USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC H2A : A 107 HEC O2A : A 107 HEC CGA :(short bond) USER MOD Single : A 1 SER N :NH3+ 135:sc= 0.00577 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 8 THR OG1 : rot -74:sc= 1.24 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 73:sc= 0.0692 USER MOD Single : A 15 THR OG1 : rot 88:sc= 0.282 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -177:sc= 0 (180deg=-0.0139) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.32) USER MOD Single : A 72 MET CE :methyl -166:sc= 0 (180deg=-0.289) USER MOD Single : A 74 ASN : amide:sc= 1.1 K(o=1.1,f=-0.75) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 71:sc= 0.115 USER MOD Single : A 93 THR OG1 : rot 87:sc= 1.15 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 98 THR OG1 : rot 56:sc= 0.0581 USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.00962 USER MOD Single : A 102 ASN : amide:sc= 0.584 K(o=0.58,f=-3.6!) USER MOD Single : A 107 HEC O2D : rot 10:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.752 8.259 8.015 1.00 3.38 N ATOM 2 CA SER A 1 10.738 8.235 6.952 1.00 3.34 C ATOM 3 C SER A 1 10.209 6.821 6.696 1.00 2.09 C ATOM 4 O SER A 1 10.940 5.833 6.779 1.00 2.27 O ATOM 5 CB SER A 1 11.304 8.735 5.622 1.00 4.19 C ATOM 6 OG SER A 1 11.725 10.075 5.681 1.00 5.38 O ATOM 0 H1 SER A 1 12.554 8.850 7.716 1.00 3.38 H new ATOM 0 H2 SER A 1 11.336 8.653 8.883 1.00 3.38 H new ATOM 0 H3 SER A 1 12.085 7.291 8.199 1.00 3.38 H new ATOM 0 HA SER A 1 9.937 8.885 7.303 1.00 3.34 H new ATOM 0 HB2 SER A 1 12.146 8.107 5.331 1.00 4.19 H new ATOM 0 HB3 SER A 1 10.545 8.631 4.847 1.00 4.19 H new ATOM 0 HG SER A 1 12.079 10.345 4.808 1.00 5.38 H new ATOM 12 N GLY A 2 8.937 6.715 6.316 1.00 2.21 N ATOM 13 CA GLY A 2 8.270 5.432 6.094 1.00 1.22 C ATOM 14 C GLY A 2 7.786 4.792 7.398 1.00 0.91 C ATOM 15 O GLY A 2 6.582 4.651 7.581 1.00 1.04 O ATOM 0 H GLY A 2 8.335 7.522 6.152 1.00 2.21 H new ATOM 0 HA2 GLY A 2 7.420 5.578 5.427 1.00 1.22 H new ATOM 0 HA3 GLY A 2 8.957 4.751 5.591 1.00 1.22 H new ATOM 19 N GLU A 3 8.691 4.509 8.337 1.00 0.76 N ATOM 20 CA GLU A 3 8.374 4.005 9.687 1.00 0.67 C ATOM 21 C GLU A 3 7.387 4.939 10.412 1.00 0.74 C ATOM 22 O GLU A 3 6.273 4.537 10.760 1.00 0.84 O ATOM 23 CB GLU A 3 9.701 3.859 10.459 1.00 0.96 C ATOM 24 CG GLU A 3 9.598 3.553 11.962 1.00 1.46 C ATOM 25 CD GLU A 3 9.169 2.115 12.250 1.00 2.14 C ATOM 26 OE1 GLU A 3 7.949 1.865 12.385 1.00 3.29 O ATOM 27 OE2 GLU A 3 10.061 1.243 12.406 1.00 3.08 O ATOM 0 H GLU A 3 9.692 4.625 8.182 1.00 0.76 H new ATOM 0 HA GLU A 3 7.880 3.035 9.623 1.00 0.67 H new ATOM 0 HB2 GLU A 3 10.282 3.065 9.990 1.00 0.96 H new ATOM 0 HB3 GLU A 3 10.268 4.782 10.338 1.00 0.96 H new ATOM 0 HG2 GLU A 3 10.564 3.739 12.432 1.00 1.46 H new ATOM 0 HG3 GLU A 3 8.884 4.238 12.419 1.00 1.46 H new ATOM 34 N GLN A 4 7.761 6.217 10.562 1.00 0.85 N ATOM 35 CA GLN A 4 6.918 7.241 11.185 1.00 1.05 C ATOM 36 C GLN A 4 5.656 7.530 10.355 1.00 1.18 C ATOM 37 O GLN A 4 4.588 7.789 10.908 1.00 1.41 O ATOM 38 CB GLN A 4 7.763 8.512 11.356 1.00 1.21 C ATOM 39 CG GLN A 4 7.056 9.596 12.183 1.00 2.57 C ATOM 40 CD GLN A 4 7.828 10.910 12.221 1.00 3.08 C ATOM 41 OE1 GLN A 4 8.494 11.314 11.269 1.00 3.23 O ATOM 42 NE2 GLN A 4 7.751 11.638 13.311 1.00 4.32 N ATOM 0 H GLN A 4 8.666 6.570 10.251 1.00 0.85 H new ATOM 0 HA GLN A 4 6.572 6.881 12.154 1.00 1.05 H new ATOM 0 HB2 GLN A 4 8.706 8.253 11.837 1.00 1.21 H new ATOM 0 HB3 GLN A 4 8.007 8.914 10.373 1.00 1.21 H new ATOM 0 HG2 GLN A 4 6.065 9.775 11.767 1.00 2.57 H new ATOM 0 HG3 GLN A 4 6.914 9.234 13.201 1.00 2.57 H new ATOM 0 HE21 GLN A 4 7.201 11.311 14.105 1.00 4.32 H new ATOM 0 HE22 GLN A 4 8.241 12.531 13.364 1.00 4.32 H new ATOM 51 N ILE A 5 5.760 7.463 9.025 1.00 1.07 N ATOM 52 CA ILE A 5 4.649 7.761 8.107 1.00 1.07 C ATOM 53 C ILE A 5 3.556 6.698 8.239 1.00 1.03 C ATOM 54 O ILE A 5 2.387 7.044 8.404 1.00 1.10 O ATOM 55 CB ILE A 5 5.147 7.927 6.652 1.00 1.07 C ATOM 56 CG1 ILE A 5 6.243 9.017 6.573 1.00 1.14 C ATOM 57 CG2 ILE A 5 3.951 8.287 5.747 1.00 1.16 C ATOM 58 CD1 ILE A 5 6.840 9.221 5.175 1.00 1.20 C ATOM 0 H ILE A 5 6.622 7.199 8.548 1.00 1.07 H new ATOM 0 HA ILE A 5 4.209 8.718 8.387 1.00 1.07 H new ATOM 0 HB ILE A 5 5.586 6.990 6.310 1.00 1.07 H new ATOM 0 HG12 ILE A 5 5.822 9.962 6.916 1.00 1.14 H new ATOM 0 HG13 ILE A 5 7.046 8.757 7.262 1.00 1.14 H new ATOM 0 HG21 ILE A 5 4.295 8.406 4.720 1.00 1.16 H new ATOM 0 HG22 ILE A 5 3.208 7.490 5.791 1.00 1.16 H new ATOM 0 HG23 ILE A 5 3.503 9.220 6.090 1.00 1.16 H new ATOM 0 HD11 ILE A 5 7.599 10.003 5.214 1.00 1.20 H new ATOM 0 HD12 ILE A 5 7.294 8.291 4.834 1.00 1.20 H new ATOM 0 HD13 ILE A 5 6.052 9.515 4.482 1.00 1.20 H new ATOM 70 N PHE A 6 3.921 5.410 8.285 1.00 0.95 N ATOM 71 CA PHE A 6 2.950 4.348 8.531 1.00 0.93 C ATOM 72 C PHE A 6 2.284 4.521 9.903 1.00 0.95 C ATOM 73 O PHE A 6 1.058 4.484 9.999 1.00 1.01 O ATOM 74 CB PHE A 6 3.596 2.964 8.359 1.00 0.93 C ATOM 75 CG PHE A 6 2.573 1.850 8.221 1.00 1.12 C ATOM 76 CD1 PHE A 6 1.964 1.297 9.363 1.00 1.58 C ATOM 77 CD2 PHE A 6 2.179 1.403 6.944 1.00 1.89 C ATOM 78 CE1 PHE A 6 0.957 0.324 9.231 1.00 1.79 C ATOM 79 CE2 PHE A 6 1.172 0.430 6.809 1.00 2.26 C ATOM 80 CZ PHE A 6 0.559 -0.109 7.954 1.00 1.86 C ATOM 0 H PHE A 6 4.879 5.084 8.155 1.00 0.95 H new ATOM 0 HA PHE A 6 2.158 4.421 7.785 1.00 0.93 H new ATOM 0 HB2 PHE A 6 4.237 2.974 7.477 1.00 0.93 H new ATOM 0 HB3 PHE A 6 4.237 2.758 9.216 1.00 0.93 H new ATOM 0 HD1 PHE A 6 2.272 1.622 10.346 1.00 1.58 H new ATOM 0 HD2 PHE A 6 2.653 1.810 6.063 1.00 1.89 H new ATOM 0 HE1 PHE A 6 0.489 -0.091 10.111 1.00 1.79 H new ATOM 0 HE2 PHE A 6 0.870 0.097 5.827 1.00 2.26 H new ATOM 0 HZ PHE A 6 -0.216 -0.854 7.853 1.00 1.86 H new ATOM 90 N ARG A 7 3.077 4.818 10.941 1.00 0.96 N ATOM 91 CA ARG A 7 2.623 5.024 12.330 1.00 1.08 C ATOM 92 C ARG A 7 1.693 6.236 12.526 1.00 1.20 C ATOM 93 O ARG A 7 0.994 6.295 13.536 1.00 1.37 O ATOM 94 CB ARG A 7 3.890 5.118 13.204 1.00 1.14 C ATOM 95 CG ARG A 7 3.643 4.898 14.703 1.00 1.46 C ATOM 96 CD ARG A 7 4.980 4.877 15.453 1.00 1.84 C ATOM 97 NE ARG A 7 4.794 4.560 16.878 1.00 2.51 N ATOM 98 CZ ARG A 7 5.347 5.205 17.923 1.00 3.45 C ATOM 99 NH1 ARG A 7 6.144 6.273 17.762 1.00 4.58 N ATOM 100 NH2 ARG A 7 5.093 4.766 19.163 1.00 4.18 N ATOM 0 H ARG A 7 4.086 4.926 10.838 1.00 0.96 H new ATOM 0 HA ARG A 7 1.998 4.181 12.624 1.00 1.08 H new ATOM 0 HB2 ARG A 7 4.613 4.381 12.855 1.00 1.14 H new ATOM 0 HB3 ARG A 7 4.342 6.100 13.063 1.00 1.14 H new ATOM 0 HG2 ARG A 7 3.008 5.691 15.096 1.00 1.46 H new ATOM 0 HG3 ARG A 7 3.113 3.958 14.859 1.00 1.46 H new ATOM 0 HD2 ARG A 7 5.642 4.140 14.999 1.00 1.84 H new ATOM 0 HD3 ARG A 7 5.468 5.847 15.356 1.00 1.84 H new ATOM 0 HE ARG A 7 4.184 3.772 17.096 1.00 2.51 H new ATOM 0 HH11 ARG A 7 6.348 6.621 16.825 1.00 4.58 H new ATOM 0 HH12 ARG A 7 6.546 6.737 18.577 1.00 4.58 H new ATOM 0 HH21 ARG A 7 4.490 3.956 19.304 1.00 4.18 H new ATOM 0 HH22 ARG A 7 5.503 5.242 19.967 1.00 4.18 H new ATOM 114 N THR A 8 1.674 7.192 11.590 1.00 1.24 N ATOM 115 CA THR A 8 0.875 8.436 11.672 1.00 1.40 C ATOM 116 C THR A 8 -0.250 8.562 10.635 1.00 1.41 C ATOM 117 O THR A 8 -1.235 9.260 10.902 1.00 1.58 O ATOM 118 CB THR A 8 1.777 9.680 11.593 1.00 1.46 C ATOM 119 OG1 THR A 8 2.641 9.598 10.483 1.00 1.49 O ATOM 120 CG2 THR A 8 2.650 9.848 12.838 1.00 1.63 C ATOM 0 H THR A 8 2.223 7.128 10.733 1.00 1.24 H new ATOM 0 HA THR A 8 0.386 8.373 12.644 1.00 1.40 H new ATOM 0 HB THR A 8 1.104 10.533 11.506 1.00 1.46 H new ATOM 0 HG1 THR A 8 3.350 8.947 10.668 1.00 1.49 H new ATOM 0 HG21 THR A 8 3.267 10.740 12.732 1.00 1.63 H new ATOM 0 HG22 THR A 8 2.014 9.949 13.717 1.00 1.63 H new ATOM 0 HG23 THR A 8 3.292 8.974 12.953 1.00 1.63 H new ATOM 128 N ARG A 9 -0.142 7.911 9.465 1.00 1.30 N ATOM 129 CA ARG A 9 -1.113 8.013 8.351 1.00 1.36 C ATOM 130 C ARG A 9 -1.612 6.669 7.785 1.00 1.10 C ATOM 131 O ARG A 9 -2.464 6.678 6.901 1.00 1.16 O ATOM 132 CB ARG A 9 -0.521 8.908 7.246 1.00 1.57 C ATOM 133 CG ARG A 9 -0.674 10.394 7.610 1.00 2.40 C ATOM 134 CD ARG A 9 -0.042 11.313 6.559 1.00 1.68 C ATOM 135 NE ARG A 9 1.425 11.307 6.655 1.00 1.99 N ATOM 136 CZ ARG A 9 2.259 12.012 5.871 1.00 2.48 C ATOM 137 NH1 ARG A 9 1.808 12.754 4.847 1.00 2.61 N ATOM 138 NH2 ARG A 9 3.573 11.974 6.120 1.00 4.02 N ATOM 0 H ARG A 9 0.637 7.285 9.258 1.00 1.30 H new ATOM 0 HA ARG A 9 -2.013 8.465 8.769 1.00 1.36 H new ATOM 0 HB2 ARG A 9 0.533 8.670 7.104 1.00 1.57 H new ATOM 0 HB3 ARG A 9 -1.023 8.707 6.300 1.00 1.57 H new ATOM 0 HG2 ARG A 9 -1.732 10.635 7.712 1.00 2.40 H new ATOM 0 HG3 ARG A 9 -0.210 10.579 8.579 1.00 2.40 H new ATOM 0 HD2 ARG A 9 -0.344 10.991 5.563 1.00 1.68 H new ATOM 0 HD3 ARG A 9 -0.413 12.329 6.692 1.00 1.68 H new ATOM 0 HE ARG A 9 1.845 10.720 7.376 1.00 1.99 H new ATOM 0 HH11 ARG A 9 0.809 12.793 4.647 1.00 2.61 H new ATOM 0 HH12 ARG A 9 2.465 13.279 4.269 1.00 2.61 H new ATOM 0 HH21 ARG A 9 3.929 11.416 6.896 1.00 4.02 H new ATOM 0 HH22 ARG A 9 4.219 12.503 5.534 1.00 4.02 H new ATOM 152 N CYS A 10 -1.140 5.519 8.280 1.00 1.02 N ATOM 153 CA CYS A 10 -1.500 4.200 7.717 1.00 0.95 C ATOM 154 C CYS A 10 -1.862 3.109 8.742 1.00 0.98 C ATOM 155 O CYS A 10 -2.506 2.124 8.368 1.00 1.03 O ATOM 156 CB CYS A 10 -0.345 3.675 6.859 1.00 0.95 C ATOM 157 SG CYS A 10 0.462 4.837 5.713 1.00 1.09 S ATOM 0 H CYS A 10 -0.503 5.469 9.075 1.00 1.02 H new ATOM 0 HA CYS A 10 -2.405 4.389 7.140 1.00 0.95 H new ATOM 0 HB2 CYS A 10 0.419 3.283 7.530 1.00 0.95 H new ATOM 0 HB3 CYS A 10 -0.718 2.834 6.275 1.00 0.95 H new ATOM 162 N SER A 11 -1.474 3.249 10.012 1.00 1.08 N ATOM 163 CA SER A 11 -1.627 2.245 11.084 1.00 1.20 C ATOM 164 C SER A 11 -3.032 2.163 11.708 1.00 1.26 C ATOM 165 O SER A 11 -3.211 1.598 12.791 1.00 2.12 O ATOM 166 CB SER A 11 -0.564 2.479 12.162 1.00 1.41 C ATOM 167 OG SER A 11 -0.718 3.763 12.735 1.00 2.00 O ATOM 0 H SER A 11 -1.023 4.102 10.343 1.00 1.08 H new ATOM 0 HA SER A 11 -1.484 1.275 10.607 1.00 1.20 H new ATOM 0 HB2 SER A 11 -0.647 1.716 12.936 1.00 1.41 H new ATOM 0 HB3 SER A 11 0.431 2.385 11.727 1.00 1.41 H new ATOM 0 HG SER A 11 -0.033 3.898 13.423 1.00 2.00 H new ATOM 173 N SER A 12 -4.026 2.744 11.036 1.00 1.36 N ATOM 174 CA SER A 12 -5.445 2.835 11.408 1.00 1.44 C ATOM 175 C SER A 12 -6.329 1.725 10.815 1.00 1.27 C ATOM 176 O SER A 12 -7.488 1.583 11.213 1.00 1.48 O ATOM 177 CB SER A 12 -5.947 4.199 10.924 1.00 1.88 C ATOM 178 OG SER A 12 -5.590 4.377 9.562 1.00 3.40 O ATOM 0 H SER A 12 -3.848 3.202 10.142 1.00 1.36 H new ATOM 0 HA SER A 12 -5.516 2.714 12.489 1.00 1.44 H new ATOM 0 HB2 SER A 12 -7.029 4.262 11.039 1.00 1.88 H new ATOM 0 HB3 SER A 12 -5.515 4.994 11.531 1.00 1.88 H new ATOM 0 HG SER A 12 -6.155 3.808 8.999 1.00 3.40 H new ATOM 184 N CYS A 13 -5.796 0.950 9.863 1.00 1.11 N ATOM 185 CA CYS A 13 -6.537 -0.078 9.108 1.00 1.07 C ATOM 186 C CYS A 13 -5.769 -1.403 8.915 1.00 1.18 C ATOM 187 O CYS A 13 -6.381 -2.434 8.635 1.00 1.45 O ATOM 188 CB CYS A 13 -6.914 0.502 7.735 1.00 1.03 C ATOM 189 SG CYS A 13 -7.872 2.054 7.766 1.00 0.82 S ATOM 0 H CYS A 13 -4.816 1.018 9.587 1.00 1.11 H new ATOM 0 HA CYS A 13 -7.418 -0.330 9.699 1.00 1.07 H new ATOM 0 HB2 CYS A 13 -5.998 0.674 7.170 1.00 1.03 H new ATOM 0 HB3 CYS A 13 -7.489 -0.247 7.190 1.00 1.03 H new ATOM 194 N HIS A 14 -4.439 -1.389 9.059 1.00 1.16 N ATOM 195 CA HIS A 14 -3.515 -2.526 8.901 1.00 1.21 C ATOM 196 C HIS A 14 -2.264 -2.337 9.777 1.00 0.90 C ATOM 197 O HIS A 14 -1.988 -1.237 10.266 1.00 1.14 O ATOM 198 CB HIS A 14 -3.088 -2.746 7.423 1.00 1.83 C ATOM 199 CG HIS A 14 -3.119 -1.551 6.508 1.00 0.72 C ATOM 200 ND1 HIS A 14 -2.780 -0.267 6.829 1.00 1.93 N ATOM 201 CD2 HIS A 14 -3.490 -1.573 5.192 1.00 1.43 C ATOM 202 CE1 HIS A 14 -2.981 0.480 5.737 1.00 2.32 C ATOM 203 NE2 HIS A 14 -3.419 -0.257 4.688 1.00 0.65 N ATOM 0 H HIS A 14 -3.945 -0.531 9.304 1.00 1.16 H new ATOM 0 HA HIS A 14 -4.058 -3.414 9.225 