13.114 5.923 1.00 12.67 C ATOM 1290 CD GLU A 87 39.352 13.987 6.514 1.00 13.78 C ATOM 1291 OE1 GLU A 87 39.228 14.008 7.728 1.00 15.83 O ATOM 1292 OE2 GLU A 87 38.649 14.621 5.745 1.00 16.48 O ATOM 0 H GLU A 87 38.131 10.105 5.996 1.00 11.87 H new ATOM 0 HA GLU A 87 38.919 12.137 4.229 1.00 11.27 H new ATOM 0 HB2 GLU A 87 39.400 11.472 6.853 1.00 11.16 H new ATOM 0 HB3 GLU A 87 40.933 11.017 6.135 1.00 11.16 H new ATOM 0 HG2 GLU A 87 41.385 13.271 6.468 1.00 12.67 H new ATOM 0 HG3 GLU A 87 40.639 13.399 4.887 1.00 12.67 H new ATOM 1299 N ALA A 88 40.922 9.492 4.189 1.00 9.34 N ATOM 1300 CA ALA A 88 41.889 8.778 3.363 1.00 9.01 C ATOM 1301 C ALA A 88 41.350 8.589 1.949 1.00 8.92 C ATOM 1302 O ALA A 88 42.101 8.645 0.975 1.00 8.79 O ATOM 1303 CB ALA A 88 42.196 7.413 3.981 1.00 9.91 C ATOM 0 H ALA A 88 40.761 9.079 5.108 1.00 9.34 H new ATOM 0 HA ALA A 88 42.804 9.369 3.315 1.00 9.01 H new ATOM 0 HB1 ALA A 88 42.919 6.886 3.358 1.00 9.91 H new ATOM 0 HB2 ALA A 88 42.610 7.551 4.980 1.00 9.91 H new ATOM 0 HB3 ALA A 88 41.278 6.828 4.046 1.00 9.91 H new ATOM 1309 N PHE A 89 40.044 8.363 1.843 1.00 7.54 N ATOM 1310 CA PHE A 89 39.416 8.167 0.541 1.00 7.23 C ATOM 1311 C PHE A 89 39.407 9.469 -0.253 1.00 8.19 C ATOM 1312 O PHE A 89 39.530 9.461 -1.478 1.00 8.53 O ATOM 1313 CB PHE A 89 37.982 7.668 0.723 1.00 7.14 C ATOM 1314 CG PHE A 89 37.356 7.435 -0.631 1.00 5.05 C ATOM 1315 CD1 PHE A 89 37.249 6.135 -1.138 1.00 4.80 C ATOM 1316 CD2 PHE A 89 36.885 8.520 -1.380 1.00 5.56 C ATOM 1317 CE1 PHE A 89 36.670 5.919 -2.394 1.00 7.76 C ATOM 1318 CE2 PHE A 89 36.306 8.304 -2.636 1.00 2.16 C ATOM 1319 CZ PHE A 89 36.199 7.004 -3.143 1.00 6.19 C ATOM 0 H PHE A 89 39.405 8.311 2.636 1.00 7.54 H new ATOM 0 HA PHE A 89 39.992 7.424 -0.010 1.00 7.23 H new ATOM 0 HB2 PHE A 89 37.977 6.744 1.302 1.00 7.14 H new ATOM 0 HB3 PHE A 89 37.400 8.399 1.284 1.00 7.14 H new ATOM 0 HD1 PHE A 89 37.613 5.298 -0.560 1.00 4.80 H new ATOM 0 HD2 PHE A 89 36.968 9.523 -0.989 1.00 5.56 H new ATOM 0 HE1 PHE A 89 36.587 4.916 -2.785 1.00 7.76 H new ATOM 0 HE2 PHE A 89 35.942 9.141 -3.214 1.00 2.16 H new ATOM 0 HZ PHE A 89 35.753 6.838 -4.112 1.00 6.19 H new ATOM 1329 N ARG A 90 39.260 10.586 0.452 1.00 8.03 N ATOM 1330 CA ARG A 90 39.235 11.891 -0.199 1.00 8.76 C ATOM 1331 C ARG A 90 40.635 12.291 -0.654 1.00 7.43 C ATOM 1332 O ARG A 90 40.826 12.744 -1.783 1.00 6.92 O ATOM 1333 CB ARG A 90 38.690 12.946 0.766 1.00 8.74 C ATOM 1334 CG ARG A 90 37.186 12.736 0.954 1.00 13.55 C ATOM 1335 CD ARG A 90 36.718 13.487 2.202 1.00 14.45 C ATOM 1336 NE ARG A 90 36.528 14.901 1.899 1.00 17.08 N ATOM 1337 CZ ARG A 90 37.502 15.783 2.099 1.00 17.02 C ATOM 1338 NH1 ARG A 90 37.308 17.043 1.820 1.00 17.58 N ATOM 1339 NH2 ARG A 90 38.652 15.389 2.573 1.00 17.03 N ATOM 0 H ARG A 90 39.157 10.615 1.466 1.00 8.03 H new ATOM 0 HA ARG A 90 38.586 11.827 -1.072 1.00 8.76 H new ATOM 0 HB2 ARG A 90 39.201 12.875 1.726 1.00 8.74 H new ATOM 0 HB3 ARG A 90 38.883 13.945 0.376 1.00 8.74 H new ATOM 0 HG2 ARG A 90 36.646 13.094 0.077 1.00 13.55 H new ATOM 0 HG3 ARG A 90 36.966 11.673 1.052 1.00 13.55 H new ATOM 0 HD2 ARG A 90 35.784 13.057 2.565 1.00 14.45 H new ATOM 0 HD3 ARG A 90 37.452 13.374 3.000 1.00 14.45 H new ATOM 0 HE ARG A 90 35.633 15.218 1.527 1.00 17.08 H new ATOM 0 HH11 ARG A 90 36.409 17.351 1.449 1.00 17.58 H new ATOM 0 HH12 ARG A 90 38.055 17.720 1.973 1.00 17.58 H new ATOM 0 HH21 ARG A 90 38.804 14.404 2.790 1.00 17.03 H new ATOM 0 HH22 ARG A 90 39.399 16.066 2.726 1.00 17.03 H new ATOM 1353 N VAL A 91 41.611 12.123 0.232 1.00 7.00 N ATOM 1354 CA VAL A 91 42.990 12.473 -0.088 1.00 6.43 C ATOM 1355 C VAL A 91 43.403 11.858 -1.422 1.00 6.80 C ATOM 1356 O VAL A 91 44.389 12.275 -2.030 1.00 5.87 O ATOM 1357 CB VAL A 91 43.925 11.977 1.015 1.00 6.46 C ATOM 1358 CG1 VAL A 91 45.370 12.012 0.515 1.00 7.40 C ATOM 1359 CG2 VAL A 91 43.790 12.882 2.242 1.00 7.82 C ATOM 0 H VAL A 91 41.474 11.749 1.171 1.00 7.00 H new ATOM 0 HA VAL A 91 43.061 13.558 -0.163 1.00 6.43 H new ATOM 0 HB VAL A 91 43.658 10.955 1.284 1.00 6.46 H new ATOM 0 HG11 VAL A 91 46.036 11.658 1.302 1.00 7.40 H new ATOM 0 HG12 VAL A 91 45.468 11.369 -0.360 1.00 7.40 H new ATOM 0 HG13 VAL A 91 45.637 13.034 0.246 1.00 7.40 H new ATOM 0 HG21 VAL A 91 44.456 12.529 3.029 1.00 7.82 H new ATOM 0 HG22 VAL A 91 44.057 13.904 1.972 1.00 7.82 H new ATOM 0 HG23 VAL A 91 42.761 12.858 2.600 1.00 7.82 H new ATOM 1369 N PHE A 92 42.641 10.867 -1.873 0.50 6.77 N ATOM 1370 CA PHE A 92 42.937 10.204 -3.138 0.50 7.12 C ATOM 1371 C PHE A 92 42.120 10.822 -4.269 0.50 7.91 C ATOM 1372 O PHE A 92 42.633 11.055 -5.363 0.50 9.11 O ATOM 1373 CB PHE A 92 42.620 8.711 -3.033 0.50 7.14 C ATOM 1374 CG PHE A 92 43.864 7.960 -2.623 0.50 4.87 C ATOM 1375 CD1 PHE A 92 44.916 7.798 -3.532 0.50 6.96 C ATOM 1376 CD2 PHE A 92 43.965 7.425 -1.333 0.50 4.32 C ATOM 1377 CE1 PHE A 92 46.069 7.101 -3.151 0.50 5.48 C ATOM 1378 CE2 PHE A 92 45.118 6.728 -0.952 0.50 6.74 C ATOM 1379 CZ PHE A 92 46.171 6.566 -1.862 0.50 6.55 C ATOM 0 H PHE A 92 41.820 10.507 -1.386 0.50 6.77 H new ATOM 0 HA PHE A 92 43.997 10.334 -3.356 0.50 7.12 H new ATOM 0 HB2 PHE A 92 41.827 8.547 -2.304 0.50 7.14 H new ATOM 0 HB3 PHE A 92 42.256 8.337 -3.990 0.50 7.14 H new ATOM 0 HD1 PHE A 92 44.838 8.211 -4.527 0.50 6.96 H new ATOM 0 HD2 PHE A 92 43.153 7.550 -0.632 0.50 4.32 H new ATOM 0 HE1 PHE A 92 46.880 6.976 -3.853 0.50 5.48 H new ATOM 0 HE2 PHE A 92 45.196 6.315 0.043 0.50 6.74 H new ATOM 0 HZ PHE A 92 47.061 6.029 -1.569 0.50 6.55 H new ATOM 1389 N ASP A 93 40.846 11.083 -3.996 1.00 8.87 N ATOM 1390 CA ASP A 93 39.965 11.674 -4.997 1.00 8.42 C ATOM 1391 C ASP A 93 39.849 13.180 -4.787 1.00 8.51 C ATOM 1392 O ASP A 93 38.799 13.681 -4.389 1.00 8.68 O ATOM 1393 CB ASP A 93 38.577 11.038 -4.912 1.00 9.10 C ATOM 1394 CG ASP A 93 37.748 11.430 -6.130 1.00 10.79 C ATOM 1395 OD1 ASP A 93 36.533 11.357 -6.045 1.00 11.11 O ATOM 1396 OD2 ASP A 93 38.340 11.799 -7.131 1.00 7.32 O ATOM 0 H ASP A 93 40.403 10.896 -3.097 1.00 8.87 H new ATOM 0 HA ASP A 93 40.391 11.487 -5.983 1.00 8.42 H new ATOM 0 HB2 ASP A 93 38.668 9.953 -4.858 1.00 9.10 H new ATOM 0 HB3 ASP A 93 38.075 11.362 -4.000 1.00 9.10 H new ATOM 1401 N LYS A 94 40.938 13.895 -5.050 1.00 9.41 N ATOM 1402 CA LYS A 94 40.954 15.344 -4.882 1.00 9.18 C ATOM 1403 C LYS A 94 39.721 15.984 -5.518 1.00 9.05 C ATOM 1404 O LYS A 94 39.376 17.124 -5.207 1.00 7.14 O ATOM 1405 CB LYS A 94 42.216 15.928 -5.518 1.00 9.58 C ATOM 1406 CG LYS A 94 43.363 14.923 -5.394 1.00 10.67 C ATOM 1407 CD LYS A 94 44.676 15.592 -5.805 1.00 11.93 C ATOM 1408 CE LYS A 94 44.598 16.011 -7.274 1.00 14.25 C ATOM 1409 NZ LYS A 94 44.066 17.400 -7.367 1.00 14.57 N ATOM 0 H LYS A 94 41.818 13.497 -5.379 1.00 9.41 H new ATOM 0 HA LYS A 94 40.946 15.561 -3.814 1.00 9.18 H new ATOM 0 HB2 LYS A 94 42.033 16.160 -6.567 1.00 9.58 H new ATOM 0 HB3 LYS A 94 42.484 16.864 -5.027 1.00 9.58 H new ATOM 0 HG2 LYS A 94 43.433 14.560 -4.369 1.00 10.67 H new ATOM 0 HG3 LYS A 94 43.171 14.056 -6.026 1.00 10.67 H new ATOM 0 HD2 LYS A 94 44.865 16.463 -5.177 1.00 11.93 H new ATOM 0 HD3 LYS A 94 45.509 14.905 -5.656 1.00 11.93 H new ATOM 0 HE2 LYS A 94 45.586 15.957 -7.732 1.00 14.25 H new ATOM 0 HE3 LYS A 94 43.954 15.326 -7.825 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 43.169 17.394 -7.893 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 43.903 17.774 -6.410 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 44.754 18.003 -7.862 1.00 14.57 H new ATOM 1423 N ASP A 95 39.064 15.250 -6.411 1.00 7.02 N ATOM 1424 CA ASP A 95 37.876 15.768 -7.083 1.00 7.13 C ATOM 1425 C ASP A 95 36.676 15.761 -6.140 1.00 6.43 C ATOM 1426 O ASP A 95 35.635 16.347 -6.438 1.00 4.43 O ATOM 1427 CB ASP A 95 37.563 14.919 -8.316 1.00 6.49 C ATOM 1428 CG ASP A 95 38.858 14.466 -8.980 1.00 8.86 C ATOM 1429 OD1 ASP A 95 39.324 13.387 -8.652 1.00 6.70 O ATOM 1430 OD2 ASP A 95 39.366 15.205 -9.808 1.00 10.20 O ATOM 0 H ASP A 95 39.330 14.304 -6.684 1.00 7.02 H new ATOM 0 HA ASP A 95 38.075 16.795 -7.388 1.00 7.13 H new ATOM 0 HB2 ASP A 95 36.969 14.051 -8.029 1.00 6.49 H new ATOM 0 HB3 ASP A 95 36.965 15.495 -9.022 1.00 6.49 H new ATOM 1435 N GLY A 96 36.830 15.093 -5.003 1.00 5.66 N ATOM 1436 CA GLY A 96 35.755 15.014 -4.021 1.00 5.97 C ATOM 1437 C GLY A 96 34.518 14.352 -4.618 1.00 6.08 C ATOM 1438 O GLY A 96 33.449 14.347 -4.007 1.00 6.24 O ATOM 0 H GLY A 96 37.683 14.601 -4.739 1.00 5.66 H new ATOM 0 HA2 GLY A 96 36.092 14.448 -3.153 1.00 5.97 H new ATOM 0 HA3 GLY A 96 35.503 16.015 -3.671 1.00 5.97 H new ATOM 1442 N ASN A 97 34.671 13.791 -5.813 1.00 6.39 N ATOM 1443 CA ASN A 97 33.557 13.126 -6.481 1.00 5.87 C ATOM 1444 C ASN A 97 33.180 11.847 -5.742 1.00 5.88 C ATOM 1445 O ASN A 97 32.291 11.110 -6.169 1.00 5.75 O ATOM 1446 CB ASN A 97 33.938 12.791 -7.925 1.00 5.90 C ATOM 1447 CG ASN A 97 34.096 14.074 -8.733 1.00 4.39 C ATOM 1448 OD1 ASN A 97 35.147 14.307 -9.331 1.00 7.56 O ATOM 1449 ND2 ASN A 97 33.109 14.926 -8.789 1.00 7.07 N ATOM 0 H ASN A 97 35.547 13.783 -6.335 1.00 6.39 H new ATOM 0 HA ASN A 97 32.700 13.800 -6.480 1.00 5.87 H new ATOM 0 HB2 ASN A 97 34.869 12.224 -7.942 1.00 5.90 H new ATOM 0 HB3 ASN A 97 33.172 12.160 -8.375 1.00 5.90 H new ATOM 0 HD21 ASN A 97 33.208 15.786 -9.329 1.00 7.07 H new ATOM 0 HD22 ASN A 97 32.239 14.732 -8.293 1.00 7.07 H new ATOM 1456 N GLY A 98 33.862 11.591 -4.631 1.00 6.14 N ATOM 1457 CA GLY A 98 33.593 10.399 -3.836 1.00 6.32 C ATOM 1458 C GLY A 98 33.936 9.134 -4.616 1.00 7.08 C ATOM 1459 O GLY A 98 33.617 8.025 -4.187 1.00 6.67 O ATOM 0 H GLY A 98 34.601 12.189 -4.262 1.00 6.14 H new ATOM 0 HA2 GLY A 98 34.176 10.432 -2.915 1.00 6.32 H new ATOM 0 HA3 GLY A 98 32.542 10.379 -3.548 1.00 6.32 H new ATOM 1463 N TYR A 99 34.586 9.308 -5.762 0.50 7.47 N ATOM 1464 CA TYR A 99 34.966 8.170 -6.592 0.50 7.60 C ATOM 1465 C TYR A 99 36.445 8.241 -6.959 0.50 7.45 C ATOM 1466 O TYR A 99 36.994 9.325 -7.159 0.50 7.71 O ATOM 1467 CB TYR A 99 34.123 8.152 -7.869 0.50 7.79 C ATOM 1468 CG TYR A 99 32.759 8.731 -7.581 0.50 7.27 C ATOM 1469 CD1 TYR A 99 32.260 9.773 -8.371 0.50 9.00 C ATOM 1470 CD2 TYR A 99 31.992 8.225 -6.524 0.50 6.58 C ATOM 1471 CE1 TYR A 99 30.995 10.310 -8.104 0.50 5.79 C ATOM 1472 CE2 TYR A 99 30.727 8.761 -6.257 0.50 6.90 C ATOM 1473 CZ TYR A 99 30.229 9.804 -7.047 0.50 6.97 C ATOM 1474 OH TYR A 99 28.982 10.334 -6.784 0.50 5.02 O ATOM 0 H TYR A 99 34.859 10.217 -6.135 0.50 7.47 H new ATOM 0 HA TYR A 99 34.789 7.256 -6.025 0.50 7.60 H new ATOM 0 HB2 TYR A 99 34.617 8.729 -8.651 0.50 7.79 H new ATOM 0 HB3 TYR A 99 34.026 7.131 -8.239 0.50 7.79 H new ATOM 0 HD1 TYR A 99 32.851 10.163 -9.187 0.50 9.00 H new ATOM 0 HD2 TYR A 99 32.377 7.421 -5.915 0.50 6.58 H new ATOM 0 HE1 TYR A 99 30.610 11.114 -8.713 0.50 5.79 H new ATOM 0 HE2 TYR A 99 30.136 8.370 -5.442 0.50 6.90 H new ATOM 0 HH TYR A 99 28.584 9.869 -6.019 0.50 5.02 H new ATOM 1484 N ILE A 100 37.084 7.079 -7.047 1.00 6.94 N ATOM 1485 CA ILE A 100 38.500 7.019 -7.392 1.00 6.30 C ATOM 1486 C ILE A 100 38.709 6.171 -8.642 1.00 6.51 C ATOM 1487 O ILE A 100 38.570 4.948 -8.604 1.00 6.57 O ATOM 1488 CB ILE A 100 39.296 6.422 -6.230 1.00 5.54 C ATOM 1489 CG1 ILE A 100 39.330 7.419 -5.070 1.00 9.03 C ATOM 1490 CG2 ILE A 100 40.726 6.127 -6.689 1.00 4.76 C ATOM 1491 CD1 ILE A 100 39.858 6.724 -3.814 1.00 9.29 C ATOM 0 H ILE A 100 36.647 6.171 -6.885 1.00 6.94 H new ATOM 0 HA ILE A 100 38.851 8.032 -7.589 1.00 6.30 H new ATOM 0 HB ILE A 100 38.821 5.497 -5.902 1.00 5.54 H new ATOM 0 HG12 ILE A 100 39.966 8.267 -5.324 1.00 9.03 H new ATOM 0 HG13 ILE A 100 38.331 7.814 -4.887 1.00 9.03 H new ATOM 0 HG21 ILE A 100 41.293 5.702 -5.861 1.00 4.76 H new ATOM 0 HG22 ILE A 100 40.704 5.417 -7.516 1.00 4.76 H new ATOM 0 HG23 ILE A 100 41.201 7.052 -7.017 1.00 4.76 H new ATOM 0 HD11 ILE A 100 39.882 7.435 -2.988 1.00 9.29 H new ATOM 0 HD12 ILE A 100 39.204 5.891 -3.557 1.00 9.29 H new ATOM 0 HD13 ILE A 100 40.865 6.351 -4.001 1.00 9.29 H new ATOM 1503 N SER A 101 39.043 6.827 -9.749 1.00 6.74 N ATOM 1504 CA SER A 101 39.267 6.119 -11.004 1.00 4.65 C ATOM 1505 C SER A 101 40.733 5.720 -11.144 1.00 3.97 C ATOM 1506 O SER A 101 41.621 6.382 -10.607 1.00 7.02 O ATOM 1507 CB SER A 101 38.864 7.006 -12.182 1.00 3.29 C ATOM 1508 OG SER A 101 40.035 7.473 -12.840 1.00 2.08 O ATOM 0 H SER A 101 39.164 7.838 -9.803 1.00 6.74 H new ATOM 0 HA SER A 101 38.657 5.216 -11.002 1.00 4.65 H new ATOM 0 HB2 SER A 101 38.241 6.445 -12.878 1.00 3.29 H new ATOM 0 HB3 SER A 101 38.269 7.849 -11.831 1.00 3.29 H new ATOM 0 HG SER A 101 39.780 8.041 -13.597 1.00 2.08 H new ATOM 1514 N ALA A 102 40.976 4.633 -11.869 1.00 4.02 N ATOM 1515 CA ALA A 102 42.338 4.152 -12.074 1.00 4.82 C ATOM 1516 C ALA A 102 43.261 5.302 -12.461 1.00 5.07 C ATOM 1517 O ALA A 102 44.412 5.360 -12.027 1.00 6.41 O ATOM 1518 CB ALA A 102 42.355 3.089 -13.174 1.00 4.55 C ATOM 0 H ALA A 102 40.254 