1.00 1.21 H new ATOM 0 HB2 HIS A 14 -2.074 -3.145 7.421 1.00 1.83 H new ATOM 0 HB3 HIS A 14 -3.734 -3.514 6.997 1.00 1.83 H new ATOM 0 HD1 HIS A 14 -2.438 0.061 7.732 1.00 1.93 H new ATOM 0 HD2 HIS A 14 -3.787 -2.448 4.634 1.00 1.43 H new ATOM 0 HE1 HIS A 14 -2.814 1.546 5.697 1.00 2.32 H new ATOM 211 N THR A 15 -1.464 -3.401 9.869 1.00 0.84 N ATOM 212 CA THR A 15 -0.151 -3.407 10.542 1.00 0.78 C ATOM 213 C THR A 15 0.944 -3.970 9.645 1.00 0.66 C ATOM 214 O THR A 15 0.675 -4.713 8.704 1.00 0.78 O ATOM 215 CB THR A 15 -0.128 -4.188 11.869 1.00 1.05 C ATOM 216 OG1 THR A 15 -0.369 -5.566 11.698 1.00 1.59 O ATOM 217 CG2 THR A 15 -1.096 -3.676 12.924 1.00 1.35 C ATOM 0 H THR A 15 -1.711 -4.307 9.470 1.00 0.84 H new ATOM 0 HA THR A 15 0.037 -2.356 10.763 1.00 0.78 H new ATOM 0 HB THR A 15 0.888 -4.023 12.226 1.00 1.05 H new ATOM 0 HG1 THR A 15 0.478 -6.027 11.523 1.00 1.59 H new ATOM 0 HG21 THR A 15 -1.010 -4.286 13.823 1.00 1.35 H new ATOM 0 HG22 THR A 15 -0.858 -2.640 13.164 1.00 1.35 H new ATOM 0 HG23 THR A 15 -2.115 -3.735 12.542 1.00 1.35 H new ATOM 225 N VAL A 16 2.197 -3.637 9.957 1.00 0.74 N ATOM 226 CA VAL A 16 3.386 -4.235 9.337 1.00 0.75 C ATOM 227 C VAL A 16 4.163 -4.988 10.418 1.00 1.05 C ATOM 228 O VAL A 16 5.113 -4.488 11.020 1.00 1.38 O ATOM 229 CB VAL A 16 4.207 -3.195 8.552 1.00 0.87 C ATOM 230 CG1 VAL A 16 5.187 -3.902 7.606 1.00 1.31 C ATOM 231 CG2 VAL A 16 3.285 -2.290 7.714 1.00 1.53 C ATOM 0 H VAL A 16 2.421 -2.932 10.660 1.00 0.74 H new ATOM 0 HA VAL A 16 3.102 -4.961 8.575 1.00 0.75 H new ATOM 0 HB VAL A 16 4.754 -2.587 9.273 1.00 0.87 H new ATOM 0 HG11 VAL A 16 5.763 -3.158 7.056 1.00 1.31 H new ATOM 0 HG12 VAL A 16 5.865 -4.529 8.186 1.00 1.31 H new ATOM 0 HG13 VAL A 16 4.631 -4.523 6.903 1.00 1.31 H new ATOM 0 HG21 VAL A 16 3.887 -1.563 7.168 1.00 1.53 H new ATOM 0 HG22 VAL A 16 2.722 -2.899 7.007 1.00 1.53 H new ATOM 0 HG23 VAL A 16 2.593 -1.766 8.373 1.00 1.53 H new ATOM 241 N GLY A 17 3.673 -6.190 10.714 1.00 1.22 N ATOM 242 CA GLY A 17 4.213 -7.124 11.707 1.00 1.60 C ATOM 243 C GLY A 17 3.658 -6.999 13.135 1.00 1.84 C ATOM 244 O GLY A 17 3.904 -7.895 13.944 1.00 1.96 O ATOM 0 H GLY A 17 2.846 -6.560 10.245 1.00 1.22 H new ATOM 0 HA2 GLY A 17 4.029 -8.140 11.357 1.00 1.60 H new ATOM 0 HA3 GLY A 17 5.294 -6.992 11.748 1.00 1.60 H new ATOM 248 N ASN A 18 2.898 -5.950 13.478 1.00 2.21 N ATOM 249 CA ASN A 18 2.420 -5.754 14.860 1.00 2.63 C ATOM 250 C ASN A 18 1.251 -6.686 15.248 1.00 2.52 C ATOM 251 O ASN A 18 1.222 -7.157 16.388 1.00 3.41 O ATOM 252 CB ASN A 18 2.097 -4.272 15.125 1.00 3.08 C ATOM 253 CG ASN A 18 3.301 -3.370 14.936 1.00 3.95 C ATOM 254 OD1 ASN A 18 3.420 -2.666 13.939 1.00 5.15 O ATOM 255 ND2 ASN A 18 4.235 -3.370 15.851 1.00 4.29 N ATOM 0 H ASN A 18 2.601 -5.226 12.824 1.00 2.21 H new ATOM 0 HA ASN A 18 3.241 -6.043 15.516 1.00 2.63 H new ATOM 0 HB2 ASN A 18 1.299 -3.952 14.454 1.00 3.08 H new ATOM 0 HB3 ASN A 18 1.721 -4.162 16.142 1.00 3.08 H new ATOM 0 HD21 ASN A 18 5.062 -2.785 15.735 1.00 4.29 H new ATOM 0 HD22 ASN A 18 4.136 -3.955 16.680 1.00 4.29 H new ATOM 262 N THR A 19 0.335 -7.012 14.327 1.00 2.39 N ATOM 263 CA THR A 19 -0.746 -8.004 14.528 1.00 2.80 C ATOM 264 C THR A 19 -0.425 -9.312 13.788 1.00 3.63 C ATOM 265 O THR A 19 0.322 -9.307 12.809 1.00 4.74 O ATOM 266 CB THR A 19 -2.108 -7.446 14.084 1.00 4.13 C ATOM 267 OG1 THR A 19 -2.363 -6.221 14.729 1.00 5.41 O ATOM 268 CG2 THR A 19 -3.312 -8.311 14.458 1.00 5.05 C ATOM 0 H THR A 19 0.319 -6.588 13.399 1.00 2.39 H new ATOM 0 HA THR A 19 -0.808 -8.218 15.595 1.00 2.80 H new ATOM 0 HB THR A 19 -2.018 -7.382 13.000 1.00 4.13 H new ATOM 0 HG1 THR A 19 -3.232 -5.873 14.438 1.00 5.41 H new ATOM 0 HG21 THR A 19 -4.226 -7.835 14.103 1.00 5.05 H new ATOM 0 HG22 THR A 19 -3.211 -9.293 13.997 1.00 5.05 H new ATOM 0 HG23 THR A 19 -3.358 -8.422 15.541 1.00 5.05 H new ATOM 276 N GLU A 20 -0.976 -10.455 14.213 1.00 4.57 N ATOM 277 CA GLU A 20 -0.858 -11.724 13.472 1.00 6.54 C ATOM 278 C GLU A 20 -1.673 -11.723 12.152 1.00 7.20 C ATOM 279 O GLU A 20 -2.742 -11.105 12.081 1.00 6.37 O ATOM 280 CB GLU A 20 -1.277 -12.903 14.369 1.00 7.98 C ATOM 281 CG GLU A 20 -0.363 -13.104 15.590 1.00 8.59 C ATOM 282 CD GLU A 20 1.097 -13.411 15.240 1.00 10.07 C ATOM 283 OE1 GLU A 20 1.380 -14.129 14.249 1.00 11.42 O ATOM 284 OE2 GLU A 20 1.998 -12.940 15.975 1.00 10.30 O ATOM 0 H GLU A 20 -1.515 -10.530 15.076 1.00 4.57 H new ATOM 0 HA GLU A 20 0.189 -11.838 13.192 1.00 6.54 H new ATOM 0 HB2 GLU A 20 -2.299 -12.741 14.713 1.00 7.98 H new ATOM 0 HB3 GLU A 20 -1.282 -13.817 13.775 1.00 7.98 H new ATOM 0 HG2 GLU A 20 -0.396 -12.205 16.206 1.00 8.59 H new ATOM 0 HG3 GLU A 20 -0.759 -13.920 16.195 1.00 8.59 H new ATOM 291 N PRO A 21 -1.224 -12.429 11.093 1.00 9.13 N ATOM 292 CA PRO A 21 -1.879 -12.417 9.780 1.00 10.39 C ATOM 293 C PRO A 21 -3.263 -13.079 9.776 1.00 10.82 C ATOM 294 O PRO A 21 -4.116 -12.701 8.973 1.00 11.56 O ATOM 295 CB PRO A 21 -0.921 -13.167 8.845 1.00 12.51 C ATOM 296 CG PRO A 21 -0.192 -14.124 9.784 1.00 12.57 C ATOM 297 CD PRO A 21 -0.033 -13.269 11.038 1.00 10.49 C ATOM 0 HA PRO A 21 -2.066 -11.390 9.467 1.00 10.39 H new ATOM 0 HB2 PRO A 21 -1.459 -13.703 8.063 1.00 12.51 H new ATOM 0 HB3 PRO A 21 -0.230 -12.487 8.348 1.00 12.51 H new ATOM 0 HG2 PRO A 21 -0.770 -15.028 9.976 1.00 12.57 H new ATOM 0 HG3 PRO A 21 0.770 -14.440 9.380 1.00 12.57 H new ATOM 0 HD2 PRO A 21 0.049 -13.891 11.929 1.00 10.49 H new ATOM 0 HD3 PRO A 21 0.872 -12.663 10.988 1.00 10.49 H new ATOM 305 N GLY A 22 -3.510 -14.043 10.670 1.00 10.77 N ATOM 306 CA GLY A 22 -4.774 -14.782 10.742 1.00 11.50 C ATOM 307 C GLY A 22 -5.955 -13.995 11.328 1.00 10.23 C ATOM 308 O GLY A 22 -7.079 -14.508 11.328 1.00 10.52 O ATOM 0 H GLY A 22 -2.830 -14.335 11.372 1.00 10.77 H new ATOM 0 HA2 GLY A 22 -5.041 -15.114 9.739 1.00 11.50 H new ATOM 0 HA3 GLY A 22 -4.620 -15.678 11.344 1.00 11.50 H new ATOM 312 N GLN A 23 -5.724 -12.778 11.838 1.00 9.23 N ATOM 313 CA GLN A 23 -6.695 -11.995 12.614 1.00 8.29 C ATOM 314 C GLN A 23 -6.786 -10.540 12.092 1.00 6.99 C ATOM 315 O GLN A 23 -6.188 -9.630 12.679 1.00 6.59 O ATOM 316 CB GLN A 23 -6.325 -12.086 14.112 1.00 8.86 C ATOM 317 CG GLN A 23 -6.336 -13.543 14.624 1.00 10.24 C ATOM 318 CD GLN A 23 -6.026 -13.702 16.108 1.00 11.32 C ATOM 319 OE1 GLN A 23 -5.845 -12.753 16.862 1.00 11.43 O ATOM 320 NE2 GLN A 23 -5.938 -14.925 16.576 1.00 12.54 N ATOM 0 H GLN A 23 -4.832 -12.298 11.719 1.00 9.23 H new ATOM 0 HA GLN A 23 -7.696 -12.409 12.491 1.00 8.29 H new ATOM 0 HB2 GLN A 23 -5.336 -11.655 14.268 1.00 8.86 H new ATOM 0 HB3 GLN A 23 -7.028 -11.491 14.696 1.00 8.86 H new ATOM 0 HG2 GLN A 23 -7.316 -13.976 14.424 1.00 10.24 H new ATOM 0 HG3 GLN A 23 -5.609 -14.120 14.052 1.00 10.24 H new ATOM 0 HE21 GLN A 23 -6.087 -15.721 15.955 1.00 12.54 H new ATOM 0 HE22 GLN A 23 -5.720 -15.080 17.560 1.00 12.54 H new ATOM 329 N PRO A 24 -7.481 -10.298 10.963 1.00 6.76 N ATOM 330 CA PRO A 24 -7.628 -8.967 10.366 1.00 5.83 C ATOM 331 C PRO A 24 -8.754 -8.135 11.008 1.00 4.89 C ATOM 332 O PRO A 24 -9.747 -8.677 11.503 1.00 5.31 O ATOM 333 CB PRO A 24 -7.920 -9.237 8.885 1.00 6.81 C ATOM 334 CG PRO A 24 -8.721 -10.539 8.929 1.00 8.00 C ATOM 335 CD PRO A 24 -8.084 -11.301 10.092 1.00 7.94 C ATOM 0 HA PRO A 24 -6.728 -8.371 10.521 1.00 5.83 H new ATOM 0 HB2 PRO A 24 -8.490 -8.427 8.431 1.00 6.81 H new ATOM 0 HB3 PRO A 24 -7.003 -9.346 8.305 1.00 6.81 H new ATOM 0 HG2 PRO A 24 -9.781 -10.354 9.101 1.00 8.00 H new ATOM 0 HG3 PRO A 24 -8.642 -11.092 7.993 1.00 8.00 H new ATOM 0 HD2 PRO A 24 -8.832 -11.883 10.630 1.00 7.94 H new ATOM 0 HD3 PRO A 24 -7.333 -12.003 9.731 1.00 7.94 H new ATOM 343 N GLY A 25 -8.630 -6.807 10.916 1.00 4.25 N ATOM 344 CA GLY A 25 -9.693 -5.813 11.120 1.00 3.72 C ATOM 345 C GLY A 25 -10.255 -5.372 9.766 1.00 3.04 C ATOM 346 O GLY A 25 -10.918 -6.168 9.094 1.00 3.52 O ATOM 0 H GLY A 25 -7.737 -6.371 10.685 1.00 4.25 H new ATOM 0 HA2 GLY A 25 -10.488 -6.237 11.734 1.00 3.72 H new ATOM 0 HA3 GLY A 25 -9.300 -4.951 11.659 1.00 3.72 H new ATOM 350 N ILE A 26 -9.935 -4.154 9.314 1.00 2.23 N ATOM 351 CA ILE A 26 -10.079 -3.761 7.898 1.00 2.06 C ATOM 352 C ILE A 26 -9.123 -4.596 7.032 1.00 2.60 C ATOM 353 O ILE A 26 -9.570 -5.289 6.113 1.00 3.72 O ATOM 354 CB ILE A 26 -9.850 -2.236 7.712 1.00 1.73 C ATOM 355 CG1 ILE A 26 -11.061 -1.443 8.248 1.00 2.26 C ATOM 356 CG2 ILE A 26 -9.612 -1.866 6.232 1.00 2.09 C ATOM 357 CD1 ILE A 26 -10.782 0.053 8.441 1.00 2.32 C ATOM 0 H ILE A 26 -9.570 -3.413 9.912 1.00 2.23 H new ATOM 0 HA ILE A 26 -11.100 -3.964 7.574 1.00 2.06 H new ATOM 0 HB ILE A 26 -8.956 -1.973 8.277 1.00 1.73 H new ATOM 0 HG12 ILE A 26 -11.896 -1.562 7.558 1.00 2.26 H new ATOM 0 HG13 ILE A 26 -11.372 -1.871 9.201 1.00 2.26 H new ATOM 0 HG21 ILE A 26 -9.456 -0.791 6.146 1.00 2.09 H new ATOM 0 HG22 ILE A 26 -8.731 -2.391 5.863 1.00 2.09 H new ATOM 0 HG23 ILE A 26 -10.481 -2.155 5.640 1.00 2.09 H new ATOM 0 HD11 ILE A 26 -11.678 0.544 8.820 1.00 2.32 H new ATOM 0 HD12 ILE A 26 -9.968 0.182 9.155 1.00 2.32 H new ATOM 0 HD13 ILE A 26 -10.501 0.497 7.486 1.00 2.32 H new ATOM 369 N GLY A 27 -7.824 -4.547 7.339 1.00 2.11 N ATOM 370 CA GLY A 27 -6.748 -5.227 6.615 1.00 2.80 C ATOM 371 C GLY A 27 -5.970 -6.242 7.469 1.00 1.88 C ATOM 372 O GLY A 27 -6.102 -6.247 8.699 1.00 1.76 O ATOM 0 H GLY A 27 -7.479 -4.009 8.134 1.00 2.11 H new ATOM 0 HA2 GLY A 27 -7.172 -5.741 5.752 1.00 2.80 H new ATOM 0 HA3 GLY A 27 -6.053 -4.480 6.231 1.00 2.80 H new ATOM 376 N PRO A 28 -5.159 -7.109 6.831 1.00 2.08 N ATOM 377 CA PRO A 28 -4.311 -8.106 7.485 1.00 2.09 C ATOM 378 C PRO A 28 -2.977 -7.503 7.977 1.00 1.90 C ATOM 379 O PRO A 28 -2.821 -6.286 8.100 1.00 1.87 O ATOM 380 CB PRO A 28 -4.125 -9.173 6.390 1.00 3.06 C ATOM 381 CG PRO A 28 -4.011 -8.330 5.123 1.00 3.50 C ATOM 382 CD PRO A 28 -5.017 -7.209 5.379 1.00 2.97 C ATOM 0 HA PRO A 28 -4.750 -8.517 8.394 1.00 2.09 H new ATOM 0 HB2 PRO A 28 -3.232 -9.776 6.558 1.00 3.06 H new ATOM 0 HB3 PRO A 28 -4.970 -9.860 6.345 1.00 3.06 H new ATOM 0 HG2 PRO A 28 -3.001 -7.944 4.982 1.00 3.50 H new ATOM 0 HG3 PRO A 28 -4.261 -8.903 4.230 1.00 3.50 H new ATOM 0 HD2 PRO A 28 -4.666 -6.267 4.957 1.00 2.97 H new ATOM 0 HD3 PRO A 28 -5.975 -7.431 4.909 1.00 2.97 H new ATOM 390 N ASP A 29 -2.005 -8.357 8.288 1.00 1.99 N ATOM 391 CA ASP A 29 -0.582 -7.991 8.355 1.00 1.72 C ATOM 392 C ASP A 29 -0.008 -7.838 6.929 1.00 1.60 C ATOM 393 O ASP A 29 -0.340 -8.622 6.034 1.00 2.00 O ATOM 394 CB ASP A 29 0.159 -9.065 9.171 1.00 1.96 C ATOM 395 CG ASP A 29 1.681 -8.890 9.242 1.00 2.26 C ATOM 396 OD1 ASP A 29 2.192 -7.773 9.012 1.00 2.89 O ATOM 397 OD2 ASP A 29 2.379 -9.905 9.488 1.00 3.00 O ATOM 0 H ASP A 29 -2.180 -9.338 8.505 1.00 1.99 H new ATOM 0 HA ASP A 29 -0.452 -7.030 8.852 1.00 1.72 H new ATOM 0 HB2 ASP A 29 -0.239 -9.068 10.186 1.00 1.96 H new ATOM 0 HB3 ASP A 29 -0.060 -10.042 8.740 1.00 1.96 H new ATOM 402 N LEU A 30 0.857 -6.845 6.712 1.00 1.18 N ATOM 403 CA LEU A 30 1.522 -6.563 5.431 1.00 1.24 C ATOM 404 C LEU A 30 2.975 -7.077 5.359 1.00 1.14 C ATOM 405 O LEU A 30 3.614 -6.957 4.311 1.00 1.29 O ATOM 406 CB LEU A 30 1.465 -5.050 5.139 1.00 1.22 C ATOM 407 CG LEU A 30 0.090 -4.377 5.304 1.00 1.34 C ATOM 408 CD1 LEU A 30 0.194 -2.901 4.907 1.00 1.49 C ATOM 409 CD2 LEU A 30 -1.001 -5.013 4.440 1.00 1.89 C ATOM 0 H LEU A 30 1.125 -6.190 7.447 1.00 1.18 H new ATOM 0 HA LEU A 30 0.976 -7.114 4.665 1.00 1.24 H new ATOM 0 HB2 LEU A 30 2.174 -4.547 5.797 1.00 1.22 H new ATOM 0 HB3 LEU A 30 1.807 -4.885 4.117 1.00 1.22 H new ATOM 0 HG LEU A 30 -0.189 -4.501 6.350 1.00 1.34 H new ATOM 0 HD11 LEU A 30 -0.779 -2.423 5.023 1.00 1.49 H new ATOM 0 HD12 LEU A 30 0.922 -2.402 5.547 1.00 1.49 H new ATOM 0 HD13 LEU A 30 0.513 -2.825 3.868 1.00 1.49 H new ATOM 0 HD21 LEU A 30 -1.944 -4.492 4.604 1.00 1.89 H new ATOM 0 HD22 LEU A 30 -0.723 -4.938 3.389 1.00 1.89 H new ATOM 0 HD23 LEU A 30 -1.114 -6.063 4.711 1.00 1.89 H new ATOM 421 N LEU A 31 3.542 -7.629 6.435 1.00 1.08 N ATOM 422 CA LEU A 31 4.929 -8.109 6.427 1.00 1.08 C ATOM 423 C LEU A 31 5.114 -9.288 5.458 1.00 1.41 C ATOM 424 O LEU A 31 4.416 -10.304 5.523 1.00 2.20 O ATOM 425 CB LEU A 31 5.381 -8.402 7.847 1.00 1.15 C ATOM 426 CG LEU A 31 6.866 -8.764 8.040 1.00 1.44 C ATOM 427 CD1 LEU A 31 7.850 -7.896 7.250 1.00 2.51 C ATOM 428 CD2 LEU A 31 7.183 -8.529 9.509 1.00 2.86 C ATOM 0 H LEU A 31 3.061 -7.755 7.326 1.00 1.08 H new ATOM 0 HA LEU A 31 5.582 -7.325 6.043 1.00 1.08 H new ATOM 0 HB2 LEU A 31 5.161 -7.529 8.461 1.00 1.15 H new ATOM 0 HB3 LEU A 31 4.778 -9.223 8.233 1.00 1.15 H new ATOM 0 HG LEU A 31 6.987 -9.790 7.692 1.00 1.44 H new ATOM 0 HD11 LEU A 31 8.869 -8.227 7.451 1.00 2.51 H new ATOM 0 HD12 LEU A 31 7.642 -7.988 6.184 1.00 2.51 H new ATOM 0 HD13 LEU A 31 7.740 -6.855 7.552 1.00 2.51 H new ATOM 0 HD21 LEU A 31 8.228 -8.772 9.699 1.00 2.86 H new ATOM 0 HD22 LEU A 31 7.003 -7.483 9.757 1.00 2.86 H new ATOM 0 HD23 LEU A 31 6.545 -9.163 10.125 1.00 2.86 H new ATOM 440 N GLY A 32 6.073 -9.099 4.554 1.00 1.14 N ATOM 441 CA GLY A 32 6.363 -9.934 3.376 1.00 1.18 C ATOM 442 C GLY A 32 5.675 -9.514 2.069 1.00 1.07 C ATOM 443 O GLY A 32 6.146 -9.912 1.004 1.00 1.04 O ATOM 0 H GLY A 32 6.714 -8.308 4.624 1.00 1.14 H new ATOM 0 HA2 GLY A 32 7.441 -9.935 3.212 1.00 1.18 H new ATOM 0 HA3 GLY A 32 6.074 -10.960 3.602 1.00 1.18 H new ATOM 447 N VAL A 33 4.643 -8.656 2.085 1.00 1.08 N ATOM 448 CA VAL A 33 3.807 -8.386 0.889 1.00 1.09 C ATOM 449 C VAL A 33 4.602 -7.836 -0.310 1.00 0.94 C ATOM 450 O VAL A 33 4.320 -8.175 -1.459 1.00 0.98 O ATOM 451 CB VAL A 33 2.604 -7.488 1.260 1.00 1.26 C ATOM 452 CG1 VAL A 33 2.941 -5.992 1.357 1.00 1.55 C ATOM 453 CG2 VAL A 33 1.459 -7.645 0.260 1.00 1.81 C ATOM 0 H VAL A 33 4.361 -8.132 2.913 1.00 1.08 H new ATOM 0 HA VAL A 33 3.423 -9.348 0.549 1.00 1.09 H new ATOM 0 HB VAL A 33 2.308 -7.834 2.251 1.00 1.26 H new ATOM 0 HG11 VAL A 33 2.043 -5.433 1.621 1.00 1.55 H new ATOM 0 HG12 VAL A 33 3.702 -5.839 2.123 1.00 1.55 H new ATOM 0 HG13 VAL A 33 3.317 -5.641 0.396 1.00 1.55 H new ATOM 0 HG21 VAL A 33 0.630 -7.000 0.551 1.00 1.81 H new ATOM 0 HG22 VAL A 33 1.804 -7.365 -0.735 1.00 1.81 H new ATOM 0 HG23 VAL A 33 1.125 -8.682 0.250 1.00 1.81 H new ATOM 463 N THR A 34 5.667 -7.071 -0.052 1.00 0.87 N ATOM 464 CA THR A 34 6.602 -6.558 -1.075 1.00 0.89 C ATOM 465 C THR A 34 7.268 -7.669 -1.895 1.00 0.85 C ATOM 466 O THR A 34 7.420 -7.510 -3.105 1.00 1.06 O ATOM 467 CB THR A 34 7.661 -5.639 -0.440 1.00 1.07 C ATOM 468 OG1 THR A 34 8.610 -5.215 -1.392 1.00 1.81 O ATOM 469 CG2 THR A 34 8.410 -6.272 0.735 1.00 2.04 C ATOM 0 H THR A 34 5.914 -6.781 0.894 1.00 0.87 H new ATOM 0 HA THR A 34 6.001 -5.976 -1.774 1.00 0.89 H new ATOM 0 HB THR A 34 7.094 -4.791 -0.057 1.00 1.07 H new ATOM 0 HG1 THR A 34 9.269 -4.632 -0.960 1.00 1.81 H new ATOM 0 HG21 THR A 34 9.138 -5.562 1.127 1.00 2.04 H new ATOM 0 HG22 THR A 34 7.700 -6.535 1.520 1.00 2.04 H new ATOM 0 HG23 THR A 34 8.926 -7.171 0.396 1.00 2.04 H new ATOM 477 N ARG A 35 7.586 -8.824 -1.295 1.00 0.91 N ATOM 478 CA ARG A 35 8.192 -9.969 -2.004 1.00 1.07 C ATOM 479 C ARG A 35 7.162 -10.954 -2.580 1.00 1.17 C ATOM 480 O ARG A 35 7.538 -12.036 -3.037 1.00 1.68 O ATOM 481 CB ARG A 35 9.319 -10.626 -1.182 1.00 1.28 C ATOM 482 CG ARG A 35 8.864 -11.361 0.088 1.00 1.62 C ATOM 483 CD ARG A 35 9.991 -12.212 0.687 1.00 2.55 C ATOM 484 NE ARG A 35 10.299 -13.377 -0.159 1.00 2.92 N ATOM 485 CZ ARG A 35 11.444 -14.083 -0.146 1.00 4.06 C ATOM 486 NH1 ARG A 35 12.452 -13.778 0.686 1.00 4.90 N ATOM 487 NH2 ARG A 35 11.580 -15.116 -0.987 1.00 5.01 N ATOM 0 H ARG A 35 7.431 -8.995 -0.301 1.00 0.91 H new ATOM 0 HA ARG A 35 8.678 -9.564 -2.892 1.00 1.07 H new ATOM 0 HB2 ARG A 35 9.847 -11.333 -1.821 1.00 1.28 H new ATOM 0 HB3 ARG A 35 10.036 -9.855 -0.899 1.00 1.28 H new ATOM 0 HG2 ARG A 35 8.525 -10.635 0.827 1.00 1.62 H new ATOM 0 HG3 ARG A 35 8.012 -11.999 -0.147 1.00 1.62 H new ATOM 0 HD2 ARG A 35 10.886 -11.601 0.805 1.00 2.55 H new ATOM 0 HD3 ARG A 35 9.702 -12.550 1.682 1.00 2.55 H new ATOM 0 HE ARG A 35 9.578 -13.676 -0.815 1.00 2.92 H new ATOM 0 HH11 ARG A 35 12.361 -12.993 1.331 1.00 4.90 H new ATOM 0 HH12 ARG A 35 13.309 -14.331 0.674 1.00 4.90 H new ATOM 0 HH21 ARG A 35 10.822 -15.357 -1.625 1.00 5.01 H new ATOM 0 HH22 ARG A 35 12.442 -15.661 -0.990 1.00 5.01 H new ATOM 501 N GLN A 36 5.877 -10.583 -2.547 1.00 0.95 N ATOM 502 CA GLN A 36 4.729 -11.397 -2.977 1.00 1.12 C ATOM 503 C GLN A 36 3.795 -10.689 -3.984 1.00 1.06 C ATOM 504 O GLN A 36 3.016 -11.378 -4.649 1.00 1.27 O ATOM 505 CB GLN A 36 3.939 -11.845 -1.730 1.00 1.30 C ATOM 506 CG GLN A 36 4.757 -12.777 -0.823 1.00 2.15 C ATOM 507 CD GLN A 36 4.006 -13.175 0.442 1.00 2.80 C ATOM 508 OE1 GLN A 36 4.169 -12.588 1.500 1.00 3.79 O ATOM 509 NE2 GLN A 36 3.194 -14.207 0.409 1.00 3.41 N ATOM 0 H GLN A 36 5.594 -9.665 -2.204 1.00 0.95 H new ATOM 0 HA GLN A 36 5.130 -12.257 -3.513 1.00 1.12 H new ATOM 0 HB2 GLN A 36 3.633 -10.966 -1.162 1.00 1.30 H new ATOM 0 HB3 GLN A 36 3.028 -12.355 -2.044 1.00 1.30 H new ATOM 0 HG2 GLN A 36 5.025 -13.675 -1.379 1.00 2.15 H new ATOM 0 HG3 GLN A 36 5.689 -12.283 -0.547 1.00 2.15 H new ATOM 0 HE21 GLN A 36 3.045 -14.711 -0.465 1.00 3.41 H new ATOM 0 HE22 GLN A 36 2.713 -14.505 1.258 1.00 3.41 H new ATOM 518 N ARG A 37 3.862 -9.353 -4.123 1.00 0.98 N ATOM 519 CA ARG A 37 3.088 -8.524 -5.077 1.00 1.08 C ATOM 520 C ARG A 37 3.971 -7.886 -6.157 1.00 1.08 C ATOM 521 O ARG A 37 5.155 -7.626 -5.934 1.00 1.69 O ATOM 522 CB ARG A 37 2.307 -7.437 -4.323 1.00 1.31 C ATOM 523 CG ARG A 37 1.249 -7.964 -3.346 1.00 1.85 C ATOM 524 CD ARG A 37 0.091 -8.702 -4.023 1.00 1.52 C ATOM 525 NE ARG A 37 -0.971 -8.997 -3.048 1.00 1.28 N ATOM 526 CZ ARG A 37 -1.590 -10.176 -2.857 1.00 1.47 C ATOM 527 NH1 ARG A 37 -1.298 -11.261 -3.592 1.00 2.12 N ATOM 528 NH2 ARG A 37 -2.523 -10.268 -1.899 1.00 1.59 N ATOM 0 H ARG A 37 4.487 -8.790 -3.546 1.00 0.98 H new ATOM 0 HA ARG A 37 2.391 -9.191 -5.586 1.00 1.08 H new ATOM 0 HB2 ARG A 37 3.015 -6.818 -3.771 1.00 1.31 H new ATOM 0 HB3 ARG A 37 1.818 -6.790 -5.051 1.00 1.31 H new ATOM 0 HG2 ARG A 37 1.729 -8.636 -2.635 1.00 1.85 H new ATOM 0 HG3 ARG A 37 0.848 -7.127 -2.774 1.00 1.85 H new ATOM 0 HD2 ARG A 37 -0.310 -8.095 -4.834 1.00 1.52 H new ATOM 0 HD3 ARG A 37 0.453 -9.629 -4.467 1.00 1.52 H new ATOM 0 HE ARG A 37 -1.270 -8.224 -2.453 1.00 1.28 H new ATOM 0 HH11 ARG A 37 -0.587 -11.207 -4.322 1.00 2.12 H new ATOM 0 HH12 ARG A 37 -1.787 -12.140 -3.421 1.00 2.12 H new ATOM 0 HH21 ARG A 37 -2.752 -9.453 -1.330 1.00 1.59 H new ATOM 0 HH22 ARG A 37 -3.004 -11.153 -1.739 1.00 1.59 H new ATOM 542 N ASP A 38 3.377 -7.575 -7.306 1.00 0.94 N ATOM 543 CA ASP A 38 4.063 -6.994 -8.469 1.00 0.97 C ATOM 544 C ASP A 38 4.574 -5.557 -8.211 1.00 1.06 C ATOM 545 O ASP A 38 3.838 -4.683 -7.741 1.00 1.24 O ATOM 546 CB ASP A 38 3.136 -7.075 -9.692 1.00 1.08 C ATOM 547 CG ASP A 38 2.924 -8.523 -10.142 1.00 2.58 C ATOM 548 OD1 ASP A 38 3.893 -9.136 -10.647 1.00 3.39 O ATOM 549 OD2 ASP A 38 1.787 -9.047 -10.044 1.00 3.97 O ATOM 0 H ASP A 38 2.380 -7.722 -7.464 1.00 0.94 H new ATOM 0 HA ASP A 38 4.962 -7.579 -8.666 1.00 0.97 H new ATOM 0 HB2 ASP A 38 2.174 -6.624 -9.451 1.00 1.08 H new ATOM 0 HB3 ASP A 38 3.563 -6.497 -10.512 1.00 1.08 H new ATOM 554 N ALA A 39 5.858 -5.314 -8.494 1.00 1.10 N ATOM 555 CA ALA A 39 6.629 -4.213 -7.906 1.00 1.13 C ATOM 556 C ALA A 39 6.319 -2.805 -8.446 1.00 1.06 C ATOM 557 O ALA A 39 6.499 -1.823 -7.721 1.00 1.23 O ATOM 558 CB ALA A 39 8.116 -4.545 -8.072 1.00 1.27 C ATOM 0 H ALA A 39 6.398 -5.883 -9.146 1.00 1.10 H new ATOM 0 HA ALA A 39 6.333 -4.149 -6.859 1.00 1.13 H new ATOM 0 HB1 ALA A 39 8.718 -3.743 -7.644 1.00 1.27 H new ATOM 0 HB2 ALA A 39 8.339 -5.480 -7.559 1.00 1.27 H new ATOM 0 HB3 ALA A 39 8.350 -4.648 -9.132 1.00 1.27 H new ATOM 564 N ASN A 40 5.860 -2.660 -9.694 1.00 1.00 N ATOM 565 CA ASN A 40 5.413 -1.363 -10.214 1.00 0.95 C ATOM 566 C ASN A 40 3.973 -1.051 -9.776 1.00 0.78 C ATOM 567 O ASN A 40 3.662 0.077 -9.376 1.00 0.81 O ATOM 568 CB ASN A 40 5.573 -1.339 -11.741 1.00 1.22 C ATOM 569 CG ASN A 40 5.523 0.085 -12.252 1.00 2.50 C ATOM 570 OD1 ASN A 40 4.472 0.629 -12.563 1.00 4.05 O ATOM 571 ND2 ASN A 40 6.644 0.760 -12.237 1.00 2.73 N ATOM 0 H ASN A 40 5.788 -3.426 -10.364 1.00 1.00 H new ATOM 0 HA ASN A 40 6.038 -0.575 -9.794 1.00 0.95 H new ATOM 0 HB2 ASN A 40 6.520 -1.800 -12.022 1.00 1.22 H new ATOM 0 HB3 ASN A 40 4.782 -1.927 -12.206 1.00 1.22 H new ATOM 0 HD21 ASN A 40 6.647 1.749 -12.486 1.00 2.73 H new ATOM 0 HD22 ASN A 40 7.515 0.297 -11.976 1.00 2.73 H new ATOM 578 N TRP A 41 3.119 -2.078 -9.806 1.00 0.74 N ATOM 579 CA TRP A 41 1.706 -2.033 -9.421 1.00 0.66 C ATOM 580 C TRP A 41 1.514 -1.634 -7.955 1.00 0.58 C ATOM 581 O TRP A 41 0.724 -0.736 -7.670 1.00 0.58 O ATOM 582 CB TRP A 41 1.101 -3.411 -9.709 1.00 0.63 C ATOM 583 CG TRP A 41 -0.326 -3.613 -9.310 1.00 0.56 C ATOM 584 CD1 TRP A 41 -1.402 -3.391 -10.098 1.00 0.67 C ATOM 585 CD2 TRP A 41 -0.858 -4.114 -8.042 1.00 0.57 C ATOM 586 NE1 TRP A 41 -2.553 -3.743 -9.425 1.00 0.71 N ATOM 587 CE2 TRP A 41 -2.282 -4.169 -8.141 1.00 0.72 C ATOM 588 CE3 TRP A 41 -0.281 -4.543 -6.825 1.00 0.68 C ATOM 589 CZ2 TRP A 41 -3.090 -4.610 -7.082 1.00 1.01 C ATOM 590 CZ3 TRP A 41 -1.084 -4.968 -5.749 1.00 0.98 C ATOM 591 CH2 TRP A 41 -2.484 -4.999 -5.874 1.00 1.15 C ATOM 0 H TRP A 41 3.408 -3.007 -10.114 1.00 0.74 H new ATOM 0 HA TRP A 41 1.196 -1.265 -10.002 1.00 0.66 H new ATOM 0 HB2 TRP A 41 1.186 -3.604 -10.778 1.00 0.63 H new ATOM 0 HB3 TRP A 41 1.706 -4.162 -9.201 1.00 0.63 H new ATOM 0 HD1 TRP A 41 -1.366 -2.997 -11.103 1.00 0.67 H new ATOM 0 HE1 TRP A 41 -3.489 -3.694 -9.827 1.00 0.71 H new ATOM 0 HE3 TRP A 41 0.794 -4.545 -6.719 1.00 0.68 H new ATOM 0 HZ2 TRP A 41 -4.164 -4.650 -7.193 1.00 1.01 H new ATOM 0 HZ3 TRP A 41 -0.621 -5.272 -4.822 1.00 0.98 H new ATOM 0 HH2 TRP A 41 -3.094 -5.321 -5.043 1.00 1.15 H new ATOM 602 N LEU A 42 2.285 -2.226 -7.033 1.00 0.56 N ATOM 603 CA LEU A 42 2.155 -1.986 -5.590 1.00 0.55 C ATOM 604 C LEU A 42 2.399 -0.512 -5.204 1.00 0.54 C ATOM 605 O LEU A 42 1.740 0.017 -4.306 1.00 0.60 O ATOM 606 CB LEU A 42 3.133 -2.936 -4.868 1.00 0.64 C ATOM 607 CG LEU A 42 2.955 -3.008 -3.340 1.00 1.00 C ATOM 608 CD1 LEU A 42 1.621 -3.653 -2.958 1.00 1.81 C ATOM 609 CD2 LEU A 42 4.082 -3.839 -2.721 1.00 1.72 C ATOM 0 H LEU A 42 3.022 -2.890 -7.270 1.00 0.56 H new ATOM 0 HA LEU A 42 1.130 -2.191 -5.282 1.00 0.55 H new ATOM 0 HB2 LEU A 42 3.015 -3.938 -5.281 1.00 0.64 H new ATOM 0 HB3 LEU A 42 4.153 -2.619 -5.086 1.00 0.64 H new ATOM 0 HG LEU A 42 2.977 -1.985 -2.963 1.00 1.00 H new ATOM 0 HD11 LEU A 42 1.531 -3.687 -1.872 1.00 1.81 H new ATOM 0 HD12 LEU A 42 0.801 -3.066 -3.372 1.00 1.81 H new ATOM 0 HD13 LEU A 42 1.579 -4.666 -3.357 1.00 1.81 H new ATOM 0 HD21 LEU A 42 3.949 -3.885 -1.640 1.00 1.72 H new ATOM 0 HD22 LEU A 42 4.058 -4.848 -3.133 1.00 1.72 H new ATOM 0 HD23 LEU A 42 5.042 -3.377 -2.949 1.00 1.72 H new ATOM 621 N VAL A 43 3.316 0.164 -5.905 1.00 0.58 N ATOM 622 CA VAL A 43 3.626 1.592 -5.705 1.00 0.63 C ATOM 623 C VAL A 43 2.601 2.494 -6.406 1.00 0.64 C ATOM 624 O VAL A 43 2.158 3.480 -5.817 1.00 0.78 O ATOM 625 CB VAL A 43 5.075 1.909 -6.135 1.00 0.74 C ATOM 626 CG1 VAL A 43 5.470 3.343 -5.759 1.00 1.14 C ATOM 627 CG2 VAL A 43 6.077 0.957 -5.460 1.00 0.94 C ATOM 0 H VAL A 43 3.875 -0.269 -6.640 1.00 0.58 H new ATOM 0 HA VAL A 43 3.552 1.807 -4.639 1.00 0.63 H new ATOM 0 HB VAL A 43 5.108 1.785 -7.217 1.00 0.74 H new ATOM 0 HG11 VAL A 43 6.495 3.533 -6.076 1.00 1.14 H new ATOM 0 HG12 VAL A 43 4.801 4.046 -6.254 1.00 1.14 H new ATOM 0 HG13 VAL A 43 5.395 3.470 -4.679 1.00 1.14 H new ATOM 0 HG21 VAL A 43 7.088 1.205 -5.782 1.00 0.94 H new ATOM 0 HG22 VAL A 43 6.005 1.061 -4.377 1.00 0.94 H new ATOM 0 HG23 VAL A 43 5.848 -0.071 -5.741 1.00 0.94 H new ATOM 