4.072 -12.321 1.00 4.02 H new ATOM 0 HA ALA A 102 42.694 3.716 -11.141 1.00 4.82 H new ATOM 0 HB1 ALA A 102 43.375 2.734 -13.322 1.00 4.55 H new ATOM 0 HB2 ALA A 102 41.719 2.253 -12.882 1.00 4.55 H new ATOM 0 HB3 ALA A 102 41.983 3.521 -14.103 1.00 4.55 H new ATOM 1524 N ALA A 103 42.750 6.216 -13.280 1.00 4.46 N ATOM 1525 CA ALA A 103 43.539 7.361 -13.719 1.00 3.90 C ATOM 1526 C ALA A 103 44.119 8.105 -12.521 1.00 3.42 C ATOM 1527 O ALA A 103 45.336 8.232 -12.386 1.00 5.01 O ATOM 1528 CB ALA A 103 42.667 8.312 -14.540 1.00 4.16 C ATOM 0 H ALA A 103 41.800 6.187 -13.651 1.00 4.46 H new ATOM 0 HA ALA A 103 44.360 6.997 -14.337 1.00 3.90 H new ATOM 0 HB1 ALA A 103 43.264 9.165 -14.864 1.00 4.16 H new ATOM 0 HB2 ALA A 103 42.279 7.788 -15.413 1.00 4.16 H new ATOM 0 HB3 ALA A 103 41.836 8.663 -13.929 1.00 4.16 H new ATOM 1534 N GLU A 104 43.240 8.596 -11.653 1.00 2.38 N ATOM 1535 CA GLU A 104 43.677 9.327 -10.469 1.00 2.94 C ATOM 1536 C GLU A 104 44.541 8.440 -9.579 1.00 3.92 C ATOM 1537 O GLU A 104 45.646 8.820 -9.193 1.00 4.76 O ATOM 1538 CB GLU A 104 42.462 9.817 -9.679 1.00 4.89 C ATOM 1539 CG GLU A 104 41.364 10.256 -10.650 1.00 2.54 C ATOM 1540 CD GLU A 104 40.257 10.981 -9.892 1.00 5.28 C ATOM 1541 OE1 GLU A 104 39.746 11.956 -10.418 1.00 6.84 O ATOM 1542 OE2 GLU A 104 39.937 10.550 -8.796 1.00 5.84 O ATOM 0 H GLU A 104 42.229 8.502 -11.746 1.00 2.38 H new ATOM 0 HA GLU A 104 44.269 10.183 -10.793 1.00 2.94 H new ATOM 0 HB2 GLU A 104 42.092 9.023 -9.031 1.00 4.89 H new ATOM 0 HB3 GLU A 104 42.746 10.649 -9.034 1.00 4.89 H new ATOM 0 HG2 GLU A 104 41.783 10.912 -11.413 1.00 2.54 H new ATOM 0 HG3 GLU A 104 40.954 9.387 -11.166 1.00 2.54 H new ATOM 1549 N LEU A 105 44.029 7.257 -9.256 1.00 4.80 N ATOM 1550 CA LEU A 105 44.763 6.324 -8.409 1.00 3.86 C ATOM 1551 C LEU A 105 46.204 6.182 -8.891 1.00 4.38 C ATOM 1552 O LEU A 105 47.141 6.216 -8.093 1.00 3.99 O ATOM 1553 CB LEU A 105 44.080 4.955 -8.427 1.00 3.53 C ATOM 1554 CG LEU A 105 44.637 4.092 -7.293 1.00 4.12 C ATOM 1555 CD1 LEU A 105 43.732 4.214 -6.066 1.00 4.73 C ATOM 1556 CD2 LEU A 105 44.688 2.630 -7.744 1.00 4.99 C ATOM 0 H LEU A 105 43.116 6.923 -9.565 1.00 4.80 H new ATOM 0 HA LEU A 105 44.769 6.714 -7.391 1.00 3.86 H new ATOM 0 HB2 LEU A 105 43.002 5.073 -8.313 1.00 3.53 H new ATOM 0 HB3 LEU A 105 44.247 4.466 -9.387 1.00 3.53 H new ATOM 0 HG LEU A 105 45.641 4.431 -7.039 1.00 4.12 H new ATOM 0 HD11 LEU A 105 44.129 3.599 -5.258 1.00 4.73 H new ATOM 0 HD12 LEU A 105 43.693 5.255 -5.744 1.00 4.73 H new ATOM 0 HD13 LEU A 105 42.728 3.875 -6.320 1.00 4.73 H new ATOM 0 HD21 LEU A 105 45.085 2.014 -6.937 1.00 4.99 H new ATOM 0 HD22 LEU A 105 43.683 2.292 -7.998 1.00 4.99 H new ATOM 0 HD23 LEU A 105 45.332 2.541 -8.619 1.00 4.99 H new ATOM 1568 N ARG A 106 46.372 6.023 -10.199 1.00 3.11 N ATOM 1569 CA ARG A 106 47.704 5.876 -10.776 1.00 5.25 C ATOM 1570 C ARG A 106 48.466 7.196 -10.707 1.00 4.62 C ATOM 1571 O ARG A 106 49.687 7.227 -10.861 1.00 4.29 O ATOM 1572 CB ARG A 106 47.594 5.423 -12.233 1.00 5.02 C ATOM 1573 CG ARG A 106 48.968 4.966 -12.730 1.00 5.93 C ATOM 1574 CD ARG A 106 48.933 4.793 -14.251 1.00 8.89 C ATOM 1575 NE ARG A 106 49.878 5.706 -14.883 1.00 11.71 N ATOM 1576 CZ ARG A 106 51.187 5.587 -14.686 1.00 13.93 C ATOM 1577 NH1 ARG A 106 52.012 6.416 -15.263 1.00 15.02 N ATOM 1578 NH2 ARG A 106 51.646 4.640 -13.913 1.00 15.24 N ATOM 0 H ARG A 106 45.609 5.993 -10.876 1.00 3.11 H new ATOM 0 HA ARG A 106 48.248 5.125 -10.203 1.00 5.25 H new ATOM 0 HB2 ARG A 106 46.875 4.608 -12.318 1.00 5.02 H new ATOM 0 HB3 ARG A 106 47.225 6.240 -12.852 1.00 5.02 H new ATOM 0 HG2 ARG A 106 49.727 5.698 -12.455 1.00 5.93 H new ATOM 0 HG3 ARG A 106 49.244 4.025 -12.253 1.00 5.93 H new ATOM 0 HD2 ARG A 106 49.179 3.764 -14.513 1.00 8.89 H new ATOM 0 HD3 ARG A 106 47.927 4.985 -14.623 1.00 8.89 H new ATOM 0 HE ARG A 106 49.528 6.450 -15.487 1.00 11.71 H new ATOM 0 HH11 ARG A 106 51.653 7.156 -15.866 1.00 15.02 H new ATOM 0 HH12 ARG A 106 53.016 6.324 -15.111 1.00 15.02 H new ATOM 0 HH21 ARG A 106 51.000 3.993 -13.461 1.00 15.24 H new ATOM 0 HH22 ARG A 106 52.650 4.548 -13.761 1.00 15.24 H new ATOM 1592 N HIS A 107 47.738 8.283 -10.476 1.00 5.92 N ATOM 1593 CA HIS A 107 48.357 9.601 -10.390 1.00 8.12 C ATOM 1594 C HIS A 107 48.975 9.815 -9.011 1.00 8.85 C ATOM 1595 O HIS A 107 50.124 10.241 -8.895 1.00 9.30 O ATOM 1596 CB HIS A 107 47.314 10.687 -10.657 1.00 10.37 C ATOM 1597 CG HIS A 107 47.997 12.022 -10.775 1.00 10.94 C ATOM 1598 ND1 HIS A 107 48.742 12.564 -9.739 1.00 14.82 N ATOM 1599 CD2 HIS A 107 48.059 12.934 -11.799 1.00 14.65 C ATOM 1600 CE1 HIS A 107 49.215 13.752 -10.159 1.00 15.69 C ATOM 1601 NE2 HIS A 107 48.828 14.026 -11.408 1.00 15.65 N ATOM 0 H HIS A 107 46.726 8.279 -10.346 1.00 5.92 H new ATOM 0 HA HIS A 107 49.144 9.661 -11.142 1.00 8.12 H new ATOM 0 HB2 HIS A 107 46.768 10.464 -11.574 1.00 10.37 H new ATOM 0 HB3 HIS A 107 46.583 10.711 -9.848 1.00 10.37 H new ATOM 0 HD2 HIS A 107 47.583 12.821 -12.762 1.00 14.65 H new ATOM 0 HE1 HIS A 107 49.832 14.404 -9.559 1.00 15.69 H new ATOM 0 HE2 HIS A 107 49.049 14.857 -11.957 1.00 15.65 H new ATOM 1610 N VAL A 108 48.204 9.518 -7.970 1.00 9.44 N ATOM 1611 CA VAL A 108 48.687 9.683 -6.604 1.00 9.72 C ATOM 1612 C VAL A 108 49.654 8.562 -6.237 1.00 9.70 C ATOM 1613 O VAL A 108 50.518 8.731 -5.377 1.00 10.80 O ATOM 1614 CB VAL A 108 47.508 9.682 -5.629 1.00 9.77 C ATOM 1615 CG1 VAL A 108 48.010 10.003 -4.220 1.00 8.84 C ATOM 1616 CG2 VAL A 108 46.490 10.740 -6.061 1.00 12.28 C ATOM 0 H VAL A 108 47.250 9.165 -8.045 1.00 9.44 H new ATOM 0 HA VAL A 108 49.212 10.636 -6.538 1.00 9.72 H new ATOM 0 HB VAL A 108 47.036 8.700 -5.631 1.00 9.77 H new ATOM 0 HG11 VAL A 108 47.170 10.002 -3.525 1.00 8.84 H new ATOM 0 HG12 VAL A 108 48.736 9.250 -3.912 1.00 8.84 H new ATOM 0 HG13 VAL A 108 48.482 10.985 -4.217 1.00 8.84 H new ATOM 0 HG21 VAL A 108 45.649 10.741 -5.367 1.00 12.28 H new ATOM 0 HG22 VAL A 108 46.963 11.722 -6.059 1.00 12.28 H new ATOM 0 HG23 VAL A 108 46.132 10.512 -7.065 1.00 12.28 H new ATOM 1626 N MET A 109 49.501 7.417 -6.894 0.50 9.38 N ATOM 1627 CA MET A 109 50.367 6.274 -6.627 0.50 9.31 C ATOM 1628 C MET A 109 51.717 6.451 -7.316 0.50 9.50 C ATOM 1629 O MET A 109 52.693 5.785 -6.970 0.50 9.53 O ATOM 1630 CB MET A 109 49.703 4.988 -7.125 0.50 8.72 C ATOM 1631 CG MET A 109 48.805 4.418 -6.025 0.50 8.81 C ATOM 1632 SD MET A 109 49.822 3.547 -4.807 0.50 6.87 S ATOM 1633 CE MET A 109 48.505 2.525 -4.103 0.50 6.63 C ATOM 0 H MET A 109 48.792 7.256 -7.609 0.50 9.38 H new ATOM 0 HA MET A 109 50.527 6.207 -5.551 0.50 9.31 H new ATOM 0 HB2 MET A 109 49.115 5.193 -8.020 0.50 8.72 H new ATOM 0 HB3 MET A 109 50.463 4.258 -7.403 0.50 8.72 H new ATOM 0 HG2 MET A 109 48.249 5.221 -5.542 0.50 8.81 H new ATOM 0 HG3 MET A 109 48.072 3.737 -6.456 0.50 8.81 H new ATOM 0 HE1 MET A 109 48.916 1.894 -3.315 0.50 6.63 H new ATOM 0 HE2 MET A 109 47.729 3.167 -3.686 0.50 6.63 H new ATOM 0 HE3 MET A 109 48.075 1.897 -4.883 0.50 6.63 H new ATOM 1643 N THR A 110 51.764 7.351 -8.292 1.00 10.17 N ATOM 1644 CA THR A 110 53.000 7.606 -9.024 1.00 11.15 C ATOM 1645 C THR A 110 53.894 8.569 -8.249 1.00 11.87 C ATOM 1646 O THR A 110 55.111 8.393 -8.195 1.00 11.30 O ATOM 1647 CB THR A 110 52.681 8.197 -10.399 1.00 11.33 C ATOM 1648 OG1 THR A 110 51.897 7.272 -11.139 1.00 9.45 O ATOM 1649 CG2 THR A 110 53.983 8.481 -11.149 1.00 11.67 C ATOM 0 H THR A 110 50.968 7.912 -8.593 1.00 10.17 H new ATOM 0 HA THR A 110 53.527 6.660 -9.149 1.00 11.15 H new ATOM 0 HB THR A 110 52.126 9.127 -10.276 1.00 11.33 H new ATOM 0 HG1 THR A 110 50.946 7.463 -10.999 1.00 9.45 H new ATOM 0 HG21 THR A 110 53.754 8.902 -12.128 1.00 11.67 H new ATOM 0 HG22 THR A 110 54.583 9.191 -10.580 1.00 11.67 H new ATOM 0 HG23 THR A 110 54.541 7.553 -11.274 1.00 11.67 H new ATOM 1657 N ASN A 111 53.283 9.586 -7.650 1.00 13.42 N ATOM 1658 CA ASN A 111 54.035 10.570 -6.881 1.00 14.75 C ATOM 1659 C ASN A 111 54.428 9.999 -5.522 1.00 15.38 C ATOM 1660 O ASN A 111 55.328 10.514 -4.858 1.00 14.61 O ATOM 1661 CB ASN A 111 53.195 11.833 -6.682 1.00 15.43 C ATOM 1662 CG ASN A 111 54.059 12.948 -6.105 1.00 16.39 C ATOM 1663 OD1 ASN A 111 55.273 12.790 -5.973 1.00 19.90 O ATOM 1664 ND2 ASN A 111 53.504 14.074 -5.749 1.00 21.65 N ATOM 0 H ASN A 111 52.277 9.750 -7.682 1.00 13.42 H new ATOM 0 HA ASN A 111 54.940 10.821 -7.434 1.00 14.75 H new ATOM 0 HB2 ASN A 111 52.767 12.149 -7.633 1.00 15.43 H new ATOM 0 HB3 ASN A 111 52.362 11.624 -6.011 1.00 15.43 H new ATOM 0 HD21 ASN A 111 54.076 14.824 -5.361 1.00 21.65 H new ATOM 0 HD22 ASN A 111 52.498 14.204 -5.859 1.00 21.65 H new ATOM 1671 N LEU A 112 53.748 8.933 -5.115 1.00 15.51 N ATOM 1672 CA LEU A 112 54.035 8.300 -3.833 1.00 17.09 C ATOM 1673 C LEU A 112 55.529 8.033 -3.690 1.00 17.64 C ATOM 1674 O LEU A 112 56.054 7.966 -2.578 1.00 19.20 O ATOM 1675 CB LEU A 112 53.265 6.983 -3.718 1.00 17.55 C ATOM 1676 CG LEU A 112 52.642 6.875 -2.325 1.00 18.70 C ATOM 1677 CD1 LEU A 112 53.738 6.994 -1.264 1.00 19.41 C ATOM 1678 CD2 LEU A 112 51.625 8.002 -2.134 1.00 19.55 C ATOM 0 H LEU A 112 53.000 8.492 -5.649 1.00 15.51 H new ATOM 0 HA LEU A 112 53.721 8.975 -3.037 1.00 17.09 H new ATOM 0 HB2 LEU A 112 52.487 6.937 -4.480 1.00 17.55 H new ATOM 0 HB3 LEU A 112 53.935 6.141 -3.894 1.00 17.55 H new ATOM 0 HG LEU A 112 52.142 5.911 -2.224 1.00 18.70 H new ATOM 0 HD11 LEU A 112 53.294 6.917 -0.272 1.00 19.41 H new ATOM 0 HD12 LEU A 112 54.464 6.193 -1.400 1.00 19.41 H new ATOM 0 HD13 LEU A 112 54.238 7.957 -1.364 1.00 19.41 H new ATOM 0 HD21 LEU A 112 51.180 7.926 -1.142 1.00 19.55 H new ATOM 0 HD22 LEU A 112 52.126 8.965 -2.235 1.00 19.55 H new ATOM 0 HD23 LEU A 112 50.844 7.919 -2.889 1.00 19.55 H new ATOM 1690 N GLY A 113 56.209 7.881 -4.822 1.00 18.31 N ATOM 1691 CA GLY A 113 57.644 7.621 -4.811 1.00 18.73 C ATOM 1692 C GLY A 113 57.950 6.239 -5.379 1.00 19.38 C ATOM 1693 O GLY A 113 59.112 5.849 -5.495 1.00 19.66 O ATOM 0 H GLY A 113 55.793 7.933 -5.752 1.00 18.31 H new ATOM 0 HA2 GLY A 113 58.160 8.382 -5.396 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.023 7.692 -3.791 1.00 18.73 H new ATOM 1697 N GLU A 114 56.900 5.505 -5.734 1.00 20.03 N ATOM 1698 CA GLU A 114 57.068 4.169 -6.292 1.00 20.93 C ATOM 1699 C GLU A 114 56.376 4.066 -7.648 1.00 21.67 C ATOM 1700 O GLU A 114 55.177 4.321 -7.762 1.00 21.82 O ATOM 1701 CB GLU A 114 56.484 3.126 -5.337 1.00 21.58 C ATOM 1702 CG GLU A 114 57.240 3.170 -4.008 1.00 22.38 C ATOM 1703 CD GLU A 114 56.512 4.077 -3.023 1.00 22.95 C ATOM 1704 OE1 GLU A 114 56.279 5.225 -3.366 1.00 21.15 O ATOM 1705 OE2 GLU A 114 56.196 3.611 -1.941 1.00 25.55 O ATOM 0 H GLU A 114 55.931 5.810 -5.646 1.00 20.03 H new ATOM 0 HA GLU A 114 58.133 3.981 -6.425 1.00 20.93 H new ATOM 0 HB2 GLU A 114 55.425 3.322 -5.171 1.00 21.58 H new ATOM 0 HB3 GLU A 114 56.559 2.132 -5.777 1.00 21.58 H new ATOM 0 HG2 GLU A 114 57.325 2.165 -3.595 1.00 22.38 H new ATOM 0 HG3 GLU A 114 58.254 3.535 -4.169 1.00 22.38 H new ATOM 1712 N LYS A 115 57.136 3.693 -8.671 1.00 21.94 N ATOM 1713 CA LYS A 115 56.581 3.563 -10.014 1.00 21.97 C ATOM 1714 C LYS A 115 55.817 2.249 -10.152 1.00 21.51 C ATOM 1715 O LYS A 115 56.400 1.169 -10.062 1.00 21.04 O ATOM 1716 CB LYS A 115 57.704 3.614 -11.051 1.00 22.09 C ATOM 1717 CG LYS A 115 57.134 4.057 -12.400 1.00 22.07 C ATOM 1718 CD LYS A 115 57.586 5.488 -12.700 1.00 22.17 C ATOM 1719 CE LYS A 115 57.122 5.886 -14.103 1.00 22.19 C ATOM 1720 NZ LYS A 115 55.639 5.774 -14.186 1.00 23.26 N ATOM 0 H LYS A 115 58.130 3.477 -8.598 1.00 21.94 H new ATOM 0 HA LYS A 115 55.893 4.391 -10.184 1.00 21.97 H new ATOM 0 HB2 LYS A 115 58.481 4.307 -10.727 1.00 22.09 H new ATOM 0 HB3 LYS A 115 58.171 2.633 -11.146 1.00 22.09 H new ATOM 0 HG2 LYS A 115 57.472 3.385 -13.188 1.00 22.07 H new ATOM 0 HG3 LYS A 115 56.045 4.004 -12.382 1.00 22.07 H new ATOM 0 HD2 LYS A 115 57.173 6.174 -11.960 1.00 22.17 H new ATOM 0 HD3 LYS A 115 58.671 5.560 -12.630 1.00 22.17 H new ATOM 0 HE2 LYS A 115 57.433 6.907 -14.325 1.00 22.19 H new ATOM 0 HE3 LYS A 115 57.588 5.242 -14.848 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 55.297 6.304 -15.013 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 55.371 4.774 -14.281 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 55.212 6.166 -13.323 1.00 23.26 H new ATOM 1734 N LEU A 116 54.511 2.351 -10.371 1.00 20.82 N ATOM 1735 CA LEU A 116 53.676 1.164 -10.520 1.00 20.59 C ATOM 1736 C LEU A 116 53.217 1.011 -11.966 1.00 20.06 C ATOM 1737 O LEU A 116 53.207 1.977 -12.730 1.00 20.89 O ATOM 1738 CB LEU A 116 52.456 1.265 -9.603 1.00 21.31 C ATOM 1739 CG LEU A 116 52.710 0.465 -8.324 1.00 21.00 C ATOM 1740 CD1 LEU A 116 51.907 1.073 -7.173 1.00 23.07 C ATOM 1741 CD2 LEU A 116 52.275 -0.987 -8.537 1.00 20.55 C ATOM 0 H LEU A 116 54.010 3.236 -10.449 1.00 20.82 H new ATOM 0 HA LEU A 116 54.266 0.290 -10.243 1.00 20.59 H new ATOM 0 