637 N ARG A 44 2.143 2.132 -7.615 1.00 0.58 N ATOM 638 CA ARG A 44 1.058 2.837 -8.331 1.00 0.61 C ATOM 639 C ARG A 44 -0.249 2.824 -7.532 1.00 0.63 C ATOM 640 O ARG A 44 -0.904 3.853 -7.411 1.00 0.75 O ATOM 641 CB ARG A 44 0.880 2.209 -9.725 1.00 0.62 C ATOM 642 CG ARG A 44 -0.293 2.817 -10.511 1.00 1.78 C ATOM 643 CD ARG A 44 -0.415 2.191 -11.907 1.00 2.23 C ATOM 644 NE ARG A 44 -1.784 2.297 -12.443 1.00 3.49 N ATOM 645 CZ ARG A 44 -2.401 3.416 -12.865 1.00 4.13 C ATOM 646 NH1 ARG A 44 -1.785 4.607 -12.870 1.00 4.16 N ATOM 647 NH2 ARG A 44 -3.670 3.334 -13.291 1.00 5.48 N ATOM 0 H ARG A 44 2.516 1.335 -8.131 1.00 0.58 H new ATOM 0 HA ARG A 44 1.334 3.885 -8.448 1.00 0.61 H new ATOM 0 HB2 ARG A 44 1.799 2.339 -10.296 1.00 0.62 H new ATOM 0 HB3 ARG A 44 0.721 1.136 -9.617 1.00 0.62 H new ATOM 0 HG2 ARG A 44 -1.221 2.664 -9.960 1.00 1.78 H new ATOM 0 HG3 ARG A 44 -0.151 3.894 -10.604 1.00 1.78 H new ATOM 0 HD2 ARG A 44 0.280 2.684 -12.587 1.00 2.23 H new ATOM 0 HD3 ARG A 44 -0.124 1.141 -11.860 1.00 2.23 H new ATOM 0 HE ARG A 44 -2.320 1.431 -12.500 1.00 3.49 H new ATOM 0 HH11 ARG A 44 -0.820 4.684 -12.548 1.00 4.16 H new ATOM 0 HH12 ARG A 44 -2.281 5.436 -13.196 1.00 4.16 H new ATOM 0 HH21 ARG A 44 -4.151 2.434 -13.291 1.00 5.48 H new ATOM 0 HH22 ARG A 44 -4.154 4.171 -13.615 1.00 5.48 H new ATOM 661 N TRP A 45 -0.586 1.686 -6.922 1.00 0.61 N ATOM 662 CA TRP A 45 -1.720 1.528 -6.006 1.00 0.69 C ATOM 663 C TRP A 45 -1.657 2.491 -4.811 1.00 0.77 C ATOM 664 O TRP A 45 -2.677 3.058 -4.437 1.00 0.82 O ATOM 665 CB TRP A 45 -1.750 0.065 -5.543 1.00 0.74 C ATOM 666 CG TRP A 45 -2.573 -0.230 -4.327 1.00 0.88 C ATOM 667 CD1 TRP A 45 -2.073 -0.630 -3.137 1.00 1.07 C ATOM 668 CD2 TRP A 45 -4.022 -0.142 -4.148 1.00 1.02 C ATOM 669 NE1 TRP A 45 -3.109 -0.836 -2.249 1.00 1.25 N ATOM 670 CE2 TRP A 45 -4.333 -0.539 -2.811 1.00 1.23 C ATOM 671 CE3 TRP A 45 -5.102 0.237 -4.972 1.00 1.11 C ATOM 672 CZ2 TRP A 45 -5.649 -0.565 -2.319 1.00 1.46 C ATOM 673 CZ3 TRP A 45 -6.426 0.222 -4.490 1.00 1.35 C ATOM 674 CH2 TRP A 45 -6.701 -0.180 -3.170 1.00 1.51 C ATOM 0 H TRP A 45 -0.062 0.821 -7.055 1.00 0.61 H new ATOM 0 HA TRP A 45 -2.640 1.781 -6.533 1.00 0.69 H new ATOM 0 HB2 TRP A 45 -2.123 -0.546 -6.365 1.00 0.74 H new ATOM 0 HB3 TRP A 45 -0.726 -0.253 -5.348 1.00 0.74 H new ATOM 0 HD1 TRP A 45 -1.025 -0.767 -2.915 1.00 1.07 H new ATOM 0 HE1 TRP A 45 -2.985 -1.168 -1.293 1.00 1.25 H new ATOM 0 HE3 TRP A 45 -4.911 0.544 -5.990 1.00 1.11 H new ATOM 0 HZ2 TRP A 45 -5.850 -0.875 -1.304 1.00 1.46 H new ATOM 0 HZ3 TRP A 45 -7.236 0.521 -5.139 1.00 1.35 H new ATOM 0 HH2 TRP A 45 -7.719 -0.193 -2.810 1.00 1.51 H new ATOM 685 N LEU A 46 -0.473 2.731 -4.237 1.00 0.92 N ATOM 686 CA LEU A 46 -0.303 3.672 -3.125 1.00 1.19 C ATOM 687 C LEU A 46 -0.325 5.154 -3.561 1.00 1.24 C ATOM 688 O LEU A 46 -0.725 6.028 -2.784 1.00 1.50 O ATOM 689 CB LEU A 46 0.978 3.276 -2.373 1.00 1.49 C ATOM 690 CG LEU A 46 1.276 4.109 -1.114 1.00 1.68 C ATOM 691 CD1 LEU A 46 0.111 4.147 -0.121 1.00 2.82 C ATOM 692 CD2 LEU A 46 2.480 3.493 -0.402 1.00 2.28 C ATOM 0 H LEU A 46 0.393 2.279 -4.530 1.00 0.92 H new ATOM 0 HA LEU A 46 -1.159 3.599 -2.454 1.00 1.19 H new ATOM 0 HB2 LEU A 46 0.904 2.227 -2.087 1.00 1.49 H new ATOM 0 HB3 LEU A 46 1.823 3.362 -3.056 1.00 1.49 H new ATOM 0 HG LEU A 46 1.461 5.131 -1.443 1.00 1.68 H new ATOM 0 HD11 LEU A 46 0.389 4.751 0.743 1.00 2.82 H new ATOM 0 HD12 LEU A 46 -0.764 4.584 -0.603 1.00 2.82 H new ATOM 0 HD13 LEU A 46 -0.122 3.133 0.205 1.00 2.82 H new ATOM 0 HD21 LEU A 46 2.707 4.070 0.494 1.00 2.28 H new ATOM 0 HD22 LEU A 46 2.251 2.465 -0.123 1.00 2.28 H new ATOM 0 HD23 LEU A 46 3.342 3.504 -1.069 1.00 2.28 H new ATOM 704 N LYS A 47 0.068 5.453 -4.803 1.00 1.09 N ATOM 705 CA LYS A 47 -0.058 6.796 -5.390 1.00 1.19 C ATOM 706 C LYS A 47 -1.518 7.137 -5.717 1.00 1.06 C ATOM 707 O LYS A 47 -1.987 8.204 -5.322 1.00 1.19 O ATOM 708 CB LYS A 47 0.848 6.919 -6.629 1.00 1.26 C ATOM 709 CG LYS A 47 2.341 7.023 -6.265 1.00 1.42 C ATOM 710 CD LYS A 47 3.211 6.967 -7.530 1.00 1.60 C ATOM 711 CE LYS A 47 4.687 7.256 -7.238 1.00 2.52 C ATOM 712 NZ LYS A 47 5.511 7.088 -8.456 1.00 2.97 N ATOM 0 H LYS A 47 0.485 4.769 -5.435 1.00 1.09 H new ATOM 0 HA LYS A 47 0.273 7.526 -4.651 1.00 1.19 H new ATOM 0 HB2 LYS A 47 0.695 6.053 -7.274 1.00 1.26 H new ATOM 0 HB3 LYS A 47 0.556 7.799 -7.202 1.00 1.26 H new ATOM 0 HG2 LYS A 47 2.527 7.955 -5.730 1.00 1.42 H new ATOM 0 HG3 LYS A 47 2.614 6.210 -5.593 1.00 1.42 H new ATOM 0 HD2 LYS A 47 3.120 5.981 -7.987 1.00 1.60 H new ATOM 0 HD3 LYS A 47 2.839 7.690 -8.256 1.00 1.60 H new ATOM 0 HE2 LYS A 47 4.794 8.272 -6.859 1.00 2.52 H new ATOM 0 HE3 LYS A 47 5.045 6.585 -6.457 1.00 2.52 H new ATOM 0 HZ1 LYS A 47 6.506 7.289 -8.232 1.00 2.97 H new ATOM 0 HZ2 LYS A 47 5.425 6.111 -8.802 1.00 2.97 H new ATOM 0 HZ3 LYS A 47 5.182 7.746 -9.191 1.00 2.97 H new ATOM 726 N VAL A 48 -2.242 6.253 -6.411 1.00 0.89 N ATOM 727 CA VAL A 48 -3.553 6.560 -7.024 1.00 0.81 C ATOM 728 C VAL A 48 -4.616 5.447 -6.841 1.00 0.62 C ATOM 729 O VAL A 48 -5.124 4.895 -7.824 1.00 0.61 O ATOM 730 CB VAL A 48 -3.364 6.978 -8.504 1.00 0.92 C ATOM 731 CG1 VAL A 48 -2.584 8.294 -8.610 1.00 2.18 C ATOM 732 CG2 VAL A 48 -2.631 5.956 -9.388 1.00 2.62 C ATOM 0 H VAL A 48 -1.937 5.292 -6.569 1.00 0.89 H new ATOM 0 HA VAL A 48 -3.969 7.407 -6.478 1.00 0.81 H new ATOM 0 HB VAL A 48 -4.386 7.068 -8.872 1.00 0.92 H new ATOM 0 HG11 VAL A 48 -2.466 8.563 -9.660 1.00 2.18 H new ATOM 0 HG12 VAL A 48 -3.129 9.083 -8.092 1.00 2.18 H new ATOM 0 HG13 VAL A 48 -1.601 8.172 -8.154 1.00 2.18 H new ATOM 0 HG21 VAL A 48 -2.551 6.344 -10.403 1.00 2.62 H new ATOM 0 HG22 VAL A 48 -1.633 5.778 -8.988 1.00 2.62 H new ATOM 0 HG23 VAL A 48 -3.189 5.020 -9.401 1.00 2.62 H new ATOM 742 N PRO A 49 -4.982 5.072 -5.596 1.00 0.64 N ATOM 743 CA PRO A 49 -5.837 3.907 -5.324 1.00 0.59 C ATOM 744 C PRO A 49 -7.269 4.025 -5.874 1.00 0.58 C ATOM 745 O PRO A 49 -7.829 3.036 -6.348 1.00 0.77 O ATOM 746 CB PRO A 49 -5.845 3.751 -3.796 1.00 0.82 C ATOM 747 CG PRO A 49 -5.529 5.155 -3.285 1.00 1.02 C ATOM 748 CD PRO A 49 -4.590 5.714 -4.350 1.00 0.89 C ATOM 0 HA PRO A 49 -5.434 3.035 -5.838 1.00 0.59 H new ATOM 0 HB2 PRO A 49 -6.812 3.402 -3.435 1.00 0.82 H new ATOM 0 HB3 PRO A 49 -5.101 3.027 -3.464 1.00 0.82 H new ATOM 0 HG2 PRO A 49 -6.431 5.759 -3.187 1.00 1.02 H new ATOM 0 HG3 PRO A 49 -5.054 5.129 -2.304 1.00 1.02 H new ATOM 0 HD2 PRO A 49 -4.681 6.798 -4.422 1.00 0.89 H new ATOM 0 HD3 PRO A 49 -3.550 5.497 -4.108 1.00 0.89 H new ATOM 756 N ASP A 50 -7.871 5.219 -5.861 1.00 0.62 N ATOM 757 CA ASP A 50 -9.228 5.429 -6.388 1.00 0.70 C ATOM 758 C ASP A 50 -9.252 5.372 -7.924 1.00 0.73 C ATOM 759 O ASP A 50 -10.181 4.811 -8.512 1.00 0.86 O ATOM 760 CB ASP A 50 -9.770 6.773 -5.873 1.00 0.98 C ATOM 761 CG ASP A 50 -11.200 7.032 -6.337 1.00 1.47 C ATOM 762 OD1 ASP A 50 -12.134 6.420 -5.771 1.00 2.10 O ATOM 763 OD2 ASP A 50 -11.424 7.833 -7.273 1.00 2.54 O ATOM 0 H ASP A 50 -7.437 6.063 -5.488 1.00 0.62 H new ATOM 0 HA ASP A 50 -9.871 4.624 -6.033 1.00 0.70 H new ATOM 0 HB2 ASP A 50 -9.736 6.784 -4.784 1.00 0.98 H new ATOM 0 HB3 ASP A 50 -9.125 7.580 -6.220 1.00 0.98 H new ATOM 768 N GLN A 51 -8.200 5.902 -8.558 1.00 0.71 N ATOM 769 CA GLN A 51 -8.030 5.972 -10.011 1.00 0.77 C ATOM 770 C GLN A 51 -7.515 4.651 -10.622 1.00 0.75 C ATOM 771 O GLN A 51 -7.603 4.450 -11.833 1.00 1.10 O ATOM 772 CB GLN A 51 -7.106 7.158 -10.312 1.00 0.86 C ATOM 773 CG GLN A 51 -7.352 7.825 -11.671 1.00 1.29 C ATOM 774 CD GLN A 51 -6.477 9.064 -11.865 1.00 1.76 C ATOM 775 OE1 GLN A 51 -5.487 9.294 -11.181 1.00 2.23 O ATOM 776 NE2 GLN A 51 -6.767 9.912 -12.823 1.00 3.00 N ATOM 0 H GLN A 51 -7.414 6.309 -8.052 1.00 0.71 H new ATOM 0 HA GLN A 51 -9.000 6.126 -10.484 1.00 0.77 H new ATOM 0 HB2 GLN A 51 -7.227 7.905 -9.527 1.00 0.86 H new ATOM 0 HB3 GLN A 51 -6.072 6.817 -10.271 1.00 0.86 H new ATOM 0 HG2 GLN A 51 -7.150 7.110 -12.468 1.00 1.29 H new ATOM 0 HG3 GLN A 51 -8.402 8.106 -11.753 1.00 1.29 H new ATOM 0 HE21 GLN A 51 -7.583 9.754 -13.414 1.00 3.00 H new ATOM 0 HE22 GLN A 51 -6.176 10.729 -12.977 1.00 3.00 H new ATOM 785 N MET A 52 -7.009 3.730 -9.792 1.00 0.57 N ATOM 786 CA MET A 52 -6.724 2.337 -10.157 1.00 0.56 C ATOM 787 C MET A 52 -8.031 1.547 -10.381 1.00 0.55 C ATOM 788 O MET A 52 -8.181 0.852 -11.390 1.00 0.63 O ATOM 789 CB MET A 52 -5.857 1.711 -9.044 1.00 0.58 C ATOM 790 CG MET A 52 -5.362 0.307 -9.391 1.00 1.60 C ATOM 791 SD MET A 52 -4.015 0.253 -10.607 1.00 1.60 S ATOM 792 CE MET A 52 -2.614 0.155 -9.463 1.00 1.17 C ATOM 0 H MET A 52 -6.780 3.940 -8.820 1.00 0.57 H new ATOM 0 HA MET A 52 -6.177 2.301 -11.099 1.00 0.56 H new ATOM 0 HB2 MET A 52 -4.999 2.356 -8.853 1.00 0.58 H new ATOM 0 HB3 MET A 52 -6.435 1.669 -8.121 1.00 0.58 H new ATOM 0 HG2 MET A 52 -5.026 -0.181 -8.476 1.00 1.60 H new ATOM 0 HG3 MET A 52 -6.201 -0.275 -9.773 1.00 1.60 H new ATOM 0 HE1 MET A 52 -1.684 0.113 -10.030 1.00 1.17 H new ATOM 0 HE2 MET A 52 -2.607 1.035 -8.820 1.00 1.17 H new ATOM 0 HE3 MET A 52 -2.706 -0.742 -8.850 1.00 1.17 H new ATOM 802 N LEU A 53 -9.002 1.701 -9.468 1.00 0.56 N ATOM 803 CA LEU A 53 -10.331 1.077 -9.555 1.00 0.63 C ATOM 804 C LEU A 53 -11.225 1.766 -10.610 1.00 0.69 C ATOM 805 O LEU A 53 -11.929 1.097 -11.368 1.00 0.84 O ATOM 806 CB LEU A 53 -10.989 1.071 -8.155 1.00 0.69 C ATOM 807 CG LEU A 53 -10.234 0.281 -7.060 1.00 1.27 C ATOM 808 CD1 LEU A 53 -10.835 0.569 -5.679 1.00 1.96 C ATOM 809 CD2 LEU A 53 -10.255 -1.235 -7.265 1.00 2.15 C ATOM 0 H LEU A 53 -8.883 2.274 -8.632 1.00 0.56 H new ATOM 0 HA LEU A 53 -10.212 0.047 -9.890 1.00 0.63 H new ATOM 0 HB2 LEU A 53 -11.099 2.103 -7.822 1.00 0.69 H new ATOM 0 HB3 LEU A 53 -11.993 0.657 -8.248 1.00 0.69 H new ATOM 0 HG LEU A 53 -9.200 0.619 -7.128 1.00 1.27 H new ATOM 0 HD11 LEU A 53 -10.292 0.005 -4.921 1.00 1.96 H new ATOM 0 HD12 LEU A 53 -10.757 1.635 -5.463 1.00 1.96 H new ATOM 0 HD13 LEU A 53 -11.884 0.272 -5.670 1.00 1.96 H new ATOM 0 HD21 LEU A 53 -9.705 -1.719 -6.458 1.00 2.15 H new ATOM 0 HD22 LEU A 53 -11.286 -1.588 -7.265 1.00 2.15 H new ATOM 0 HD23 LEU A 53 -9.788 -1.480 -8.219 1.00 2.15 H new ATOM 821 N ALA A 54 -11.162 3.101 -10.724 1.00 0.66 N ATOM 822 CA ALA A 54 -11.908 3.868 -11.735 1.00 0.76 C ATOM 823 C ALA A 54 -11.391 3.672 -13.180 1.00 0.83 C ATOM 824 O ALA A 54 -12.120 3.961 -14.135 1.00 1.10 O ATOM 825 CB ALA A 54 -11.912 5.345 -11.336 1.00 0.84 C ATOM 0 H ALA A 54 -10.589 3.683 -10.114 1.00 0.66 H new ATOM 0 HA ALA A 54 -12.927 3.482 -11.752 1.00 0.76 H new ATOM 0 HB1 ALA A 54 -12.463 5.921 -12.080 1.00 0.84 H new ATOM 0 HB2 ALA A 54 -12.390 5.458 -10.363 1.00 0.84 H new ATOM 0 HB3 ALA A 54 -10.886 5.710 -11.281 1.00 0.84 H new ATOM 831 N GLU A 55 -10.164 3.162 -13.340 1.00 0.77 N ATOM 832 CA GLU A 55 -9.646 2.588 -14.586 1.00 0.86 C ATOM 833 C GLU A 55 -10.307 1.216 -14.821 1.00 0.97 C ATOM 834 O GLU A 55 -11.359 1.164 -15.461 1.00 2.02 O ATOM 835 CB GLU A 55 -8.104 2.584 -14.546 1.00 0.98 C ATOM 836 CG GLU A 55 -7.343 1.807 -15.638 1.00 1.62 C ATOM 837 CD GLU A 55 -7.321 2.455 -17.024 1.00 2.86 C ATOM 838 OE1 GLU A 55 -8.242 3.213 -17.400 1.00 4.14 O ATOM 839 OE2 GLU A 55 -6.358 2.173 -17.777 1.00 3.37 O ATOM 0 H GLU A 55 -9.483 3.137 -12.581 1.00 0.77 H new ATOM 0 HA GLU A 55 -9.907 3.191 -15.456 1.00 0.86 H new ATOM 0 HB2 GLU A 55 -7.769 3.621 -14.582 1.00 0.98 H new ATOM 0 HB3 GLU A 55 -7.798 2.183 -13.580 1.00 0.98 H new ATOM 0 HG2 GLU A 55 -6.314 1.666 -15.307 1.00 1.62 H new ATOM 0 HG3 GLU A 55 -7.787 0.816 -15.728 1.00 1.62 H new ATOM 846 N LYS A 56 -9.728 0.111 -14.324 1.00 1.28 N ATOM 847 CA LYS A 56 -10.231 -1.269 -14.543 1.00 1.32 C ATOM 848 C LYS A 56 -9.572 -2.368 -13.696 1.00 1.18 C ATOM 849 O LYS A 56 -9.995 -3.517 -13.803 1.00 2.11 O ATOM 850 CB LYS A 56 -10.064 -1.647 -16.038 1.00 2.52 C ATOM 851 CG LYS A 56 -8.629 -2.011 -16.465 1.00 5.25 C ATOM 852 CD LYS A 56 -8.438 -1.871 -17.981 