HB2 LEU A 116 52.257 2.308 -9.358 1.00 21.31 H new ATOM 0 HB3 LEU A 116 51.572 0.883 -10.113 1.00 21.31 H new ATOM 0 HG LEU A 116 53.772 0.496 -8.081 1.00 21.00 H new ATOM 0 HD11 LEU A 116 52.088 0.503 -6.262 1.00 23.07 H new ATOM 0 HD12 LEU A 116 52.215 2.107 -7.021 1.00 23.07 H new ATOM 0 HD13 LEU A 116 50.845 1.043 -7.415 1.00 23.07 H new ATOM 0 HD21 LEU A 116 52.455 -1.558 -7.626 1.00 20.55 H new ATOM 0 HD22 LEU A 116 51.213 -1.017 -8.779 1.00 20.55 H new ATOM 0 HD23 LEU A 116 52.847 -1.422 -9.357 1.00 20.55 H new ATOM 1753 N THR A 117 52.836 -0.207 -12.336 1.00 19.20 N ATOM 1754 CA THR A 117 52.377 -0.475 -13.694 1.00 18.69 C ATOM 1755 C THR A 117 50.871 -0.263 -13.801 1.00 18.35 C ATOM 1756 O THR A 117 50.137 -0.451 -12.831 1.00 17.96 O ATOM 1757 CB THR A 117 52.722 -1.912 -14.089 1.00 18.94 C ATOM 1758 OG1 THR A 117 51.909 -2.813 -13.350 1.00 18.27 O ATOM 1759 CG2 THR A 117 54.196 -2.187 -13.786 1.00 19.41 C ATOM 0 H THR A 117 52.836 -1.019 -11.719 1.00 19.20 H new ATOM 0 HA THR A 117 52.879 0.217 -14.370 1.00 18.69 H new ATOM 0 HB THR A 117 52.541 -2.049 -15.155 1.00 18.94 H new ATOM 0 HG1 THR A 117 52.128 -3.734 -13.603 1.00 18.27 H new ATOM 0 HG21 THR A 117 54.440 -3.211 -14.068 1.00 19.41 H new ATOM 0 HG22 THR A 117 54.819 -1.496 -14.353 1.00 19.41 H new ATOM 0 HG23 THR A 117 54.380 -2.050 -12.720 1.00 19.41 H new ATOM 1767 N ASP A 118 50.416 0.128 -14.987 1.00 17.78 N ATOM 1768 CA ASP A 118 48.994 0.362 -15.210 1.00 17.28 C ATOM 1769 C ASP A 118 48.227 -0.956 -15.208 1.00 16.94 C ATOM 1770 O ASP A 118 47.034 -0.991 -14.910 1.00 16.90 O ATOM 1771 CB ASP A 118 48.785 1.075 -16.548 1.00 17.45 C ATOM 1772 CG ASP A 118 47.314 1.435 -16.722 1.00 17.24 C ATOM 1773 OD1 ASP A 118 46.602 1.431 -15.731 1.00 16.95 O ATOM 1774 OD2 ASP A 118 46.920 1.711 -17.843 1.00 18.08 O ATOM 0 H ASP A 118 51.006 0.289 -15.803 1.00 17.78 H new ATOM 0 HA ASP A 118 48.617 0.989 -14.402 1.00 17.28 H new ATOM 0 HB2 ASP A 118 49.396 1.977 -16.588 1.00 17.45 H new ATOM 0 HB3 ASP A 118 49.110 0.433 -17.367 1.00 17.45 H new ATOM 1779 N GLU A 119 48.921 -2.039 -15.543 1.00 16.47 N ATOM 1780 CA GLU A 119 48.295 -3.356 -15.576 1.00 16.08 C ATOM 1781 C GLU A 119 47.936 -3.814 -14.167 1.00 15.00 C ATOM 1782 O GLU A 119 46.838 -4.317 -13.928 1.00 14.51 O ATOM 1783 CB GLU A 119 49.244 -4.369 -16.219 1.00 16.34 C ATOM 1784 CG GLU A 119 49.239 -4.183 -17.737 1.00 17.65 C ATOM 1785 CD GLU A 119 49.212 -2.698 -18.080 1.00 18.58 C ATOM 1786 OE1 GLU A 119 50.275 -2.142 -18.302 1.00 18.43 O ATOM 1787 OE2 GLU A 119 48.129 -2.138 -18.116 1.00 20.16 O ATOM 0 H GLU A 119 49.910 -2.032 -15.794 1.00 16.47 H new ATOM 0 HA GLU A 119 47.382 -3.289 -16.167 1.00 16.08 H new ATOM 0 HB2 GLU A 119 50.253 -4.236 -15.829 1.00 16.34 H new ATOM 0 HB3 GLU A 119 48.936 -5.383 -15.966 1.00 16.34 H new ATOM 0 HG2 GLU A 119 50.123 -4.649 -18.172 1.00 17.65 H new ATOM 0 HG3 GLU A 119 48.371 -4.681 -18.170 1.00 17.65 H new ATOM 1794 N GLU A 120 48.868 -3.635 -13.236 1.00 14.19 N ATOM 1795 CA GLU A 120 48.639 -4.035 -11.853 1.00 13.46 C ATOM 1796 C GLU A 120 47.567 -3.158 -11.213 1.00 13.34 C ATOM 1797 O GLU A 120 46.794 -3.619 -10.372 1.00 13.03 O ATOM 1798 CB GLU A 120 49.938 -3.920 -11.053 1.00 13.02 C ATOM 1799 CG GLU A 120 49.723 -4.478 -9.646 1.00 11.76 C ATOM 1800 CD GLU A 120 50.890 -4.088 -8.746 1.00 11.68 C ATOM 1801 OE1 GLU A 120 51.734 -3.332 -9.198 1.00 7.04 O ATOM 1802 OE2 GLU A 120 50.922 -4.549 -7.617 1.00 10.77 O ATOM 0 H GLU A 120 49.782 -3.219 -13.413 1.00 14.19 H new ATOM 0 HA GLU A 120 48.299 -5.071 -11.846 1.00 13.46 H new ATOM 0 HB2 GLU A 120 50.736 -4.468 -11.555 1.00 13.02 H new ATOM 0 HB3 GLU A 120 50.252 -2.878 -10.998 1.00 13.02 H new ATOM 0 HG2 GLU A 120 48.790 -4.094 -9.232 1.00 11.76 H new ATOM 0 HG3 GLU A 120 49.631 -5.563 -9.686 1.00 11.76 H new ATOM 1809 N VAL A 121 47.525 -1.893 -11.618 1.00 13.10 N ATOM 1810 CA VAL A 121 46.543 -0.960 -11.077 1.00 12.97 C ATOM 1811 C VAL A 121 45.167 -1.222 -11.680 1.00 12.84 C ATOM 1812 O VAL A 121 44.161 -1.243 -10.970 1.00 13.10 O ATOM 1813 CB VAL A 121 46.968 0.478 -11.377 1.00 13.08 C ATOM 1814 CG1 VAL A 121 45.857 1.439 -10.951 1.00 12.21 C ATOM 1815 CG2 VAL A 121 48.246 0.803 -10.601 1.00 14.97 C ATOM 0 H VAL A 121 48.154 -1.492 -12.314 1.00 13.10 H new ATOM 0 HA VAL A 121 46.488 -1.104 -9.998 1.00 12.97 H new ATOM 0 HB VAL A 121 47.152 0.586 -12.446 1.00 13.08 H new ATOM 0 HG11 VAL A 121 46.160 2.464 -11.165 1.00 12.21 H new ATOM 0 HG12 VAL A 121 44.945 1.208 -11.502 1.00 12.21 H new ATOM 0 HG13 VAL A 121 45.673 1.331 -9.882 1.00 12.21 H new ATOM 0 HG21 VAL A 121 48.550 1.828 -10.814 1.00 14.97 H new ATOM 0 HG22 VAL A 121 48.060 0.694 -9.532 1.00 14.97 H new ATOM 0 HG23 VAL A 121 49.039 0.119 -10.903 1.00 14.97 H new ATOM 1825 N ASP A 122 45.130 -1.422 -12.994 1.00 13.33 N ATOM 1826 CA ASP A 122 43.871 -1.682 -13.682 1.00 13.39 C ATOM 1827 C ASP A 122 43.377 -3.093 -13.379 1.00 12.24 C ATOM 1828 O ASP A 122 42.189 -3.306 -13.137 1.00 11.31 O ATOM 1829 CB ASP A 122 44.057 -1.518 -15.191 1.00 14.42 C ATOM 1830 CG ASP A 122 42.698 -1.443 -15.879 1.00 16.19 C ATOM 1831 OD1 ASP A 122 41.754 -1.011 -15.237 1.00 20.12 O ATOM 1832 OD2 ASP A 122 42.620 -1.819 -17.037 1.00 19.51 O ATOM 0 H ASP A 122 45.951 -1.409 -13.599 1.00 13.33 H new ATOM 0 HA ASP A 122 43.130 -0.965 -13.328 1.00 13.39 H new ATOM 0 HB2 ASP A 122 44.629 -0.614 -15.399 1.00 14.42 H new ATOM 0 HB3 ASP A 122 44.629 -2.356 -15.588 1.00 14.42 H new ATOM 1837 N GLU A 123 44.296 -4.053 -13.393 1.00 11.13 N ATOM 1838 CA GLU A 123 43.942 -5.440 -13.118 1.00 10.29 C ATOM 1839 C GLU A 123 43.374 -5.579 -11.710 1.00 8.90 C ATOM 1840 O GLU A 123 42.465 -6.375 -11.472 1.00 7.96 O ATOM 1841 CB GLU A 123 45.175 -6.333 -13.263 1.00 10.26 C ATOM 1842 CG GLU A 123 44.760 -7.801 -13.152 1.00 12.28 C ATOM 1843 CD GLU A 123 45.991 -8.698 -13.218 1.00 13.69 C ATOM 1844 OE1 GLU A 123 46.089 -9.468 -14.160 1.00 14.38 O ATOM 1845 OE2 GLU A 123 46.819 -8.602 -12.327 1.00 15.72 O ATOM 0 H GLU A 123 45.285 -3.897 -13.590 1.00 11.13 H new ATOM 0 HA GLU A 123 43.183 -5.750 -13.836 1.00 10.29 H new ATOM 0 HB2 GLU A 123 45.657 -6.152 -14.224 1.00 10.26 H new ATOM 0 HB3 GLU A 123 45.905 -6.091 -12.490 1.00 10.26 H new ATOM 0 HG2 GLU A 123 44.229 -7.967 -12.215 1.00 12.28 H new ATOM 0 HG3 GLU A 123 44.072 -8.055 -13.958 1.00 12.28 H new ATOM 1852 N MET A 124 43.915 -4.799 -10.780 0.50 8.41 N ATOM 1853 CA MET A 124 43.454 -4.843 -9.397 0.50 