1.00 6.73 C ATOM 853 CE LYS A 56 -7.057 -2.391 -18.390 1.00 9.14 C ATOM 854 NZ LYS A 56 -6.736 -2.056 -19.795 1.00 10.61 N ATOM 0 H LYS A 56 -8.885 0.144 -13.750 1.00 1.28 H new ATOM 0 HA LYS A 56 -11.274 -1.233 -14.227 1.00 1.32 H new ATOM 0 HB2 LYS A 56 -10.717 -2.492 -16.258 1.00 2.52 H new ATOM 0 HB3 LYS A 56 -10.407 -0.811 -16.648 1.00 2.52 H new ATOM 0 HG2 LYS A 56 -7.920 -1.365 -15.947 1.00 5.25 H new ATOM 0 HG3 LYS A 56 -8.407 -3.035 -16.163 1.00 5.25 H new ATOM 0 HD2 LYS A 56 -9.214 -2.428 -18.506 1.00 6.73 H new ATOM 0 HD3 LYS A 56 -8.542 -0.826 -18.273 1.00 6.73 H new ATOM 0 HE2 LYS A 56 -6.299 -1.965 -17.733 1.00 9.14 H new ATOM 0 HE3 LYS A 56 -7.022 -3.472 -18.257 1.00 9.14 H new ATOM 0 HZ1 LYS A 56 -5.793 -2.425 -20.033 1.00 10.61 H new ATOM 0 HZ2 LYS A 56 -7.445 -2.484 -20.425 1.00 10.61 H new ATOM 0 HZ3 LYS A 56 -6.744 -1.023 -19.916 1.00 10.61 H new ATOM 868 N ASP A 57 -8.501 -2.053 -12.962 1.00 0.94 N ATOM 869 CA ASP A 57 -7.350 -2.928 -12.704 1.00 1.10 C ATOM 870 C ASP A 57 -7.755 -4.185 -11.935 1.00 1.11 C ATOM 871 O ASP A 57 -7.993 -4.149 -10.726 1.00 1.09 O ATOM 872 CB ASP A 57 -6.244 -2.159 -11.978 1.00 1.17 C ATOM 873 CG ASP A 57 -4.915 -2.901 -12.111 1.00 1.51 C ATOM 874 OD1 ASP A 57 -4.626 -3.812 -11.304 1.00 2.46 O ATOM 875 OD2 ASP A 57 -4.185 -2.604 -13.083 1.00 1.94 O ATOM 0 H ASP A 57 -8.407 -1.143 -12.511 1.00 0.94 H new ATOM 0 HA ASP A 57 -6.959 -3.259 -13.666 1.00 1.10 H new ATOM 0 HB2 ASP A 57 -6.153 -1.156 -12.396 1.00 1.17 H new ATOM 0 HB3 ASP A 57 -6.501 -2.044 -10.925 1.00 1.17 H new ATOM 880 N PRO A 58 -7.914 -5.302 -12.645 1.00 1.20 N ATOM 881 CA PRO A 58 -8.848 -6.332 -12.216 1.00 1.31 C ATOM 882 C PRO A 58 -8.324 -7.191 -11.062 1.00 1.49 C ATOM 883 O PRO A 58 -9.114 -7.746 -10.295 1.00 2.25 O ATOM 884 CB PRO A 58 -9.122 -7.088 -13.501 1.00 1.47 C ATOM 885 CG PRO A 58 -7.833 -6.961 -14.306 1.00 1.47 C ATOM 886 CD PRO A 58 -7.483 -5.520 -14.023 1.00 1.27 C ATOM 0 HA PRO A 58 -9.761 -5.932 -11.774 1.00 1.31 H new ATOM 0 HB2 PRO A 58 -9.364 -8.132 -13.302 1.00 1.47 H new ATOM 0 HB3 PRO A 58 -9.969 -6.661 -14.039 1.00 1.47 H new ATOM 0 HG2 PRO A 58 -7.061 -7.651 -13.966 1.00 1.47 H new ATOM 0 HG3 PRO A 58 -7.986 -7.151 -15.368 1.00 1.47 H new ATOM 0 HD2 PRO A 58 -6.414 -5.342 -14.137 1.00 1.27 H new ATOM 0 HD3 PRO A 58 -7.994 -4.845 -14.710 1.00 1.27 H new ATOM 894 N LEU A 59 -7.004 -7.201 -10.884 1.00 1.03 N ATOM 895 CA LEU A 59 -6.319 -7.667 -9.673 1.00 0.98 C ATOM 896 C LEU A 59 -6.742 -6.865 -8.426 1.00 0.92 C ATOM 897 O LEU A 59 -7.040 -7.455 -7.390 1.00 0.94 O ATOM 898 CB LEU A 59 -4.798 -7.579 -9.920 1.00 0.99 C ATOM 899 CG LEU A 59 -3.913 -7.928 -8.706 1.00 0.99 C ATOM 900 CD1 LEU A 59 -4.148 -9.349 -8.190 1.00 1.38 C ATOM 901 CD2 LEU A 59 -2.441 -7.798 -9.096 1.00 1.38 C ATOM 0 H LEU A 59 -6.357 -6.874 -11.602 1.00 1.03 H new ATOM 0 HA LEU A 59 -6.601 -8.700 -9.469 1.00 0.98 H new ATOM 0 HB2 LEU A 59 -4.540 -8.248 -10.741 1.00 0.99 H new ATOM 0 HB3 LEU A 59 -4.557 -6.567 -10.246 1.00 0.99 H new ATOM 0 HG LEU A 59 -4.179 -7.232 -7.911 1.00 0.99 H new ATOM 0 HD11 LEU A 59 -3.498 -9.538 -7.336 1.00 1.38 H new ATOM 0 HD12 LEU A 59 -5.189 -9.458 -7.885 1.00 1.38 H new ATOM 0 HD13 LEU A 59 -3.925 -10.065 -8.981 1.00 1.38 H new ATOM 0 HD21 LEU A 59 -1.814 -8.044 -8.239 1.00 1.38 H new ATOM 0 HD22 LEU A 59 -2.220 -8.482 -9.916 1.00 1.38 H new ATOM 0 HD23 LEU A 59 -2.237 -6.775 -9.412 1.00 1.38 H new ATOM 913 N ALA A 60 -6.829 -5.533 -8.505 1.00 0.87 N ATOM 914 CA ALA A 60 -7.349 -4.722 -7.403 1.00 0.84 C ATOM 915 C ALA A 60 -8.872 -4.857 -7.245 1.00 0.73 C ATOM 916 O ALA A 60 -9.355 -5.001 -6.123 1.00 0.74 O ATOM 917 CB ALA A 60 -6.948 -3.264 -7.601 1.00 0.89 C ATOM 0 H ALA A 60 -6.545 -4.994 -9.323 1.00 0.87 H new ATOM 0 HA ALA A 60 -6.907 -5.094 -6.479 1.00 0.84 H new ATOM 0 HB1 ALA A 60 -7.337 -2.665 -6.778 1.00 0.89 H new ATOM 0 HB2 ALA A 60 -5.861 -3.186 -7.624 1.00 0.89 H new ATOM 0 HB3 ALA A 60 -7.358 -2.898 -8.542 1.00 0.89 H new ATOM 923 N MET A 61 -9.623 -4.882 -8.352 1.00 0.68 N ATOM 924 CA MET A 61 -11.081 -5.077 -8.355 1.00 0.68 C ATOM 925 C MET A 61 -11.506 -6.437 -7.766 1.00 0.75 C ATOM 926 O MET A 61 -12.635 -6.576 -7.295 1.00 0.83 O ATOM 927 CB MET A 61 -11.612 -4.952 -9.789 1.00 0.79 C ATOM 928 CG MET A 61 -11.239 -3.642 -10.497 1.00 0.86 C ATOM 929 SD MET A 61 -12.115 -2.175 -9.924 1.00 1.74 S ATOM 930 CE MET A 61 -13.635 -2.430 -10.845 1.00 1.92 C ATOM 0 H MET A 61 -9.231 -4.766 -9.286 1.00 0.68 H new ATOM 0 HA MET A 61 -11.509 -4.303 -7.717 1.00 0.68 H new ATOM 0 HB2 MET A 61 -11.233 -5.788 -10.377 1.00 0.79 H new ATOM 0 HB3 MET A 61 -12.698 -5.043 -9.769 1.00 0.79 H new ATOM 0 HG2 MET A 61 -10.169 -3.476 -10.376 1.00 0.86 H new ATOM 0 HG3 MET A 61 -11.424 -3.761 -11.565 1.00 0.86 H new ATOM 0 HE1 MET A 61 -14.310 -1.591 -10.673 1.00 1.92 H new ATOM 0 HE2 MET A 61 -13.408 -2.501 -11.909 1.00 1.92 H new ATOM 0 HE3 MET A 61 -14.111 -3.353 -10.513 1.00 1.92 H new ATOM 940 N LEU A 62 -10.607 -7.428 -7.771 1.00 0.82 N ATOM 941 CA LEU A 62 -10.698 -8.678 -7.020 1.00 0.94 C ATOM 942 C LEU A 62 -10.295 -8.492 -5.553 1.00 0.94 C ATOM 943 O LEU A 62 -11.046 -8.860 -4.649 1.00 1.07 O ATOM 944 CB LEU A 62 -9.749 -9.680 -7.690 1.00 1.08 C ATOM 945 CG LEU A 62 -9.609 -11.040 -6.988 1.00 1.81 C ATOM 946 CD1 LEU A 62 -10.929 -11.804 -6.894 1.00 2.98 C ATOM 947 CD2 LEU A 62 -8.615 -11.897 -7.763 1.00 2.15 C ATOM 0 H LEU A 62 -9.754 -7.374 -8.328 1.00 0.82 H new ATOM 0 HA LEU A 62 -11.729 -9.032 -7.027 1.00 0.94 H new ATOM 0 HB2 LEU A 62 -10.094 -9.852 -8.710 1.00 1.08 H new ATOM 0 HB3 LEU A 62 -8.761 -9.225 -7.760 1.00 1.08 H new ATOM 0 HG LEU A 62 -9.269 -10.841 -5.972 1.00 1.81 H new ATOM 0 HD11 LEU A 62 -10.764 -12.755 -6.388 1.00 2.98 H new ATOM 0 HD12 LEU A 62 -11.651 -11.214 -6.330 1.00 2.98 H new ATOM 0 HD13 LEU A 62 -11.315 -11.988 -7.897 1.00 2.98 H new ATOM 0 HD21 LEU A 62 -8.509 -12.865 -7.272 1.00 2.15 H new ATOM 0 HD22 LEU A 62 -8.977 -12.044 -8.781 1.00 2.15 H new ATOM 0 HD23 LEU A 62 -7.647 -11.396 -7.791 1.00 2.15 H new ATOM 959 N LEU A 63 -9.091 -7.952 -5.309 1.00 0.90 N ATOM 960 CA LEU A 63 -8.471 -7.981 -3.989 1.00 0.99 C ATOM 961 C LEU A 63 -9.281 -7.151 -3.002 1.00 0.92 C ATOM 962 O LEU A 63 -9.486 -7.571 -1.864 1.00 1.05 O ATOM 963 CB LEU A 63 -7.019 -7.496 -4.152 1.00 1.10 C ATOM 964 CG LEU A 63 -6.172 -7.479 -2.871 1.00 1.58 C ATOM 965 CD1 LEU A 63 -4.707 -7.699 -3.243 1.00 2.42 C ATOM 966 CD2 LEU A 63 -6.257 -6.136 -2.143 1.00 2.17 C ATOM 0 H LEU A 63 -8.528 -7.487 -6.021 1.00 0.90 H new ATOM 0 HA LEU A 63 -8.455 -8.989 -3.574 1.00 0.99 H new ATOM 0 HB2 LEU A 63 -6.523 -8.133 -4.884 1.00 1.10 H new ATOM 0 HB3 LEU A 63 -7.037 -6.488 -4.567 1.00 1.10 H new ATOM 0 HG LEU A 63 -6.554 -8.263 -2.218 1.00 1.58 H new ATOM 0 HD11 LEU A 63 -4.097 -7.689 -2.340 1.00 2.42 H new ATOM 0 HD12 LEU A 63 -4.599 -8.662 -3.743 1.00 2.42 H new ATOM 0 HD13 LEU A 63 -4.378 -6.904 -3.912 1.00 2.42 H new ATOM 0 HD21 LEU A 63 -5.643 -6.170 -1.243 1.00 2.17 H new ATOM 0 HD22 LEU A 63 -5.897 -5.343 -2.799 1.00 2.17 H new ATOM 0 HD23 LEU A 63 -7.293 -5.936 -1.868 1.00 2.17 H new ATOM 978 N PHE A 64 -9.770 -5.996 -3.456 1.00 0.77 N ATOM 979 CA PHE A 64 -10.500 -5.072 -2.592 1.00 0.74 C ATOM 980 C PHE A 64 -11.885 -5.619 -2.227 1.00 0.74 C ATOM 981 O PHE A 64 -12.218 -5.641 -1.046 1.00 0.86 O ATOM 982 CB PHE A 64 -10.462 -3.633 -3.145 1.00 0.73 C ATOM 983 CG PHE A 64 -11.758 -3.063 -3.697 1.00 0.73 C ATOM 984 CD1 PHE A 64 -12.267 -3.505 -4.932 1.00 1.73 C ATOM 985 CD2 PHE A 64 -12.438 -2.060 -2.982 1.00 1.96 C ATOM 986 CE1 PHE A 64 -13.454 -2.952 -5.445 1.00 1.74 C ATOM 987 CE2 PHE A 64 -13.627 -1.510 -3.492 1.00 2.13 C ATOM 988 CZ PHE A 64 -14.137 -1.958 -4.724 1.00 1.11 C ATOM 0 H PHE A 64 -9.672 -5.679 -4.421 1.00 0.77 H new ATOM 0 HA PHE A 64 -9.989 -4.996 -1.632 1.00 0.74 H new ATOM 0 HB2 PHE A 64 -10.117 -2.975 -2.348 1.00 0.73 H new ATOM 0 HB3 PHE A 64 -9.713 -3.596 -3.936 1.00 0.73 H new ATOM 0 HD1 PHE A 64 -11.745 -4.270 -5.487 1.00 1.73 H new ATOM 0 HD2 PHE A 64 -12.045 -1.711 -2.038 1.00 1.96 H new ATOM 0 HE1 PHE A 64 -13.841 -3.292 -6.394 1.00 1.74 H new ATOM 0 HE2 PHE A 64 -14.149 -0.744 -2.938 1.00 2.13 H new ATOM 0 HZ PHE A 64 -15.052 -1.539 -5.115 1.00 1.11 H new ATOM 998 N GLU A 65 -12.657 -6.175 -3.174 1.00 0.78 N ATOM 999 CA GLU A 65 -13.956 -6.784 -2.844 1.00 0.98 C ATOM 1000 C GLU A 65 -13.806 -7.962 -1.871 1.00 1.10 C ATOM 1001 O GLU A 65 -14.629 -8.096 -0.962 1.00 1.34 O ATOM 1002 CB GLU A 65 -14.755 -7.208 -4.096 1.00 1.12 C ATOM 1003 CG GLU A 65 -15.203 -6.009 -4.952 1.00 2.49 C ATOM 1004 CD GLU A 65 -16.434 -6.274 -5.836 1.00 2.82 C ATOM 1005 OE1 GLU A 65 -16.780 -7.443 -6.125 1.00 2.40 O ATOM 1006 OE2 GLU A 65 -17.089 -5.291 -6.266 1.00 4.26 O ATOM 0 H GLU A 65 -12.409 -6.216 -4.163 1.00 0.78 H new ATOM 0 HA GLU A 65 -14.531 -6.003 -2.346 1.00 0.98 H new ATOM 0 HB2 GLU A 65 -14.143 -7.874 -4.704 1.00 1.12 H new ATOM 0 HB3 GLU A 65 -15.632 -7.776 -3.786 1.00 1.12 H new ATOM 0 HG2 GLU A 65 -15.421 -5.170 -4.291 1.00 2.49 H new ATOM 0 HG3 GLU A 65 -14.373 -5.705 -5.590 1.00 2.49 H new ATOM 1013 N GLN A 66 -12.737 -8.763 -1.981 1.00 1.08 N ATOM 1014 CA GLN A 66 -12.509 -9.889 -1.066 1.00 1.25 C ATOM 1015 C GLN A 66 -12.107 -9.487 0.359 1.00 1.19 C ATOM 1016 O GLN A 66 -12.441 -10.218 1.291 1.00 1.58 O ATOM 1017 CB GLN A 66 -11.508 -10.893 -1.663 1.00 1.48 C ATOM 1018 CG GLN A 66 -12.144 -11.694 -2.808 1.00 2.33 C ATOM 1019 CD GLN A 66 -11.342 -12.916 -3.242 1.00 2.53 C ATOM 1020 OE1 GLN A 66 -10.182 -13.124 -2.897 1.00 2.86 O ATOM 1021 NE2 GLN A 66 -11.938 -13.798 -4.007 1.00 3.60 N ATOM 0 H GLN A 66 -12.017 -8.652 -2.695 1.00 1.08 H new ATOM 0 HA GLN A 66 -13.481 -10.371 -0.960 1.00 1.25 H new ATOM 0 HB2 GLN A 66 -10.631 -10.361 -2.031 1.00 1.48 H new ATOM 0 HB3 GLN A 66 -11.165 -11.575 -0.885 1.00 1.48 H new ATOM 0 HG2 GLN A 66 -13.138 -12.017 -2.500 1.00 2.33 H new ATOM 0 HG3 GLN A 66 -12.274 -11.036 -3.667 1.00 2.33 H new ATOM 0 HE21 GLN A 66 -12.901 -13.646 -4.306 1.00 3.60 H new ATOM 0 HE22 GLN A 66 -11.438 -14.636 -4.303 1.00 3.60 H new ATOM 1030 N TYR A 67 -11.488 -8.322 0.567 1.00 0.88 N ATOM 1031 CA TYR A 67 -11.305 -7.722 1.899 1.00 0.99 C ATOM 1032 C TYR A 67 -12.475 -6.771 2.263 1.00 1.09 C ATOM 1033 O TYR A 67 -12.266 -5.698 2.829 1.00 1.44 O ATOM 1034 CB TYR A 67 -9.904 -7.089 2.019 1.00 0.96 C ATOM 1035 CG TYR A 67 -8.723 -8.050 1.919 1.00 1.02 C ATOM 1036 CD1 TYR A 67 -8.461 -8.986 2.944 1.00 2.32 C ATOM 1037 CD2 TYR A 67 -7.827 -7.953 0.837 1.00 1.61 C ATOM 1038 CE1 TYR A 67 -7.312 -9.807 2.888 1.00 2.48 C ATOM 1039 CE2 TYR A 67 -6.677 -8.763 0.779 1.00 1.62 C ATOM 1040 CZ TYR A 67 -6.414 -9.692 1.803 1.00 1.37 C ATOM 1041 OH TYR A 67 -5.307 -10.477 1.707 1.00 1.62 O ATOM 0 H TYR A 67 -11.095 -7.761 -0.189 1.00 0.88 H new ATOM 0 HA TYR A 67 -11.343 -8.507 2.654 1.00 0.99 H new ATOM 0 HB2 TYR A 67 -9.800 -6.335 1.239 1.00 0.96 H new ATOM 0 HB3 TYR A 67 -9.843 -6.569 2.975 1.00 0.96 H new ATOM 0 HD1 TYR A 67 -9.143 -9.075 3.776 1.00 2.32 H new ATOM 0 HD2 TYR A 67 -8.024 -7.249 0.042 1.00 1.61 H new ATOM 0 HE1 TYR A 67 -7.120 -10.522 3.674 1.00 2.48 H new ATOM 0 HE2 TYR A 67 -5.995 -8.671 -0.053 1.00 1.62 H new ATOM 0 HH TYR A 67 -4.815 -10.250 0.890 1.00 1.62 H new ATOM 1051 N ASN A 68 -13.714 -7.166 1.934 1.00 1.17 N ATOM 1052 CA ASN A 68 -14.969 -6.428 2.165 1.00 1.38 C ATOM 1053 C ASN A 68 -14.982 -4.980 1.619 1.00 1.19 C ATOM 1054 O ASN A 68 -15.434 -4.044 2.285 1.00 1.31 O ATOM 1055 CB ASN A 68 -15.416 -6.569 3.636 1.00 1.76 C ATOM 1056 CG ASN A 68 -16.821 -6.024 3.857 1.00 2.57 C ATOM 1057 OD1 ASN A 68 -17.771 -6.380 3.161 1.00 3.11 O ATOM 1058 ND2 ASN A 68 -16.987 -5.109 4.784 1.00 3.05 N ATOM 0 H ASN A 68 -13.879 -8.061 1.473 1.00 1.17 H new ATOM 0 HA ASN A 68 -15.735 -6.903 1.552 1.00 1.38 H new ATOM 0 HB2 ASN A 68 -15.384 -7.619 3.926 1.00 1.76 H new ATOM 0 HB3 ASN A 68 -14.715 -6.039 4.281 