7.66 C ATOM 1854 C MET A 124 42.024 -4.321 -9.293 0.50 7.37 C ATOM 1855 O MET A 124 41.117 -5.047 -8.885 0.50 7.04 O ATOM 1856 CB MET A 124 44.373 -3.998 -8.513 0.50 7.67 C ATOM 1857 CG MET A 124 43.986 -4.188 -7.045 0.50 7.34 C ATOM 1858 SD MET A 124 45.315 -3.566 -5.985 0.50 9.25 S ATOM 1859 CE MET A 124 44.728 -1.858 -5.865 0.50 9.75 C ATOM 0 H MET A 124 44.668 -4.133 -10.957 0.50 8.41 H new ATOM 0 HA MET A 124 43.477 -5.879 -9.058 0.50 7.66 H new ATOM 0 HB2 MET A 124 45.412 -4.290 -8.667 0.50 7.67 H new ATOM 0 HB3 MET A 124 44.293 -2.946 -8.788 0.50 7.67 H new ATOM 0 HG2 MET A 124 43.058 -3.658 -6.831 0.50 7.34 H new ATOM 0 HG3 MET A 124 43.806 -5.243 -6.839 0.50 7.34 H new ATOM 0 HE1 MET A 124 45.412 -1.281 -5.243 0.50 9.75 H new ATOM 0 HE2 MET A 124 44.684 -1.418 -6.861 0.50 9.75 H new ATOM 0 HE3 MET A 124 43.734 -1.845 -5.418 0.50 9.75 H new ATOM 1869 N ILE A 125 41.831 -3.060 -9.663 1.00 7.50 N ATOM 1870 CA ILE A 125 40.507 -2.452 -9.608 1.00 8.03 C ATOM 1871 C ILE A 125 39.512 -3.259 -10.435 1.00 8.46 C ATOM 1872 O ILE A 125 38.390 -3.515 -9.999 1.00 9.97 O ATOM 1873 CB ILE A 125 40.567 -1.018 -10.135 1.00 9.03 C ATOM 1874 CG1 ILE A 125 41.271 -0.128 -9.109 1.00 8.72 C ATOM 1875 CG2 ILE A 125 39.148 -0.499 -10.370 1.00 8.18 C ATOM 1876 CD1 ILE A 125 41.688 1.186 -9.772 1.00 11.99 C ATOM 0 H ILE A 125 42.569 -2.443 -10.002 1.00 7.50 H new ATOM 0 HA ILE A 125 40.176 -2.443 -8.570 1.00 8.03 H new ATOM 0 HB ILE A 125 41.120 -1.000 -11.074 1.00 9.03 H new ATOM 0 HG12 ILE A 125 40.606 0.072 -8.269 1.00 8.72 H new ATOM 0 HG13 ILE A 125 42.146 -0.639 -8.709 1.00 8.72 H new ATOM 0 HG21 ILE A 125 39.192 0.523 -10.746 1.00 8.18 H new ATOM 0 HG22 ILE A 125 38.645 -1.133 -11.101 1.00 8.18 H new ATOM 0 HG23 ILE A 125 38.594 -0.517 -9.432 1.00 8.18 H new ATOM 0 HD11 ILE A 125 42.189 1.820 -9.040 1.00 11.99 H new ATOM 0 HD12 ILE A 125 42.368 0.977 -10.598 1.00 11.99 H new ATOM 0 HD13 ILE A 125 40.804 1.699 -10.151 1.00 11.99 H new ATOM 1888 N ARG A 126 39.932 -3.658 -11.631 1.00 10.35 N ATOM 1889 CA ARG A 126 39.069 -4.437 -12.512 1.00 12.29 C ATOM 1890 C ARG A 126 38.568 -5.689 -11.800 1.00 12.05 C ATOM 1891 O ARG A 126 37.535 -6.252 -12.165 1.00 12.18 O ATOM 1892 CB ARG A 126 39.836 -4.838 -13.774 1.00 13.33 C ATOM 1893 CG ARG A 126 38.874 -5.485 -14.773 1.00 16.87 C ATOM 1894 CD ARG A 126 37.958 -4.414 -15.367 1.00 19.79 C ATOM 1895 NE ARG A 126 37.456 -4.844 -16.667 1.00 23.64 N ATOM 1896 CZ ARG A 126 37.090 -3.959 -17.589 1.00 25.37 C ATOM 1897 NH1 ARG A 126 36.644 -4.368 -18.745 1.00 25.82 N ATOM 1898 NH2 ARG A 126 37.176 -2.681 -17.338 1.00 27.23 N ATOM 0 H ARG A 126 40.857 -3.457 -12.010 1.00 10.35 H new ATOM 0 HA ARG A 126 38.213 -3.822 -12.788 1.00 12.29 H new ATOM 0 HB2 ARG A 126 40.306 -3.962 -14.221 1.00 13.33 H new ATOM 0 HB3 ARG A 126 40.636 -5.534 -13.520 1.00 13.33 H new ATOM 0 HG2 ARG A 126 39.435 -5.979 -15.566 1.00 16.87 H new ATOM 0 HG3 ARG A 126 38.280 -6.252 -14.277 1.00 16.87 H new ATOM 0 HD2 ARG A 126 37.124 -4.224 -14.692 1.00 19.79 H new ATOM 0 HD3 ARG A 126 38.503 -3.476 -15.472 1.00 19.79 H new ATOM 0 HE ARG A 126 37.385 -5.841 -16.872 1.00 23.64 H new ATOM 0 HH11 ARG A 126 36.576 -5.367 -18.941 1.00 25.82 H new ATOM 0 HH12 ARG A 126 36.363 -3.689 -19.452 1.00 25.82 H new ATOM 0 HH21 ARG A 126 37.524 -2.361 -16.434 1.00 27.23 H new ATOM 0 HH22 ARG A 126 36.895 -2.002 -18.046 1.00 27.23 H new ATOM 1912 N GLU A 127 39.306 -6.120 -10.782 1.00 11.23 N ATOM 1913 CA GLU A 127 38.927 -7.308 -10.025 1.00 11.00 C ATOM 1914 C GLU A 127 38.006 -6.934 -8.868 1.00 10.05 C ATOM 1915 O GLU A 127 36.908 -7.474 -8.736 1.00 10.87 O ATOM 1916 CB GLU A 127 40.177 -8.002 -9.481 1.00 10.54 C ATOM 1917 CG GLU A 127 39.915 -9.504 -9.358 1.00 12.15 C ATOM 1918 CD GLU A 127 41.187 -10.221 -8.921 1.00 14.58 C ATOM 1919 OE1 GLU A 127 42.257 -9.774 -9.302 1.00 15.50 O ATOM 1920 OE2 GLU A 127 41.074 -11.208 -8.212 1.00 12.21 O ATOM 0 H GLU A 127 40.164 -5.669 -10.464 1.00 11.23 H new ATOM 0 HA GLU A 127 38.397 -7.987 -10.692 1.00 11.00 H new ATOM 0 HB2 GLU A 127 41.023 -7.823 -10.145 1.00 10.54 H new ATOM 0 HB3 GLU A 127 40.442 -7.588 -8.508 1.00 10.54 H new ATOM 0 HG2 GLU A 127 39.119 -9.685 -8.635 1.00 12.15 H new ATOM 0 HG3 GLU A 127 39.574 -9.901 -10.314 1.00 12.15 H new ATOM 1927 N ALA A 128 38.461 -6.006 -8.032 1.00 9.88 N ATOM 1928 CA ALA A 128 37.669 -5.567 -6.889 1.00 9.79 C ATOM 1929 C ALA A 128 36.473 -4.741 -7.353 1.00 9.77 C ATOM 1930 O ALA A 128 35.484 -4.605 -6.634 1.00 9.01 O ATOM 1931 CB ALA A 128 38.533 -4.731 -5.943 1.00 10.50 C ATOM 0 H ALA A 128 39.367 -5.547 -8.123 1.00 9.88 H new ATOM 0 HA ALA A 128 37.306 -6.449 -6.362 1.00 9.79 H new ATOM 0 HB1 ALA A 128 37.933 -4.408 -5.092 1.00 10.50 H new ATOM 0 HB2 ALA A 128 39.371 -5.332 -5.589 1.00 10.50 H new ATOM 0 HB3 ALA A 128 38.912 -3.857 -6.473 1.00 10.50 H new ATOM 1937 N ASP A 129 36.572 -4.193 -8.560 1.00 9.64 N ATOM 1938 CA ASP A 129 35.493 -3.383 -9.111 1.00 9.00 C ATOM 1939 C ASP A 129 34.341 -4.270 -9.573 1.00 8.76 C ATOM 1940 O ASP A 129 34.329 -4.749 -10.707 1.00 10.86 O ATOM 1941 CB ASP A 129 36.009 -2.558 -10.291 1.00 7.85 C ATOM 1942 CG ASP A 129 34.876 -1.727 -10.883 1.00 9.69 C ATOM 1943 OD1 ASP A 129 33.731 -2.027 -10.586 1.00 9.05 O ATOM 1944 OD2 ASP A 129 35.169 -0.804 -11.624 1.00 6.85 O ATOM 0 H ASP A 129 37.382 -4.294 -9.171 1.00 9.64 H new ATOM 0 HA ASP A 129 35.132 -2.713 -8.331 1.00 9.00 H new ATOM 0 HB2 ASP A 129 36.817 -1.904 -9.962 1.00 7.85 H new ATOM 0 HB3 ASP A 129 36.423 -3.218 -11.053 1.00 7.85 H new ATOM 1949 N ILE A 130 33.375 -4.486 -8.686 1.00 7.88 N ATOM 1950 CA ILE A 130 32.223 -5.319 -9.012 1.00 5.73 C ATOM 1951 C ILE A 130 31.623 -4.906 -10.352 1.00 5.05 C ATOM 1952 O ILE A 130 31.226 -5.753 -11.153 1.00 5.02 O ATOM 1953 CB ILE A 130 31.163 -5.196 -7.917 1.00 6.80 C ATOM 1954 CG1 ILE A 130 31.823 -5.370 -6.545 1.00 8.06 C ATOM 1955 CG2 ILE A 130 30.099 -6.278 -8.112 1.00 4.19 C ATOM 1956 CD1 ILE A 130 31.513 -4.153 -5.669 1.00 12.26 C ATOM 0 H ILE A 130 33.366 -4.099 -7.742 1.00 7.88 H new ATOM 0 HA ILE A 130 32.556 -6.355 -9.081 1.00 5.73 H new ATOM 0 HB ILE A 130 30.696 -4.213 -7.973 1.00 6.80 H new ATOM 0 HG12 ILE A 130 31.457 -6.278 -6.066 1.00 8.06 H new ATOM 0 HG13 ILE A 130 32.901 -5.483 -6.660 1.00 8.06 H new ATOM 0 HG21 ILE A 130 29.343 -6.190 -7.331 1.00 4.19 H new ATOM 0 HG22 ILE A 130 29.629 -6.154 -9.088 1.00 4.19 H new ATOM 0 HG23 ILE A 130 30.566 -7.261 -8.056 1.00 