1.00 1.76 H new ATOM 0 HD21 ASN A 68 -17.906 -4.691 4.929 1.00 3.05 H new ATOM 0 HD22 ASN A 68 -16.197 -4.816 5.359 1.00 3.05 H new ATOM 1065 N ARG A 69 -14.496 -4.794 0.385 1.00 1.14 N ATOM 1066 CA ARG A 69 -14.390 -3.492 -0.308 1.00 1.36 C ATOM 1067 C ARG A 69 -13.559 -2.477 0.487 1.00 1.56 C ATOM 1068 O ARG A 69 -12.333 -2.548 0.454 1.00 3.39 O ATOM 1069 CB ARG A 69 -15.777 -2.971 -0.747 1.00 2.08 C ATOM 1070 CG ARG A 69 -16.401 -3.850 -1.834 1.00 1.88 C ATOM 1071 CD ARG A 69 -17.817 -3.391 -2.196 1.00 2.22 C ATOM 1072 NE ARG A 69 -18.409 -4.240 -3.242 1.00 2.37 N ATOM 1073 CZ ARG A 69 -18.983 -5.443 -3.051 1.00 2.87 C ATOM 1074 NH1 ARG A 69 -19.074 -5.998 -1.831 1.00 3.69 N ATOM 1075 NH2 ARG A 69 -19.477 -6.105 -4.104 1.00 4.05 N ATOM 0 H ARG A 69 -14.153 -5.569 -0.183 1.00 1.14 H new ATOM 0 HA ARG A 69 -13.829 -3.647 -1.230 1.00 1.36 H new ATOM 0 HB2 ARG A 69 -16.441 -2.936 0.117 1.00 2.08 H new ATOM 0 HB3 ARG A 69 -15.681 -1.950 -1.117 1.00 2.08 H new ATOM 0 HG2 ARG A 69 -15.773 -3.827 -2.725 1.00 1.88 H new ATOM 0 HG3 ARG A 69 -16.431 -4.884 -1.492 1.00 1.88 H new ATOM 0 HD2 ARG A 69 -18.447 -3.415 -1.307 1.00 2.22 H new ATOM 0 HD3 ARG A 69 -17.789 -2.357 -2.538 1.00 2.22 H new ATOM 0 HE ARG A 69 -18.382 -3.885 -4.198 1.00 2.37 H new ATOM 0 HH11 ARG A 69 -18.703 -5.506 -1.018 1.00 3.69 H new ATOM 0 HH12 ARG A 69 -19.514 -6.911 -1.718 1.00 3.69 H new ATOM 0 HH21 ARG A 69 -19.416 -5.697 -5.037 1.00 4.05 H new ATOM 0 HH22 ARG A 69 -19.914 -7.017 -3.974 1.00 4.05 H new ATOM 1089 N LEU A 70 -14.217 -1.528 1.167 1.00 1.37 N ATOM 1090 CA LEU A 70 -13.682 -0.447 2.017 1.00 1.23 C ATOM 1091 C LEU A 70 -12.772 0.585 1.309 1.00 1.41 C ATOM 1092 O LEU A 70 -12.919 1.784 1.553 1.00 2.50 O ATOM 1093 CB LEU A 70 -13.077 -1.091 3.290 1.00 1.03 C ATOM 1094 CG LEU A 70 -12.906 -0.233 4.561 1.00 1.18 C ATOM 1095 CD1 LEU A 70 -11.706 0.711 4.510 1.00 2.53 C ATOM 1096 CD2 LEU A 70 -14.143 0.593 4.922 1.00 2.48 C ATOM 0 H LEU A 70 -15.236 -1.492 1.135 1.00 1.37 H new ATOM 0 HA LEU A 70 -14.511 0.201 2.302 1.00 1.23 H new ATOM 0 HB2 LEU A 70 -13.700 -1.946 3.553 1.00 1.03 H new ATOM 0 HB3 LEU A 70 -12.095 -1.482 3.024 1.00 1.03 H new ATOM 0 HG LEU A 70 -12.740 -0.982 5.335 1.00 1.18 H new ATOM 0 HD11 LEU A 70 -11.651 1.280 5.438 1.00 2.53 H new ATOM 0 HD12 LEU A 70 -10.792 0.131 4.386 1.00 2.53 H new ATOM 0 HD13 LEU A 70 -11.818 1.396 3.670 1.00 2.53 H new ATOM 0 HD21 LEU A 70 -13.945 1.169 5.826 1.00 2.48 H new ATOM 0 HD22 LEU A 70 -14.378 1.273 4.103 1.00 2.48 H new ATOM 0 HD23 LEU A 70 -14.988 -0.074 5.094 1.00 2.48 H new ATOM 1108 N ALA A 71 -11.895 0.158 0.395 1.00 1.05 N ATOM 1109 CA ALA A 71 -10.929 0.973 -0.351 1.00 1.21 C ATOM 1110 C ALA A 71 -9.975 1.790 0.560 1.00 1.38 C ATOM 1111 O ALA A 71 -9.963 1.647 1.786 1.00 2.28 O ATOM 1112 CB ALA A 71 -11.690 1.823 -1.387 1.00 1.43 C ATOM 0 H ALA A 71 -11.837 -0.828 0.140 1.00 1.05 H new ATOM 0 HA ALA A 71 -10.249 0.311 -0.887 1.00 1.21 H new ATOM 0 HB1 ALA A 71 -10.982 2.433 -1.948 1.00 1.43 H new ATOM 0 HB2 ALA A 71 -12.226 1.167 -2.073 1.00 1.43 H new ATOM 0 HB3 ALA A 71 -12.401 2.471 -0.874 1.00 1.43 H new ATOM 1118 N MET A 72 -9.149 2.647 -0.045 1.00 1.15 N ATOM 1119 CA MET A 72 -8.408 3.711 0.645 1.00 1.19 C ATOM 1120 C MET A 72 -8.288 4.948 -0.270 1.00 1.10 C ATOM 1121 O MET A 72 -8.367 4.790 -1.494 1.00 0.96 O ATOM 1122 CB MET A 72 -7.059 3.176 1.170 1.00 1.46 C ATOM 1123 CG MET A 72 -6.003 2.831 0.113 1.00 0.99 C ATOM 1124 SD MET A 72 -4.614 1.872 0.808 1.00 0.78 S ATOM 1125 CE MET A 72 -3.376 2.152 -0.483 1.00 1.23 C ATOM 0 H MET A 72 -8.971 2.622 -1.049 1.00 1.15 H new ATOM 0 HA MET A 72 -8.955 4.041 1.528 1.00 1.19 H new ATOM 0 HB2 MET A 72 -6.636 3.920 1.845 1.00 1.46 H new ATOM 0 HB3 MET A 72 -7.254 2.282 1.763 1.00 1.46 H new ATOM 0 HG2 MET A 72 -6.469 2.261 -0.690 1.00 0.99 H new ATOM 0 HG3 MET A 72 -5.621 3.751 -0.329 1.00 0.99 H new ATOM 0 HE1 MET A 72 -2.553 1.448 -0.357 1.00 1.23 H new ATOM 0 HE2 MET A 72 -3.832 2.006 -1.462 1.00 1.23 H new ATOM 0 HE3 MET A 72 -2.996 3.171 -0.408 1.00 1.23 H new ATOM 1135 N PRO A 73 -8.164 6.176 0.268 1.00 1.23 N ATOM 1136 CA PRO A 73 -8.049 7.393 -0.533 1.00 1.20 C ATOM 1137 C PRO A 73 -6.611 7.639 -1.018 1.00 1.19 C ATOM 1138 O PRO A 73 -5.650 7.137 -0.434 1.00 1.28 O ATOM 1139 CB PRO A 73 -8.538 8.512 0.393 1.00 1.39 C ATOM 1140 CG PRO A 73 -8.075 8.033 1.769 1.00 1.54 C ATOM 1141 CD PRO A 73 -8.250 6.515 1.685 1.00 1.45 C ATOM 0 HA PRO A 73 -8.637 7.330 -1.449 1.00 1.20 H new ATOM 0 HB2 PRO A 73 -8.100 9.475 0.131 1.00 1.39 H new ATOM 0 HB3 PRO A 73 -9.621 8.631 0.348 1.00 1.39 H new ATOM 0 HG2 PRO A 73 -7.039 8.309 1.964 1.00 1.54 H new ATOM 0 HG3 PRO A 73 -8.676 8.464 2.569 1.00 1.54 H new ATOM 0 HD2 PRO A 73 -7.477 6.001 2.256 1.00 1.45 H new ATOM 0 HD3 PRO A 73 -9.210 6.210 2.101 1.00 1.45 H new ATOM 1149 N ASN A 74 -6.452 8.479 -2.045 1.00 1.20 N ATOM 1150 CA ASN A 74 -5.190 9.179 -2.291 1.00 1.32 C ATOM 1151 C ASN A 74 -4.920 10.168 -1.134 1.00 1.39 C ATOM 1152 O ASN A 74 -5.833 10.851 -0.660 1.00 1.98 O ATOM 1153 CB ASN A 74 -5.260 9.862 -3.670 1.00 1.38 C ATOM 1154 CG ASN A 74 -4.208 10.938 -3.859 1.00 1.58 C ATOM 1155 OD1 ASN A 74 -4.393 12.081 -3.462 1.00 2.33 O ATOM 1156 ND2 ASN A 74 -3.069 10.641 -4.428 1.00 1.92 N ATOM 0 H ASN A 74 -7.186 8.691 -2.721 1.00 1.20 H new ATOM 0 HA ASN A 74 -4.350 8.485 -2.315 1.00 1.32 H new ATOM 0 HB2 ASN A 74 -5.142 9.108 -4.448 1.00 1.38 H new ATOM 0 HB3 ASN A 74 -6.248 10.303 -3.800 1.00 1.38 H new ATOM 0 HD21 ASN A 74 -2.351 11.357 -4.536 1.00 1.92 H new ATOM 0 HD22 ASN A 74 -2.899 9.693 -4.764 1.00 1.92 H new ATOM 1163 N MET A 75 -3.666 10.262 -0.686 1.00 1.58 N ATOM 1164 CA MET A 75 -3.270 11.055 0.492 1.00 1.61 C ATOM 1165 C MET A 75 -2.261 12.169 0.153 1.00 1.67 C ATOM 1166 O MET A 75 -1.545 12.640 1.040 1.00 2.32 O ATOM 1167 CB MET A 75 -2.802 10.124 1.627 1.00 1.61 C ATOM 1168 CG MET A 75 -3.883 9.112 2.038 1.00 1.69 C ATOM 1169 SD MET A 75 -3.475 8.088 3.483 1.00 2.33 S ATOM 1170 CE MET A 75 -3.765 9.280 4.819 1.00 3.06 C ATOM 0 H MET A 75 -2.883 9.785 -1.133 1.00 1.58 H new ATOM 0 HA MET A 75 -4.149 11.589 0.852 1.00 1.61 H new ATOM 0 HB2 MET A 75 -1.908 9.587 1.308 1.00 1.61 H new ATOM 0 HB3 MET A 75 -2.522 10.724 2.493 1.00 1.61 H new ATOM 0 HG2 MET A 75 -4.805 9.654 2.246 1.00 1.69 H new ATOM 0 HG3 MET A 75 -4.083 8.455 1.192 1.00 1.69 H new ATOM 0 HE1 MET A 75 -3.559 8.807 5.779 1.00 3.06 H new ATOM 0 HE2 MET A 75 -3.107 10.140 4.689 1.00 3.06 H new ATOM 0 HE3 MET A 75 -4.803 9.610 4.793 1.00 3.06 H new ATOM 1180 N ARG A 76 -2.187 12.581 -1.126 1.00 1.77 N ATOM 1181 CA ARG A 76 -1.278 13.621 -1.666 1.00 1.87 C ATOM 1182 C ARG A 76 0.164 13.492 -1.161 1.00 1.52 C ATOM 1183 O ARG A 76 0.793 14.462 -0.723 1.00 1.68 O ATOM 1184 CB ARG A 76 -1.891 15.026 -1.489 1.00 2.51 C ATOM 1185 CG ARG A 76 -3.188 15.190 -2.299 1.00 3.37 C ATOM 1186 CD ARG A 76 -3.724 16.624 -2.211 1.00 4.01 C ATOM 1187 NE ARG A 76 -4.898 16.802 -3.079 1.00 4.92 N ATOM 1188 CZ ARG A 76 -5.668 17.904 -3.140 1.00 5.59 C ATOM 1189 NH1 ARG A 76 -5.436 18.971 -2.358 1.00 5.62 N ATOM 1190 NH2 ARG A 76 -6.694 17.936 -4.001 1.00 6.88 N ATOM 0 H ARG A 76 -2.786 12.182 -1.849 1.00 1.77 H new ATOM 0 HA ARG A 76 -1.185 13.455 -2.739 1.00 1.87 H new ATOM 0 HB2 ARG A 76 -2.097 15.202 -0.433 1.00 2.51 H new ATOM 0 HB3 ARG A 76 -1.169 15.780 -1.803 1.00 2.51 H new ATOM 0 HG2 ARG A 76 -3.003 14.932 -3.342 1.00 3.37 H new ATOM 0 HG3 ARG A 76 -3.941 14.495 -1.928 1.00 3.37 H new ATOM 0 HD2 ARG A 76 -3.992 16.853 -1.180 1.00 4.01 H new ATOM 0 HD3 ARG A 76 -2.943 17.327 -2.501 1.00 4.01 H new ATOM 0 HE ARG A 76 -5.150 16.023 -3.687 1.00 4.92 H new ATOM 0 HH11 ARG A 76 -4.660 18.959 -1.696 1.00 5.62 H new ATOM 0 HH12 ARG A 76 -6.036 19.793 -2.426 1.00 5.62 H new ATOM 0 HH21 ARG A 76 -6.883 17.132 -4.599 1.00 6.88 H new ATOM 0 HH22 ARG A 76 -7.286 18.765 -4.058 1.00 6.88 H new ATOM 1204 N LEU A 77 0.668 12.260 -1.198 1.00 1.38 N ATOM 1205 CA LEU A 77 2.030 11.906 -0.809 1.00 1.45 C ATOM 1206 C LEU A 77 3.007 12.275 -1.936 1.00 1.54 C ATOM 1207 O LEU A 77 2.714 12.038 -3.117 1.00 1.67 O ATOM 1208 CB LEU A 77 2.087 10.405 -0.468 1.00 1.56 C ATOM 1209 CG LEU A 77 1.100 9.915 0.608 1.00 1.53 C ATOM 1210 CD1 LEU A 77 1.252 8.409 0.824 1.00 1.57 C ATOM 1211 CD2 LEU A 77 1.309 10.611 1.952 1.00 2.56 C ATOM 0 H LEU A 77 0.122 11.456 -1.509 1.00 1.38 H new ATOM 0 HA LEU A 77 2.326 12.466 0.078 1.00 1.45 H new ATOM 0 HB2 LEU A 77 1.907 9.839 -1.382 1.00 1.56 H new ATOM 0 HB3 LEU A 77 3.099 10.166 -0.139 1.00 1.56 H new ATOM 0 HG LEU A 77 0.102 10.155 0.241 1.00 1.53 H new ATOM 0 HD11 LEU A 77 0.548 8.078 1.587 1.00 1.57 H new ATOM 0 HD12 LEU A 77 1.048 7.885 -0.110 1.00 1.57 H new ATOM 0 HD13 LEU A 77 2.269 8.189 1.149 1.00 1.57 H new ATOM 0 HD21 LEU A 77 0.588 10.230 2.675 1.00 2.56 H new ATOM 0 HD22 LEU A 77 2.320 10.416 2.310 1.00 2.56 H new ATOM 0 HD23 LEU A 77 1.168 11.685 1.831 1.00 2.56 H new ATOM 1223 N GLY A 78 4.152 12.854 -1.572 1.00 1.60 N ATOM 1224 CA GLY A 78 5.188 13.254 -2.528 1.00 1.75 C ATOM 1225 C GLY A 78 5.971 12.082 -3.129 1.00 1.41 C ATOM 1226 O GLY A 78 5.982 10.967 -2.606 1.00 1.16 O ATOM 0 H GLY A 78 4.389 13.060 -0.602 1.00 1.60 H new ATOM 0 HA2 GLY A 78 4.723 13.819 -3.336 1.00 1.75 H new ATOM 0 HA3 GLY A 78 5.887 13.926 -2.030 1.00 1.75 H new ATOM 1230 N ASP A 79 6.650 12.335 -4.245 1.00 1.51 N ATOM 1231 CA ASP A 79 7.244 11.300 -5.105 1.00 1.35 C ATOM 1232 C ASP A 79 8.443 10.550 -4.473 1.00 1.32 C ATOM 1233 O ASP A 79 8.745 9.414 -4.865 1.00 1.75 O ATOM 1234 CB ASP A 79 7.627 11.985 -6.420 1.00 1.52 C ATOM 1235 CG ASP A 79 8.109 10.999 -7.475 1.00 2.24 C ATOM 1236 OD1 ASP A 79 7.375 10.039 -7.790 1.00 2.84 O ATOM 1237 OD2 ASP A 79 9.230 11.200 -8.000 1.00 3.43 O ATOM 0 H ASP A 79 6.809 13.282 -4.589 1.00 1.51 H new ATOM 0 HA ASP A 79 6.509 10.510 -5.264 1.00 1.35 H new ATOM 0 HB2 ASP A 79 6.766 12.531 -6.805 1.00 1.52 H new ATOM 0 HB3 ASP A 79 8.410 12.718 -6.229 1.00 1.52 H new ATOM 1242 N ALA A 80 9.088 11.157 -3.469 1.00 1.27 N ATOM 1243 CA ALA A 80 10.134 10.553 -2.637 1.00 1.41 C ATOM 1244 C ALA A 80 9.629 10.163 -1.231 1.00 1.20 C ATOM 1245 O ALA A 80 10.196 9.267 -0.602 1.00 1.23 O ATOM 1246 CB ALA A 80 11.319 11.525 -2.574 1.00 2.02 C ATOM 0 H ALA A 80 8.887 12.121 -3.204 1.00 1.27 H new ATOM 0 HA ALA A 80 10.451 9.615 -3.092 1.00 1.41 H new ATOM 0 HB1 ALA A 80 12.110 11.095 -1.959 1.00 2.02 H new ATOM 0 HB2 ALA A 80 11.698 11.703 -3.581 1.00 2.02 H new ATOM 0 HB3 ALA A 80 10.993 12.469 -2.137 1.00 2.02 H new ATOM 1252 N GLU A 81 8.546 10.779 -0.745 1.00 1.19 N ATOM 1253 CA GLU A 81 7.844 10.451 0.493 1.00 1.18 C ATOM 1254 C GLU A 81 7.124 9.092 0.385 1.00 0.89 C ATOM 1255 O GLU A 81 7.258 8.258 1.285 1.00 0.88 O ATOM 1256 CB GLU A 81 6.919 11.650 0.785 1.00 1.66 C ATOM 1257 CG GLU A 81 5.789 11.371 1.770 1.00 1.11 C ATOM 1258 CD GLU A 81 5.039 12.646 2.199 1.00 1.34 C ATOM 1259 OE1 GLU A 81 4.739 13.509 1.339 1.00 2.32 O ATOM 1260 OE2 GLU A 81 4.739 12.797 3.407 1.00 1.95 O ATOM 0 H GLU A 81 8.115 11.563 -1.235 1.00 1.19 H new ATOM 0 HA GLU A 81 8.522 10.312 1.335 1.00 1.18 H new ATOM 0 HB2 GLU A 81 7.524 12.470 1.173 1.00 1.66 H new ATOM 0 HB3 GLU A 81 6.485 11.991 -0.155 1.00 1.66 H new ATOM 0 HG2 GLU A 81 5.083 10.675 1.317 1.00 1.11 H new ATOM 0 HG3 GLU A 81 6.197 10.881 2.654 1.00 1.11 H new ATOM 1267 N VAL A 82 6.471 8.806 -0.751 1.00 0.78 N ATOM 1268 CA VAL A 82 5.985 7.453 -1.091 1.00 0.75 C ATOM 1269 C VAL A 82 7.152 6.469 -1.131 1.00 0.67 C ATOM 1270 O VAL A 82 7.100 5.422 -0.495 1.00 0.79 O ATOM 1271 CB VAL A 82 5.235 7.433 -2.444 1.00 0.78 C ATOM 1272 CG1 VAL A 82 4.853 6.011 -2.886 1.00 0.93 C ATOM 1273 CG2 VAL A 82 3.933 8.231 -2.367 1.00 0.95 C ATOM 0 H VAL A 82 6.263 9.505 -1.464 1.00 0.78 H new ATOM 0 HA VAL A 82 5.281 7.154 -0.315 1.00 0.75 H new ATOM 0 HB VAL A 82 5.928 7.872 -3.162 1.00 0.78 H new ATOM 0 HG11 VAL A 82 4.329 6.055 -3.841 1.00 0.93 H new ATOM 0 HG12 VAL A 82 5.755 5.409 -2.994 1.00 0.93 H new ATOM 0 HG13 VAL A 82 4.203 5.559 -2.136 1.00 0.93 H new ATOM 0 HG21 VAL A 82 3.429 8.198 -3.333 1.00 0.95 H new ATOM 0 HG22 VAL A 82 3.285 7.798 -1.605 1.00 0.95 H new ATOM 0 HG23 VAL A 82 4.156 9.266 -2.109 1.00 0.95 H new ATOM 1283 N SER A 83 8.234 6.812 -1.834 1.00 0.61 N ATOM 1284 CA SER A 83 9.395 5.934 -2.042 1.00 0.72 C ATOM 1285 C SER A 83 10.060 5.510 -0.721 1.00 0.65 C ATOM 1286 O SER A 83 10.368 4.334 -0.527 1.00 0.77 O ATOM 1287 CB SER A 83 10.394 6.690 -2.932 1.00 0.92 C ATOM 1288 OG SER A 83 11.166 5.810 -3.722 1.00 2.14 O ATOM 0 H SER A 83 8.333 7.722 -2.283 1.00 0.61 H new ATOM 0 HA SER A 83 9.063 5.012 -2.519 1.00 0.72 H new ATOM 0 HB2 SER A 83 9.853 7.380 -3.580 1.00 0.92 H new ATOM 0 HB3 SER A 83 11.054 7.291 -2.307 1.00 0.92 H new ATOM 0 HG SER A 83 11.788 6.327 -4.275 1.00 2.14 H new ATOM 1294 N ALA A 84 10.183 6.425 0.245 1.00 0.67 N ATOM 1295 CA ALA A 84 10.690 6.112 1.582 1.00 0.73 C ATOM 1296 C ALA A 84 9.773 5.169 2.384 1.00 0.60 C ATOM 1297 O ALA A 84 10.255 4.410 3.231 1.00 0.65 O ATOM 1298 CB ALA A 84 10.872 7.429 2.335 1.00 0.97 C ATOM 0 H ALA A 84 9.933 7.406 0.120 1.00 0.67 H new ATOM 0 HA ALA A 84 11.634 5.580 1.467 1.00 0.73 H new ATOM 0 HB1 ALA A 84 11.250 7.226 3.337 1.00 0.97 H new ATOM 0 HB2 ALA A 84 11.583 8.059 1.800 1.00 0.97 H new ATOM 0 HB3 ALA A 84 9.913 7.943 2.406 1.00 0.97 H new ATOM 1304 N LEU A 85 8.462 5.209 2.123 1.00 0.59 N ATOM 1305 CA LEU A 85 7.451 4.318 2.695 1.00 0.66 C ATOM 1306 C LEU A 85 7.430 2.937 2.013 1.00 0.64 C ATOM 1307 O LEU A 85 7.190 1.940 2.691 1.00 0.78 O ATOM 1308 CB LEU A 85 6.115 5.085 2.665 1.00 1.02 C ATOM 1309 CG LEU A 85 4.878 4.398 3.267 1.00 0.80 C ATOM 1310 CD1 LEU A 85 5.065 3.941 4.712 1.00 2.24 C ATOM 1311 CD2 LEU A 85 3.736 5.416 3.249 1.00 1.64 C ATOM 0 H LEU A 85 8.061 5.892 1.480 1.00 0.59 H new ATOM 0 HA LEU A 85 7.682 4.063 3.729 1.00 0.66 H new ATOM 0 HB2 LEU A 85 6.260 6.030 3.188 1.00 1.02 H new ATOM 0 HB3 LEU A 85 5.891 5.326 1.626 1.00 1.02 H new ATOM 0 HG LEU A 85 4.680 3.507 2.672 1.00 0.80 H new ATOM 0 HD11 LEU A 85 4.149 3.466 5.065 1.00 2.24 H new ATOM 0 HD12 LEU A 85 5.887 3.227 4.764 1.00 2.24 H new ATOM 0 HD13 LEU A 85 5.292 4.803 5.340 1.00 2.24 H new ATOM 0 HD21 LEU A 85 2.838 4.963 3.670 1.00 1.64 H new ATOM 0 HD22 LEU A 85 4.015 6.287 3.842 1.00 1.64 H new ATOM 0 HD23 LEU A 85 3.540 5.724 2.222 1.00 1.64 H new ATOM 1323 N ILE A 86 7.799 2.843 0.730 1.00 0.60 N ATOM 1324 CA ILE A 86 8.101 1.561 0.061 1.00 0.75 C ATOM 1325 C ILE A 86 9.325 0.914 0.729 1.00 0.82 C ATOM 1326 O ILE A 86 9.271 -0.242 1.152 1.00 1.13 O ATOM 1327 CB ILE A 86 8.315 1.740 -1.459 1.00 0.79 C ATOM 1328 CG1 ILE A 86 7.163 2.474 -2.175 1.00 1.21 C ATOM 1329 CG2 ILE A 86 8.530 0.376 -2.133 1.00 1.64 C ATOM 1330 CD1 ILE A 86 5.747 1.997 -1.816 1.00 0.85 C ATOM 0 H ILE A 86 7.898 3.654 0.120 1.00 0.60 H new ATOM 0 HA ILE A 86 7.242 0.899 0.174 1.00 0.75 H new ATOM 0 HB ILE A 86 9.201 2.367 -1.555 1.00 0.79 H new ATOM 0 HG12 ILE A 86 7.237 3.538 -1.948 1.00 1.21 H new ATOM 0 HG13 ILE A 86 7.301 2.367 -3.251 1.00 1.21 H new ATOM 0 HG21 ILE A 86 8.679 0.519 -3.203 1.00 1.64 H new ATOM 0 HG22 ILE A 86 9.409 -0.107 -1.705 1.00 1.64 H new ATOM 0 HG23 ILE A 86 7.655 -0.253 -1.969 1.00 1.64 H new ATOM 0 HD11 ILE A 86 5.014 2.579 -2.375 1.00 0.85 H new ATOM 0 HD12 ILE A 86 5.643 0.942 -2.070 1.00 0.85 H new ATOM 0 HD13 ILE A 86 5.578 2.131 -0.748 1.00 0.85 H new ATOM 1342 N SER A 87 10.397 1.686 0.931 1.00 0.65 N ATOM 1343 CA SER A 87 11.610 1.229 1.627 1.00 0.70 C ATOM 1344 C SER A 87 11.439 0.987 3.135 1.00 0.65 C ATOM 1345 O SER A 87 12.306 0.347 3.730 1.00 0.89 O ATOM 1346 CB SER A 87 12.780 2.177 1.348 1.00 0.86 C ATOM 1347 OG SER A 87 13.226 1.967 0.022 1.00 1.91 O ATOM 0 H SER A 87 10.451 2.654 0.615 1.00 0.65 H new ATOM 0 HA SER A 87 11.829 0.245 1.212 1.00 0.70 H new ATOM 0 HB2 SER A 87 12.468 3.213 1.482 1.00 0.86 H new ATOM 0 HB3 SER A 87 13.591 1.994 2.053 1.00 0.86 H new ATOM 0 HG SER A 87 13.975 2.569 -0.171 1.00 1.91 H new ATOM 1353 N TYR A 88 10.338 1.403 3.778 1.00 0.61 N ATOM 1354 CA TYR A 88 10.006 0.862 5.107 1.00 0.66 C ATOM 1355 C TYR A 88 9.645 -0.632 5.019 1.00 0.67 C ATOM 1356 O TYR A 88 10.247 -1.450 5.719 1.00 0.81 O ATOM 1357 CB TYR A 88 8.914 1.699 5.790 1.00 0.72 C ATOM 1358 CG TYR A 88 8.418 1.143 7.117 1.00 0.73 C ATOM 1359 CD1 TYR A 88 9.336 0.730 8.101 1.00 2.15 C ATOM 1360 CD2 TYR A 88 7.034 1.025 7.364 1.00 1.85 C ATOM 1361 CE1 TYR A 88 8.883 0.132 9.290 1.00 2.32 C ATOM 1362 CE2 TYR A 88 6.573 0.455 8.570 1.00 1.74 C ATOM 1363 CZ TYR A 88 7.500 -0.015 9.527 1.00 0.95 C ATOM 1364 OH TYR A 88 7.065 -0.601 10.673 1.00 1.14 O ATOM 0 H TYR A 88 9.679 2.091 3.414 1.00 0.61 H new ATOM 0 HA TYR A 88 10.891 0.934 5.740 1.00 0.66 H new ATOM 0 HB2 TYR A 88 9.298 2.706 5.955 1.00 0.72 H new ATOM 0 HB3 TYR A 88 8.067 1.788 5.110 1.00 0.72 H new ATOM 0 HD1 TYR A 88 10.395 0.873 7.942 1.00 2.15 H new ATOM 0 HD2 TYR A 88 6.325 1.372 6.627 1.00 1.85 H new ATOM 0 HE1 TYR A 88 9.595 -0.216 10.024 1.00 2.32 H new ATOM 0 HE2 TYR A 88 5.513 0.378 8.761 1.00 1.74 H new ATOM 0 HH TYR A 88 7.232 -0.002 11.430 1.00 1.14 H new ATOM 1374 N LEU A 89 8.738 -0.995 4.103 1.00 0.67 N ATOM 1375 CA LEU A 89 8.279 -2.376 3.885 1.00 0.77 C ATOM 1376 C LEU A 89 9.386 -3.282 3.317 1.00 0.78 C ATOM 1377 O LEU A 89 9.502 -4.435 3.741 1.00 1.11 O ATOM 1378 CB LEU A 89 7.054 -2.366 2.945 1.00 0.85 C ATOM 1379 CG LEU A 89 5.687 -2.127 3.616 1.00 1.07 C ATOM 1380 CD1 LEU A 89 5.584 -0.817 4.396 1.00 1.82 C ATOM 1381 CD2 LEU A 89 4.599 -2.108 2.536 1.00 1.29 C ATOM 0 H LEU A 89 8.292 -0.323 3.478 1.00 0.67 H new ATOM 0 HA LEU A 89 8.001 -2.792 4.854 1.00 0.77 H new ATOM 0 HB2 LEU A 89 7.206 -1.593 2.191 1.00 0.85 H new ATOM 0 HB3 LEU A 89 7.016 -3.321 2.420 1.00 0.85 H new ATOM 0 HG LEU A 89 5.562 -2.940 4.332 1.00 1.07 H new ATOM 0 HD11 LEU A 89 4.590 -0.732 4.834 1.00 1.82 H new ATOM 0 HD12 LEU A 89 6.332 -0.806 5.189 1.00 1.82 H new ATOM 0 HD13 LEU A 89 5.757 0.022 3.722 1.00 1.82 H new ATOM 0 HD21 LEU A 89 3.628 -1.939 3.001 1.00 1.29 H new ATOM 0 HD22 LEU A 89 4.805 -1.307 1.826 1.00 1.29 H new ATOM 0 HD23 LEU A 89 4.590 -3.064 2.012 1.00 1.29 H new ATOM 1393 N GLU A 90 10.197 -2.780 2.379 1.00 0.60 N ATOM 1394 CA GLU A 90 11.296 -3.543 1.758 1.00 0.70 C ATOM 1395 C GLU A 90 12.347 -3.954 2.794 1.00 0.75 C ATOM 1396 O GLU A 90 12.700 -5.132 2.878 1.00 0.87 O ATOM 1397 CB GLU A 90 11.941 -2.735 0.609 1.00 0.91 C ATOM 1398 CG GLU A 90 12.317 -3.576 -0.624 1.00 1.21 C ATOM 1399 CD GLU A 90 13.335 -4.702 -0.381 1.00 1.82 C ATOM 1400 OE1 GLU A 90 14.491 -4.435 0.017 1.00 2.81 O ATOM 1401 OE2 GLU A 90 13.013 -5.879 -0.690 1.00 3.15 O ATOM 0 H GLU A 90 10.112 -1.827 2.024 1.00 0.60 H new ATOM 0 HA GLU A 90 10.872 -4.456 1.339 1.00 0.70 H new ATOM 0 HB2 GLU A 90 11.251 -1.949 0.301 1.00 0.91 H new ATOM 0 HB3 GLU A 90 12.838 -2.243 0.986 1.00 0.91 H new ATOM 0 HG2 GLU A 90 11.407 -4.016 -1.031 1.00 1.21 H new ATOM 0 HG3 GLU A 90 12.717 -2.909 -1.387 1.00 1.21 H new ATOM 1408 N GLU A 91 12.816 -3.010 3.615 1.00 0.77 N ATOM 1409 CA GLU A 91 13.886 -3.266 4.580 1.00 0.98 C ATOM 1410 C GLU A 91 13.394 -3.971 5.862 1.00 1.07 C ATOM 1411 O GLU A 91 14.130 -4.782 6.416 1.00 1.25 O ATOM 1412 CB GLU A 91 14.676 -1.979 4.872 1.00 1.22 C ATOM 1413 CG GLU A 91 15.235 -1.246 3.632 1.00 1.70 C ATOM 1414 CD GLU A 91 16.172 -2.075 2.742 1.00 3.23 C ATOM 1415 OE1 GLU A 91 16.820 -3.037 3.223 1.00 4.14 O ATOM 1416 OE2 GLU A 91 16.264 -1.801 1.520 1.00 4.33 O ATOM 0 H GLU A 91 12.466 -2.052 3.629 1.00 0.77 H new ATOM 0 HA GLU A 91 14.572 -3.976 4.118 1.00 0.98 H new ATOM 0 HB2 GLU A 91 14.029 -1.292 5.417 1.00 1.22 H new ATOM 0 HB3 GLU A 91 15.508 -2.226 5.532 1.00 1.22 H new ATOM 0 HG2 GLU A 91 14.397 -0.902 3.026 1.00 1.70 H new ATOM 0 HG3 GLU A 91 15.772 -0.358 3.967 1.00 1.70 H new ATOM 1423 N GLU A 92 12.137 -3.782 6.294 1.00 1.05 N ATOM 1424 CA GLU A 92 11.537 -4.586 7.382 1.00 1.27 C ATOM 1425 C GLU A 92 11.402 -6.063 6.961 1.00 1.36 C ATOM 1426 O GLU A 92 11.706 -6.968 7.738 1.00 1.62 O ATOM 1427 CB GLU A 92 10.170 -3.983 7.774 1.00 1.36 C ATOM 1428 CG GLU A 92 9.354 -4.748 8.837 1.00 2.17 C ATOM 1429 CD GLU A 92 9.888 -4.738 10.279 1.00 2.68 C ATOM 1430 OE1 GLU A 92 11.058 -4.374 10.547 1.00 3.22 O ATOM 1431 OE2 GLU A 92 9.137 -5.170 11.187 1.00 3.44 O ATOM 0 H GLU A 92 11.510 -3.077 5.907 1.00 1.05 H new ATOM 0 HA GLU A 92 12.192 -4.558 8.253 1.00 1.27 H new ATOM 0 HB2 GLU A 92 10.337 -2.969 8.138 1.00 1.36 H new ATOM 0 HB3 GLU A 92 9.563 -3.902 6.872 1.00 1.36 H new ATOM 0 HG2 GLU A 92 8.345 -4.336 8.848 1.00 2.17 H new ATOM 0 HG3 GLU A 92 9.271 -5.786 8.515 1.00 2.17 H new ATOM 1438 N THR A 93 11.017 -6.312 5.702 1.00 1.23 N ATOM 1439 CA THR A 93 10.963 -7.660 5.105 1.00 1.35 C ATOM 1440 C THR A 93 12.363 -8.253 4.904 1.00 1.51 C ATOM 1441 O THR A 93 12.579 -9.448 5.112 1.00 1.80 O ATOM 1442 CB THR A 93 10.207 -7.609 3.765 1.00 1.28 C ATOM 1443 OG1 THR A 93 8.899 -7.115 3.954 1.00 1.86 O ATOM 1444 CG2 THR A 93 10.080 -8.972 3.094 1.00 1.39 C ATOM 0 H THR A 93 10.730 -5.575 5.058 1.00 1.23 H new ATOM 0 HA THR A 93 10.430 -8.311 5.798 1.00 1.35 H new ATOM 0 HB THR A 93 10.797 -6.954 3.124 1.00 1.28 H new ATOM 0 HG1 THR A 93 8.910 -6.136 3.912 1.00 1.86 H new ATOM 0 HG21 THR A 93 9.537 -8.866 2.155 1.00 1.39 H new ATOM 0 HG22 THR A 93 11.074 -9.374 2.896 1.00 1.39 H new ATOM 0 HG23 THR A 93 9.538 -9.652 3.751 1.00 1.39 H new ATOM 1452 N ALA A 94 13.346 -7.420 4.547 1.00 1.48 N ATOM 1453 CA ALA A 94 14.739 -7.836 4.428 1.00 1.81 C ATOM 1454 C ALA A 94 15.327 -8.238 5.792 1.00 2.02 C ATOM 1455 O ALA A 94 15.983 -9.273 5.890 1.00 2.28 O ATOM 1456 CB ALA A 94 15.539 -6.704 3.780 1.00 1.80 C ATOM 0 H ALA A 94 13.193 -6.435 4.332 1.00 1.48 H new ATOM 0 HA ALA A 94 14.797 -8.722 3.796 1.00 1.81 H new ATOM 0 HB1 ALA A 94 16.583 -7.004 3.686 1.00 1.80 H new ATOM 0 HB2 ALA A 94 15.132 -6.490 2.792 1.00 1.80 H new ATOM 0 HB3 ALA A 94 15.473 -5.810 4.400 1.00 1.80 H new ATOM 1462 N ARG A 95 15.039 -7.473 6.853 1.00 2.04 N ATOM 1463 CA ARG A 95 15.508 -7.727 8.223 1.00 2.36 C ATOM 1464 C ARG A 95 14.839 -8.949 8.852 1.00 2.71 C ATOM 1465 O ARG A 95 15.552 -9.865 9.264 1.00 3.52 O ATOM 1466 CB ARG A 95 15.331 -6.460 9.078 1.00 2.28 C ATOM 1467 CG ARG A 95 16.370 -5.384 8.707 1.00 2.87 C ATOM 1468 CD ARG A 95 16.034 -4.002 9.284 1.00 2.92 C ATOM 1469 NE ARG A 95 15.966 -3.994 10.754 1.00 3.03 N ATOM 1470 CZ ARG A 95 17.012 -3.948 11.600 1.00 3.88 C ATOM 1471 NH1 ARG A 95 18.281 -3.921 11.162 1.00 4.62 N ATOM 1472 NH2 ARG A 95 16.774 -3.925 12.919 1.00 5.03 N ATOM 0 H ARG A 95 14.458 -6.638 6.781 1.00 2.04 H new ATOM 0 HA ARG A 95 16.570 -7.967 8.180 1.00 2.36 H new ATOM 0 HB2 ARG A 95 14.326 -6.062 8.938 1.00 2.28 H new ATOM 0 HB3 ARG A 95 15.429 -6.714 10.133 1.00 2.28 H new ATOM 0 HG2 ARG A 95 17.351 -5.694 9.068 1.00 2.87 H new ATOM 0 HG3 ARG A 95 16.438 -5.312 7.622 1.00 2.87 H new ATOM 0 HD2 ARG A 95 16.787 -3.285 8.957 1.00 2.92 H new ATOM 0 HD3 ARG A 95 15.078 -3.668 8.880 1.00 2.92 H new ATOM 0 HE ARG A 95 15.036 -4.026 11.172 1.00 3.03 H new ATOM 0 HH11 ARG A 95 18.475 -3.935 10.161 1.00 4.62 H new ATOM 0 HH12 ARG A 95 19.051 -3.886 11.830 1.00 4.62 H new ATOM 0 HH21 ARG A 95 15.814 -3.942 13.264 1.00 5.03 H new ATOM 0 HH22 ARG A 95 17.552 -3.890 13.577 1.00 5.03 H new ATOM 1486 N LEU A 96 13.500 -8.969 8.906 1.00 2.34 N ATOM 1487 CA LEU A 96 12.597 -10.012 9.448 1.00 2.68 C ATOM 1488 C LEU A 96 12.775 -10.366 10.950 1.00 2.90 C ATOM 1489 O LEU A 96 11.800 -10.652 11.649 1.00 3.22 O ATOM 1490 CB LEU A 96 12.646 -11.242 8.506 1.00 3.72 C ATOM 1491 CG LEU A 96 11.376 -12.030 8.187 1.00 4.53 C ATOM 1492 CD1 LEU A 96 10.682 -12.510 9.439 1.00 4.42 C ATOM 1493 CD2 LEU A 96 10.426 -11.185 7.360 1.00 4.82 C ATOM 0 H LEU A 96 12.964 -8.183 8.538 1.00 2.34 H new ATOM 0 