4.19 H new ATOM 0 HD11 ILE A 130 31.983 -4.278 -4.693 1.00 12.26 H new ATOM 0 HD12 ILE A 130 31.901 -3.253 -6.146 1.00 12.26 H new ATOM 0 HD13 ILE A 130 30.434 -4.061 -5.543 1.00 12.26 H new ATOM 1968 N ASP A 131 31.557 -3.600 -10.590 1.00 3.37 N ATOM 1969 CA ASP A 131 31.000 -3.088 -11.837 1.00 3.41 C ATOM 1970 C ASP A 131 32.053 -3.097 -12.940 1.00 3.42 C ATOM 1971 O ASP A 131 31.725 -3.023 -14.124 1.00 5.27 O ATOM 1972 CB ASP A 131 30.484 -1.663 -11.633 1.00 3.12 C ATOM 1973 CG ASP A 131 29.416 -1.646 -10.544 1.00 5.63 C ATOM 1974 OD1 ASP A 131 28.894 -2.705 -10.237 1.00 7.79 O ATOM 1975 OD2 ASP A 131 29.137 -0.574 -10.032 1.00 5.83 O ATOM 0 H ASP A 131 31.880 -2.882 -9.941 1.00 3.37 H new ATOM 0 HA ASP A 131 30.174 -3.734 -12.135 1.00 3.41 H new ATOM 0 HB2 ASP A 131 31.308 -1.005 -11.356 1.00 3.12 H new ATOM 0 HB3 ASP A 131 30.070 -1.280 -12.566 1.00 3.12 H new ATOM 1980 N GLY A 132 33.319 -3.188 -12.545 1.00 3.22 N ATOM 1981 CA GLY A 132 34.411 -3.204 -13.512 1.00 3.08 C ATOM 1982 C GLY A 132 34.315 -2.016 -14.462 1.00 3.63 C ATOM 1983 O GLY A 132 34.300 -2.184 -15.682 1.00 3.93 O ATOM 0 H GLY A 132 33.613 -3.251 -11.570 1.00 3.22 H new ATOM 0 HA2 GLY A 132 35.366 -3.179 -12.988 1.00 3.08 H new ATOM 0 HA3 GLY A 132 34.384 -4.133 -14.081 1.00 3.08 H new ATOM 1987 N ASP A 133 34.249 -0.815 -13.896 1.00 3.43 N ATOM 1988 CA ASP A 133 34.154 0.395 -14.704 1.00 4.62 C ATOM 1989 C ASP A 133 35.512 1.082 -14.806 1.00 4.97 C ATOM 1990 O ASP A 133 35.702 1.985 -15.621 1.00 5.60 O ATOM 1991 CB ASP A 133 33.138 1.357 -14.086 1.00 4.81 C ATOM 1992 CG ASP A 133 32.092 0.576 -13.299 1.00 6.31 C ATOM 1993 OD1 ASP A 133 31.552 1.130 -12.355 1.00 9.56 O ATOM 1994 OD2 ASP A 133 31.846 -0.566 -13.650 1.00 5.38 O ATOM 0 H ASP A 133 34.259 -0.654 -12.889 1.00 3.43 H new ATOM 0 HA ASP A 133 33.827 0.115 -15.705 1.00 4.62 H new ATOM 0 HB2 ASP A 133 33.646 2.063 -13.430 1.00 4.81 H new ATOM 0 HB3 ASP A 133 32.655 1.941 -14.869 1.00 4.81 H new ATOM 1999 N GLY A 134 36.454 0.649 -13.973 1.00 5.35 N ATOM 2000 CA GLY A 134 37.791 1.231 -13.979 1.00 5.78 C ATOM 2001 C GLY A 134 37.993 2.146 -12.777 1.00 6.89 C ATOM 2002 O GLY A 134 38.994 2.857 -12.686 1.00 7.32 O ATOM 0 H GLY A 134 36.318 -0.097 -13.291 1.00 5.35 H new ATOM 0 HA2 GLY A 134 38.537 0.437 -13.966 1.00 5.78 H new ATOM 0 HA3 GLY A 134 37.942 1.795 -14.899 1.00 5.78 H new ATOM 2006 N GLN A 135 37.035 2.123 -11.855 1.00 8.76 N ATOM 2007 CA GLN A 135 37.117 2.954 -10.659 1.00 10.22 C ATOM 2008 C GLN A 135 36.488 2.238 -9.469 1.00 10.54 C ATOM 2009 O GLN A 135 35.785 1.241 -9.634 1.00 9.45 O ATOM 2010 CB GLN A 135 36.398 4.283 -10.896 1.00 11.41 C ATOM 2011 CG GLN A 135 34.885 4.055 -10.882 1.00 15.22 C ATOM 2012 CD GLN A 135 34.205 5.000 -11.866 1.00 14.99 C ATOM 2013 OE1 GLN A 135 34.864 5.574 -12.733 1.00 22.05 O ATOM 2014 NE2 GLN A 135 32.918 5.198 -11.783 1.00 21.85 N ATOM 0 H GLN A 135 36.198 1.542 -11.912 1.00 8.76 H new ATOM 0 HA GLN A 135 38.168 3.145 -10.441 1.00 10.22 H new ATOM 0 HB2 GLN A 135 36.675 5.001 -10.124 1.00 11.41 H new ATOM 0 HB3 GLN A 135 36.703 4.708 -11.852 1.00 11.41 H new ATOM 0 HG2 GLN A 135 34.663 3.021 -11.146 1.00 15.22 H new ATOM 0 HG3 GLN A 135 34.494 4.219 -9.878 1.00 15.22 H new ATOM 0 HE21 GLN A 135 32.374 4.721 -11.064 1.00 21.85 H new ATOM 0 HE22 GLN A 135 32.456 5.829 -12.437 1.00 21.85 H new ATOM 2023 N VAL A 136 36.744 2.751 -8.270 1.00 10.23 N ATOM 2024 CA VAL A 136 36.194 2.147 -7.062 1.00 8.85 C ATOM 2025 C VAL A 136 35.349 3.157 -6.293 1.00 7.34 C ATOM 2026 O VAL A 136 35.877 4.003 -5.571 1.00 7.03 O ATOM 2027 CB VAL A 136 37.329 1.642 -6.169 1.00 7.54 C ATOM 2028 CG1 VAL A 136 36.743 0.893 -4.971 1.00 8.16 C ATOM 2029 CG2 VAL A 136 38.225 0.697 -6.971 1.00 10.34 C ATOM 0 H VAL A 136 37.323 3.575 -8.109 1.00 10.23 H new ATOM 0 HA VAL A 136 35.560 1.309 -7.353 1.00 8.85 H new ATOM 0 HB VAL A 136 37.916 2.489 -5.815 1.00 7.54 H new ATOM 0 HG11 VAL A 136 37.552 0.534 -4.335 1.00 8.16 H new ATOM 0 HG12 VAL A 136 36.103 1.565 -4.399 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.155 0.046 -5.324 1.00 8.16 H new ATOM 0 HG21 VAL A 136 39.034 0.336 -6.336 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.637 -0.150 -7.325 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.644 1.230 -7.825 1.00 10.34 H new ATOM 2039 N ASN A 137 34.033 3.061 -6.454 1.00 6.53 N ATOM 2040 CA ASN A 137 33.121 3.971 -5.771 1.00 7.00 C ATOM 2041 C ASN A 137 33.139 3.721 -4.267 1.00 7.22 C ATOM 2042 O ASN A 137 33.544 2.651 -3.811 1.00 10.52 O ATOM 2043 CB ASN A 137 31.700 3.784 -6.305 1.00 6.31 C ATOM 2044 CG ASN A 137 31.561 4.458 -7.666 1.00 7.74 C ATOM 2045 OD1 ASN A 137 32.395 4.255 -8.548 1.00 12.02 O ATOM 2046 ND2 ASN A 137 30.551 5.253 -7.889 1.00 9.78 N ATOM 0 H ASN A 137 33.577 2.368 -7.047 1.00 6.53 H new ATOM 0 HA ASN A 137 33.449 4.993 -5.961 1.00 7.00 H new ATOM 0 HB2 ASN A 137 31.472 2.722 -6.391 1.00 6.31 H new ATOM 0 HB3 ASN A 137 30.981 4.209 -5.605 1.00 6.31 H new ATOM 0 HD21 ASN A 137 30.451 5.708 -8.796 1.00 9.78 H new ATOM 0 HD22 ASN A 137 29.861 5.419 -7.156 1.00 9.78 H new ATOM 2053 N TYR A 138 32.697 4.713 -3.501 0.50 8.14 N ATOM 2054 CA TYR A 138 32.667 4.588 -2.048 0.50 7.95 C ATOM 2055 C TYR A 138 31.933 3.316 -1.636 0.50 8.75 C ATOM 2056 O TYR A 138 32.315 2.652 -0.672 0.50 8.62 O ATOM 2057 CB TYR A 138 31.971 5.804 -1.434 0.50 7.85 C ATOM 2058 CG TYR A 138 32.283 5.871 0.042 0.50 6.95 C ATOM 2059 CD1 TYR A 138 33.482 6.446 0.478 0.50 6.52 C ATOM 2060 CD2 TYR A 138 31.372 5.358 0.974 0.50 5.59 C ATOM 2061 CE1 TYR A 138 33.772 6.508 1.847 0.50 7.79 C ATOM 2062 CE2 TYR A 138 31.662 5.420 2.342 0.50 5.99 C ATOM 2063 CZ TYR A 138 32.861 5.995 2.779 0.50 6.26 C ATOM 2064 OH TYR A 138 33.147 6.056 4.127 0.50 6.33 O ATOM 0 H TYR A 138 32.357 5.606 -3.858 0.50 8.14 H new ATOM 0 HA TYR A 138 33.693 4.536 -1.684 0.50 7.95 H new ATOM 0 HB2 TYR A 138 32.305 6.716 -1.929 0.50 7.85 H new ATOM 0 HB3 TYR A 138 30.894 5.735 -1.586 0.50 7.85 H new ATOM 0 HD1 TYR A 138 34.184 6.842 -0.241 0.50 6.52 H new ATOM 0 HD2 TYR A 138 30.446 4.915 0.637 0.50 5.59 H new ATOM 0 HE1 TYR A 138 34.698 6.951 2.184 0.50 7.79 H new ATOM 0 HE2 TYR A 138 30.960 5.024 3.061 0.50 5.99 H new ATOM 0 HH TYR A 138 32.330 6.268 4.625 0.50 6.33 H new ATOM 2074 N GLU A 139 30.877 2.984 -2.372 1.00 9.07 N ATOM 2075 CA GLU A 139 30.096 1.789 -2.073 1.00 10.59 C ATOM 2076 C GLU A 139 30.984 0.549 -2.101 1.00 9.77 C ATOM 2077 O GLU A 139 30.815 -0.366 -1.295 1.00 11.13 O ATOM 2078 CB GLU A 139 28.968 1.634 -3.095 1.00 10.86 C ATOM 2079 CG GLU A 139 28.046 0.490 -2.668 1.00 14.67 C ATOM 2080 CD GLU A 139 28.314 -0.743 -3.524 1.00 16.27 C ATOM 2081 OE1 GLU A 139 27.871 -0.758 -4.661 1.00 22.33 O ATOM 2082 OE2 GLU A 139 28.958 -1.654 -3.031 1.00 20.01 O ATOM 0 H GLU A 139 30.544 3.521 -3.173 1.00 9.07 H new ATOM 0 HA GLU A 139 29.670 1.895 -1.075 1.00 10.59 H new ATOM 0 HB2 GLU A 139 28.402 2.562 -3.171 1.00 10.86 H new ATOM 0 HB3 GLU A 139 29.383 1.432 -4.082 1.00 10.86 H new ATOM 0 HG2 GLU A 139 28.208 0.255 -1.616 1.00 14.67 H new ATOM 0 HG3 GLU A 139 27.004 0.794 -2.770 1.00 14.67 H new ATOM 2089 N GLU A 140 31.931 0.526 -3.034 1.00 10.22 N ATOM 2090 CA GLU A 140 32.840 -0.607 -3.157 1.00 8.98 C ATOM 2091 C GLU A 140 33.723 -0.722 -1.918 1.00 8.77 C ATOM 2092 O GLU A 140 33.994 -1.822 -1.437 1.00 8.82 O ATOM 2093 CB GLU A 140 33.718 -0.440 -4.398 1.00 9.71 C ATOM 2094 CG GLU A 140 33.063 -1.147 -5.586 1.00 8.70 C ATOM 2095 CD GLU A 140 33.334 -0.369 -6.869 1.00 9.57 C ATOM 2096 OE1 GLU A 140 32.784 0.711 -7.011 1.00 13.45 O ATOM 2097 OE2 GLU A 140 34.087 -0.864 -7.691 1.00 10.05 O ATOM 0 H GLU A 140 32.088 1.273 -3.711 1.00 10.22 H new ATOM 0 HA GLU A 140 32.247 -1.516 -3.252 1.00 8.98 H new ATOM 0 HB2 GLU A 140 33.854 0.618 -4.621 1.00 9.71 H new ATOM 0 HB3 GLU A 140 34.708 -0.856 -4.214 1.00 9.71 H new ATOM 0 HG2 GLU A 140 33.453 -2.161 -5.676 1.00 8.70 H new ATOM 0 HG3 GLU A 140 31.989 -1.232 -5.422 1.00 8.70 H new ATOM 2104 N PHE A 141 34.168 0.422 -1.407 1.00 7.84 N ATOM 2105 CA PHE A 141 35.018 0.437 -0.222 1.00 6.81 C ATOM 2106 C PHE A 141 34.383 -0.374 0.901 1.00 7.49 C ATOM 2107 O PHE A 141 34.985 -1.316 1.418 1.00 8.25 O ATOM 2108 CB PHE A 141 35.236 1.878 0.246 1.00 7.47 C ATOM 2109 CG PHE A 141 36.587 2.362 -0.221 1.00 5.76 C ATOM 2110 CD1 PHE A 141 36.893 2.374 -1.588 1.00 6.47 C ATOM 2111 CD2 PHE A 141 37.534 2.802 0.711 1.00 4.85 C ATOM 2112 CE1 PHE A 141 38.146 2.824 -2.021 1.00 2.00 C ATOM 2113 CE2 PHE A 141 38.787 3.252 0.278 1.00 4.27 C ATOM 2114 CZ PHE A 141 39.093 3.263 -1.088 1.00 2.00 C ATOM 0 H PHE A 141 33.956 1.343 -1.791 1.00 7.84 H new ATOM 0 HA PHE A 141 35.978 -0.010 -0.480 1.00 6.81 H new ATOM 0 HB2 PHE A 141 34.451 2.522 -0.149 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.175 1.931 1.333 1.00 7.47 H new ATOM 0 HD1 PHE A 141 36.162 2.036 -2.308 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.298 2.794 1.765 1.00 4.85 H new ATOM 0 HE1 PHE A 141 38.382 2.832 -3.075 1.00 2.00 H new ATOM 0 HE2 PHE A 141 39.517 3.591 0.998 1.00 4.27 H new ATOM 0 HZ PHE A 141 40.060 3.610 -1.422 1.00 2.00 H new ATOM 2124 N VAL A 142 33.162 -0.003 1.274 1.00 5.97 N ATOM 2125 CA VAL A 142 32.453 -0.704 2.337 1.00 6.53 C ATOM 2126 C VAL A 142 32.423 -2.204 2.060 1.00 5.16 C ATOM 2127 O VAL A 142 32.274 -3.011 2.977 1.00 5.28 O ATOM 2128 CB VAL A 142 31.023 -0.174 2.449 1.00 7.17 C ATOM 2129 CG1 VAL A 142 30.242 -1.019 3.457 1.00 10.15 C ATOM 2130 CG2 VAL A 142 31.057 1.281 2.921 1.00 7.96 C ATOM 0 H VAL A 142 32.647 0.773 0.859 1.00 5.97 H new ATOM 0 HA VAL A 142 32.978 -0.530 3.276 1.00 6.53 H new ATOM 0 HB VAL A 142 30.536 -0.231 1.475 1.00 7.17 H new ATOM 0 HG11 VAL A 142 29.223 -0.641 3.537 1.00 10.15 H new ATOM 0 HG12 VAL A 142 30.219 -2.056 3.122 1.00 10.15 H new ATOM 0 HG13 VAL A 142 30.727 -0.963 4.432 1.00 10.15 H new ATOM 0 HG21 VAL A 142 30.039 1.661 3.002 1.00 7.96 H new ATOM 0 HG22 VAL A 142 31.543 1.336 3.895 1.00 7.96 H new ATOM 0 HG23 VAL A 142 31.613 1.884 2.203 1.00 7.96 H new ATOM 2140 N GLN A 143 32.568 -2.569 0.790 0.50 5.93 N ATOM 2141 CA GLN A 143 32.558 -3.975 0.404 0.50 5.91 C ATOM 2142 C GLN A 143 33.821 -4.673 0.897 0.50 5.69 C ATOM 2143 O GLN A 143 33.759 -5.762 1.468 0.50 5.40 O ATOM 2144 CB GLN A 143 32.464 -4.099 -1.118 0.50 5.96 C ATOM 2145 CG GLN A 143 31.841 -5.447 -1.484 0.50 6.79 C ATOM 2146 CD GLN A 143 32.751 -6.583 -1.027 0.50 8.07 C ATOM 2147 OE1 GLN A 143 32.359 -7.396 -0.190 0.50 7.89 O ATOM 2148 NE2 GLN A 143 33.951 -6.688 -1.531 0.50 8.24 N ATOM 0 H GLN A 143 32.693 -1.916 0.016 0.50 5.93 H new ATOM 0 HA GLN A 143 31.691 -4.452 0.860 0.50 5.91 H new ATOM 0 HB2 GLN A 143 31.861 -3.286 -1.523 0.50 5.96 H new ATOM 0 HB3 GLN A 143 33.456 -4.012 -1.562 0.50 5.96 H new ATOM 0 HG2 GLN A 143 30.862 -5.544 -1.015 0.50 6.79 H new ATOM 0 HG3 GLN A 143 31.686 -5.505 -2.561 0.50 6.79 H new ATOM 0 HE21 GLN A 143 34.274 -6.013 -2.224 0.50 8.24 H new ATOM 0 HE22 GLN A 143 34.566 -7.445 -1.231 0.50 8.24 H new ATOM 2157 N MET A 144 34.967 -4.039 0.670 0.50 6.59 N ATOM 2158 CA MET A 144 36.241 -4.608 1.094 0.50 5.84 C ATOM 2159 C MET A 144 36.166 -5.063 2.548 0.50 6.04 C ATOM 2160 O MET A 144 36.913 -5.945 2.972 0.50 6.68 O ATOM 2161 CB MET A 144 37.355 -3.571 0.937 0.50 5.76 C ATOM 2162 CG MET A 144 38.526 -3.938 1.849 0.50 5.91 C ATOM 2163 SD MET A 144 40.022 -3.093 1.279 0.50 4.59 S ATOM 2164 CE MET A 144 40.670 -2.653 2.910 0.50 2.00 C ATOM 0 H MET A 144 35.040 -3.138 0.198 0.50 6.59 H new ATOM 0 HA MET A 144 36.459 -5.472 0.466 0.50 5.84 H new ATOM 0 HB2 MET A 144 37.687 -3.532 -0.101 0.50 5.76 H new ATOM 0 HB3 MET A 144 36.981 -2.579 1.189 0.50 5.76 H new ATOM 0 HG2 MET A 144 38.304 -3.653 2.877 0.50 5.91 H new ATOM 0 HG3 MET A 144 38.681 -5.017 1.844 0.50 5.91 H new ATOM 0 HE1 MET A 144 41.610 -2.113 2.795 0.50 2.00 H new ATOM 0 HE2 MET A 144 39.950 -2.021 3.429 0.50 2.00 H new ATOM 0 HE3 MET A 144 40.842 -3.560 3.490 0.50 2.00 H new ATOM 2174 N MET A 145 35.259 -4.457 3.307 0.50 6.29 N ATOM 2175 CA MET A 145 35.094 -4.811 4.712 0.50 7.25 C ATOM 2176 C MET A 145 33.837 -5.653 4.908 0.50 7.30 C ATOM 2177 O MET A 145 33.617 -6.221 5.978 0.50 6.60 O ATOM 2178 CB MET A 145 35.001 -3.544 5.564 0.50 7.65 C ATOM 2179 CG MET A 145 33.775 -2.732 5.142 0.50 9.43 C ATOM 2180 SD MET A 145 33.437 -1.460 6.385 0.50 13.37 S ATOM 2181 CE MET A 145 35.009 -0.576 6.239 0.50 13.25 C ATOM 0 H MET A 145 34.631 -3.724 2.976 0.50 6.29 H new ATOM 0 HA MET A 145 35.960 -5.394 5.024 0.50 7.25 H new ATOM 0 HB2 MET A 145 34.930 -3.807 6.619 0.50 7.65 H new ATOM 0 HB3 MET A 145 35.905 -2.946 5.445 0.50 7.65 H new ATOM 0 HG2 MET A 145 33.949 -2.269 4.171 0.50 9.43 H new ATOM 0 HG3 MET A 145 32.911 -3.388 5.033 0.50 9.43 H new ATOM 0 HE1 MET A 145 34.924 0.399 6.719 0.50 13.25 H new ATOM 0 HE2 MET A 145 35.797 -1.152 6.725 0.50 13.25 H new ATOM 0 HE3 MET A 145 35.255 -0.442 5.186 0.50 13.25 H new