HA LEU A 96 11.592 -9.589 9.457 1.00 2.68 H new ATOM 0 HB2 LEU A 96 13.060 -10.903 7.557 1.00 3.72 H new ATOM 0 HB3 LEU A 96 13.361 -11.945 8.933 1.00 3.72 H new ATOM 0 HG LEU A 96 11.673 -12.908 7.614 1.00 4.53 H new ATOM 0 HD11 LEU A 96 9.784 -13.065 9.167 1.00 4.42 H new ATOM 0 HD12 LEU A 96 11.354 -13.159 10.001 1.00 4.42 H new ATOM 0 HD13 LEU A 96 10.406 -11.653 10.054 1.00 4.42 H new ATOM 0 HD21 LEU A 96 9.526 -11.759 7.140 1.00 4.82 H new ATOM 0 HD22 LEU A 96 10.157 -10.288 7.918 1.00 4.82 H new ATOM 0 HD23 LEU A 96 10.911 -10.900 6.427 1.00 4.82 H new ATOM 1505 N GLN A 97 13.985 -10.293 11.503 1.00 3.39 N ATOM 1506 CA GLN A 97 14.328 -10.574 12.906 1.00 4.37 C ATOM 1507 C GLN A 97 14.028 -9.373 13.841 1.00 5.18 C ATOM 1508 O GLN A 97 14.830 -9.016 14.708 1.00 6.52 O ATOM 1509 CB GLN A 97 15.780 -11.101 12.957 1.00 4.88 C ATOM 1510 CG GLN A 97 15.896 -12.510 12.331 1.00 4.70 C ATOM 1511 CD GLN A 97 17.333 -13.011 12.172 1.00 5.50 C ATOM 1512 OE1 GLN A 97 18.308 -12.394 12.587 1.00 6.41 O ATOM 1513 NE2 GLN A 97 17.530 -14.144 11.539 1.00 5.85 N ATOM 0 H GLN A 97 14.802 -10.021 10.957 1.00 3.39 H new ATOM 0 HA GLN A 97 13.684 -11.358 13.305 1.00 4.37 H new ATOM 0 HB2 GLN A 97 16.437 -10.411 12.427 1.00 4.88 H new ATOM 0 HB3 GLN A 97 16.120 -11.133 13.992 1.00 4.88 H new ATOM 0 HG2 GLN A 97 15.343 -13.217 12.950 1.00 4.70 H new ATOM 0 HG3 GLN A 97 15.416 -12.501 11.352 1.00 4.70 H new ATOM 0 HE21 GLN A 97 16.735 -14.675 11.185 1.00 5.85 H new ATOM 0 HE22 GLN A 97 18.478 -14.493 11.402 1.00 5.85 H new ATOM 1522 N THR A 98 12.865 -8.730 13.656 1.00 4.85 N ATOM 1523 CA THR A 98 12.453 -7.448 14.271 1.00 6.02 C ATOM 1524 C THR A 98 11.096 -7.530 15.009 1.00 6.46 C ATOM 1525 O THR A 98 10.135 -6.861 14.618 1.00 6.78 O ATOM 1526 CB THR A 98 12.448 -6.332 13.201 1.00 6.53 C ATOM 1527 OG1 THR A 98 11.620 -6.658 12.101 1.00 6.69 O ATOM 1528 CG2 THR A 98 13.839 -6.095 12.621 1.00 7.19 C ATOM 0 H THR A 98 12.144 -9.107 13.041 1.00 4.85 H new ATOM 0 HA THR A 98 13.187 -7.208 15.040 1.00 6.02 H new ATOM 0 HB THR A 98 12.081 -5.446 13.719 1.00 6.53 H new ATOM 0 HG1 THR A 98 10.714 -6.854 12.420 1.00 6.69 H new ATOM 0 HG21 THR A 98 13.791 -5.303 11.873 1.00 7.19 H new ATOM 0 HG22 THR A 98 14.520 -5.800 13.419 1.00 7.19 H new ATOM 0 HG23 THR A 98 14.200 -7.012 12.156 1.00 7.19 H new ATOM 1536 N PRO A 99 10.957 -8.345 16.077 1.00 7.03 N ATOM 1537 CA PRO A 99 9.679 -8.629 16.750 1.00 7.90 C ATOM 1538 C PRO A 99 9.259 -7.529 17.755 1.00 8.94 C ATOM 1539 O PRO A 99 8.906 -7.821 18.901 1.00 9.92 O ATOM 1540 CB PRO A 99 9.907 -10.008 17.386 1.00 8.53 C ATOM 1541 CG PRO A 99 11.366 -9.924 17.829 1.00 8.52 C ATOM 1542 CD PRO A 99 12.008 -9.170 16.666 1.00 7.37 C ATOM 0 HA PRO A 99 8.833 -8.635 16.062 1.00 7.90 H new ATOM 0 HB2 PRO A 99 9.236 -10.184 18.227 1.00 8.53 H new ATOM 0 HB3 PRO A 99 9.744 -10.817 16.673 1.00 8.53 H new ATOM 0 HG2 PRO A 99 11.476 -9.389 18.772 1.00 8.52 H new ATOM 0 HG3 PRO A 99 11.807 -10.911 17.969 1.00 8.52 H new ATOM 0 HD2 PRO A 99 12.837 -8.553 17.014 1.00 7.37 H new ATOM 0 HD3 PRO A 99 12.414 -9.864 15.931 1.00 7.37 H new ATOM 1550 N VAL A 100 9.345 -6.255 17.351 1.00 9.02 N ATOM 1551 CA VAL A 100 9.375 -5.074 18.242 1.00 10.19 C ATOM 1552 C VAL A 100 8.143 -4.162 18.104 1.00 10.95 C ATOM 1553 O VAL A 100 7.620 -3.996 16.995 1.00 11.14 O ATOM 1554 CB VAL A 100 10.705 -4.315 18.028 1.00 10.39 C ATOM 1555 CG1 VAL A 100 10.758 -3.530 16.709 1.00 10.73 C ATOM 1556 CG2 VAL A 100 11.022 -3.359 19.183 1.00 11.72 C ATOM 0 H VAL A 100 9.398 -6.003 16.364 1.00 9.02 H new ATOM 0 HA VAL A 100 9.326 -5.428 19.272 1.00 10.19 H new ATOM 0 HB VAL A 100 11.460 -5.100 17.987 1.00 10.39 H new ATOM 0 HG11 VAL A 100 11.719 -3.023 16.626 1.00 10.73 H new ATOM 0 HG12 VAL A 100 10.637 -4.217 15.872 1.00 10.73 H new ATOM 0 HG13 VAL A 100 9.956 -2.792 16.692 1.00 10.73 H new ATOM 0 HG21 VAL A 100 11.965 -2.850 18.986 1.00 11.72 H new ATOM 0 HG22 VAL A 100 10.224 -2.622 19.275 1.00 11.72 H new ATOM 0 HG23 VAL A 100 11.102 -3.924 20.112 1.00 11.72 H new ATOM 1566 N THR A 101 7.697 -3.528 19.198 1.00 11.72 N ATOM 1567 CA THR A 101 6.610 -2.524 19.187 1.00 12.67 C ATOM 1568 C THR A 101 6.998 -1.271 18.401 1.00 13.13 C ATOM 1569 O THR A 101 6.297 -0.898 17.464 1.00 13.81 O ATOM 1570 CB THR A 101 6.184 -2.089 20.603 1.00 13.62 C ATOM 1571 OG1 THR A 101 7.301 -1.659 21.350 1.00 13.95 O ATOM 1572 CG2 THR A 101 5.500 -3.207 21.382 1.00 13.93 C ATOM 0 H THR A 101 8.081 -3.696 20.128 1.00 11.72 H new ATOM 0 HA THR A 101 5.771 -3.023 18.701 1.00 12.67 H new ATOM 0 HB THR A 101 5.474 -1.274 20.463 1.00 13.62 H new ATOM 0 HG1 THR A 101 7.010 -1.385 22.245 1.00 13.95 H new ATOM 0 HG21 THR A 101 5.222 -2.844 22.371 1.00 13.93 H new ATOM 0 HG22 THR A 101 4.605 -3.527 20.848 1.00 13.93 H new ATOM 0 HG23 THR A 101 6.183 -4.050 21.484 1.00 13.93 H new ATOM 1580 N ASN A 102 8.121 -0.641 18.761 1.00 13.11 N ATOM 1581 CA ASN A 102 8.778 0.450 18.040 1.00 13.79 C ATOM 1582 C ASN A 102 10.262 0.536 18.454 1.00 14.11 C ATOM 1583 O ASN A 102 10.589 0.402 19.637 1.00 14.20 O ATOM 1584 CB ASN A 102 8.048 1.774 18.331 1.00 14.64 C ATOM 1585 CG ASN A 102 8.732 2.943 17.649 1.00 15.37 C ATOM 1586 OD1 ASN A 102 9.609 3.585 18.209 1.00 16.10 O ATOM 1587 ND2 ASN A 102 8.422 3.224 16.410 1.00 15.54 N ATOM 0 H ASN A 102 8.623 -0.895 19.612 1.00 13.11 H new ATOM 0 HA ASN A 102 8.734 0.258 16.968 1.00 13.79 H new ATOM 0 HB2 ASN A 102 7.015 1.705 17.989 1.00 14.64 H new ATOM 0 HB3 ASN A 102 8.017 1.946 19.407 1.00 14.64 H new ATOM 0 HD21 ASN A 102 8.910 3.973 15.919 1.00 15.54 H new ATOM 0 HD22 ASN A 102 7.692 2.694 15.934 1.00 15.54 H new ATOM 1594 N ARG A 103 11.155 0.786 17.489 1.00 14.75 N ATOM 1595 CA ARG A 103 12.624 0.768 17.655 1.00 15.60 C ATOM 1596 C ARG A 103 13.252 1.994 18.352 1.00 16.43 C ATOM 1597 O ARG A 103 14.435 1.942 18.693 1.00 17.10 O ATOM 1598 CB ARG A 103 13.270 0.491 16.283 1.00 16.33 C ATOM 1599 CG ARG A 103 13.186 1.682 15.316 1.00 17.29 C ATOM 1600 CD ARG A 103 13.714 1.325 13.922 1.00 18.21 C ATOM 1601 NE ARG A 103 13.803 2.529 13.079 1.00 19.24 N ATOM 1602 CZ ARG A 103 13.447 2.643 11.788 1.00 20.13 C ATOM 1603 NH1 ARG A 103 12.983 1.602 11.081 1.00 20.20 N ATOM 1604 NH2 ARG A 103 13.563 3.838 11.195 1.00 21.20 N ATOM 0 H ARG A 103 10.871 1.015 16.536 1.00 14.75 H new ATOM 0 HA ARG A 103 12.839 -0.035 18.360 1.00 15.60 H new ATOM 0 HB2 ARG A 103 14.317 0.225 16.430 1.00 16.33 H new ATOM 0 HB3 ARG A 103 12.783 -0.372 15.828 1.00 16.33 H new ATOM 0 HG2 ARG A 103 12.151 2.014 15.238 1.00 17.29 H new ATOM 0 HG3 ARG A 103 13.759 2.517 15.718 1.00 17.29 H new ATOM 0 HD2 ARG A 103 14.696 0.860 14.007 1.00 18.21 H new ATOM 0 HD3 ARG A 103 13.055 0.594 13.454 1.00 18.21 H new ATOM 0 HE ARG A 103 14.176 3.368 13.523 1.00 19.24 H new ATOM 0 HH11 ARG A 103 12.891 0.687 11.522 1.00 20.20 H new ATOM 0 HH12 ARG A 103 12.722 1.726 10.103 1.00 20.20 H new ATOM 0 HH21 ARG A 103 13.915 4.637 11.722 1.00 21.20 H new ATOM 0 HH22 ARG A 103 13.299 3.949 10.216 1.00 21.20 H new ATOM 1618 N GLY A 104 12.496 3.076 18.564 1.00 16.62 N ATOM 1619 CA GLY A 104 12.979 4.368 19.080 1.00 17.60 C ATOM 1620 C GLY A 104 13.788 5.148 18.035 1.00 18.09 C ATOM 1621 O GLY A 104 14.867 4.709 17.618 1.00 18.47 O ATOM 0 H GLY A 104 11.494 3.080 18.375 1.00 16.62 H new ATOM 0 HA2 GLY A 104 12.128 4.969 19.400 1.00 17.60 H new ATOM 0 HA3 GLY A 104 13.598 4.196 19.961 1.00 17.60 H new ATOM 1625 N ILE A 105 13.260 6.289 17.583 1.00 18.30 N ATOM 1626 CA ILE A 105 13.631 6.920 16.304 1.00 18.82 C ATOM 1627 C ILE A 105 13.873 8.438 16.417 1.00 19.95 C ATOM 1628 O ILE A 105 13.069 9.135 17.039 1.00 20.09 O ATOM 1629 CB ILE A 105 12.596 6.618 15.191 1.00 18.19 C ATOM 1630 CG1 ILE A 105 11.172 7.211 15.355 1.00 17.87 C ATOM 1631 CG2 ILE A 105 12.521 5.108 14.910 1.00 17.64 C ATOM 1632 CD1 ILE A 105 10.352 6.791 16.583 1.00 17.22 C ATOM 0 H ILE A 105 12.552 6.811 18.099 1.00 18.30 H new ATOM 0 HA ILE A 105 14.583 6.468 16.026 1.00 18.82 H new ATOM 0 HB ILE A 105 12.996 7.159 14.333 1.00 18.19 H new ATOM 0 HG12 ILE A 105 11.263 8.297 15.370 1.00 17.87 H new ATOM 0 HG13 ILE A 105 10.598 6.951 14.466 1.00 17.87 H new ATOM 0 HG21 ILE A 105 11.788 4.920 14.125 1.00 17.64 H new ATOM 0 HG22 ILE A 105 13.498 4.749 14.587 1.00 17.64 H new ATOM 0 HG23 ILE A 105 12.223 4.583 15.818 1.00 17.64 H new ATOM 0 HD11 ILE A 105 9.381 7.286 16.559 1.00 17.22 H new ATOM 0 HD12 ILE A 105 10.208 5.711 16.572 1.00 17.22 H new ATOM 0 HD13 ILE A 105 10.883 7.077 17.491 1.00 17.22 H new ATOM 1644 N PRO A 106 14.935 8.985 15.788 1.00 20.94 N ATOM 1645 CA PRO A 106 15.200 10.422 15.726 1.00 22.14 C ATOM 1646 C PRO A 106 14.347 11.124 14.662 1.00 22.41 C ATOM 1647 O PRO A 106 13.714 12.149 14.996 1.00 22.66 O ATOM 1648 CB PRO A 106 16.704 10.534 15.464 1.00 23.14 C ATOM 1649 CG PRO A 106 17.014 9.295 14.628 1.00 22.70 C ATOM 1650 CD PRO A 106 16.035 8.255 15.171 1.00 21.23 C ATOM 1651 OXT PRO A 106 14.281 10.674 13.519 1.00 22.57 O ATOM 0 HA PRO A 106 14.924 10.930 16.650 1.00 22.14 H new ATOM 0 HB2 PRO A 106 16.951 11.451 14.929 1.00 23.14 H new ATOM 0 HB3 PRO A 106 17.274 10.544 16.393 1.00 23.14 H new ATOM 0 HG2 PRO A 106 16.859 9.477 13.565 1.00 22.70 H new ATOM 0 HG3 PRO A 106 18.049 8.976 14.749 1.00 22.70 H new ATOM 0 HD2 PRO A 106 15.670 7.614 14.369 1.00 21.23 H new ATOM 0 HD3 PRO A 106 16.524 7.608 15.899 1.00 21.23 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -3.860 0.516 2.852 1.00 0.61 FE HETATM 1661 CHA HEC A 107 -4.262 -2.379 0.917 1.00 0.85 C HETATM 1662 CHB HEC A 107 -0.510 0.602 1.934 1.00 0.78 C HETATM 1663 CHC HEC A 107 -3.591 3.630 4.337 1.00 0.71 C HETATM 1664 CHD HEC A 107 -7.184 0.268 3.860 1.00 0.77 C HETATM 1665 NA HEC A 107 -2.607 -0.689 1.664 1.00 0.68 N HETATM 1666 C1A HEC A 107 -2.994 -1.806 0.980 1.00 0.77 C HETATM 1667 C2A HEC A 107 -1.838 -2.322 0.280 1.00 0.85 C HETATM 1668 C3A HEC A 107 -0.771 -1.523 0.622 1.00 0.83 C HETATM 1669 C4A HEC A 107 -1.277 -0.457 1.458 1.00 0.74 C HETATM 1670 CMA HEC A 107 0.660 -1.729 0.178 1.00 0.93 C HETATM 1671 CAA HEC A 107 -1.806 -3.497 -0.681 1.00 1.03 C HETATM 1672 CBA HEC A 107 -1.520 -4.837 0.005 1.00 1.30 C HETATM 1673 CGA HEC A 107 -1.715 -6.035 -0.919 1.00 1.45 C HETATM 1674 O1A HEC A 107 -2.222 -7.068 -0.431 1.00 1.97 O HETATM 1675 O2A HEC A 107 -1.342 -5.928 -2.103 1.00 2.62 O HETATM 1676 NB HEC A 107 -2.334 1.893 3.051 1.00 0.67 N HETATM 1677 C1B HEC A 107 -1.043 1.687 2.650 1.00 0.75 C HETATM 1678 C2B HEC A 107 -0.264 2.805 3.129 1.00 0.89 C HETATM 1679 C3B HEC A 107 -1.135 3.697 3.725 1.00 0.80 C HETATM 1680 C4B HEC A 107 -2.450 3.093 3.710 1.00 0.71 C HETATM 1681 CMB HEC A 107 1.240 2.942 3.049 1.00 1.20 C HETATM 1682 CAB HEC A 107 -0.763 5.013 4.392 1.00 0.86 C HETATM 1683 CBB HEC A 107 -0.357 6.090 3.387 1.00 1.11 C HETATM 1684 NC HEC A 107 -5.152 1.722 3.928 1.00 0.63 N HETATM 1685 C1C HEC A 107 -4.805 2.931 4.463 1.00 0.67 C HETATM 1686 C2C HEC A 107 -5.919 3.374 5.268 1.00 0.71 C HETATM 1687 C3C HEC A 107 -6.903 2.406 5.186 1.00 0.71 C HETATM 1688 C4C HEC A 107 -6.434 1.384 4.275 1.00 0.68 C HETATM 1689 CMC HEC A 107 -5.954 4.632 6.112 1.00 0.82 C HETATM 1690 CAC HEC A 107 -8.183 2.340 6.001 1.00 0.78 C HETATM 1691 CBC HEC A 107 -9.110 3.531 5.755 1.00 0.91 C HETATM 1692 ND HEC A 107 -5.458 -0.796 2.425 1.00 0.73 N HETATM 1693 C1D HEC A 107 -6.712 -0.695 2.957 1.00 0.81 C HETATM 1694 C2D HEC A 107 -7.496 -1.783 2.413 1.00 1.02 C HETATM 1695 C3D HEC A 107 -6.669 -2.523 1.603 1.00 0.97 C HETATM 1696 C4D HEC A 107 -5.379 -1.875 1.594 1.00 0.85 C HETATM 1697 CMD HEC A 107 -8.944 -2.115 2.700 1.00 1.27 C HETATM 1698 CAD HEC A 107 -6.938 -3.921 1.085 1.00 1.07 C HETATM 1699 CBD HEC A 107 -6.474 -5.021 2.061 1.00 2.93 C HETATM 1700 CGD HEC A 107 -5.255 -4.645 2.899 1.00 4.67 C HETATM 1701 O1D HEC A 107 -4.137 -5.011 2.485 1.00 5.67 O HETATM 1702 O2D HEC A 107 -5.441 -3.955 3.922 1.00 5.47 O HETATM 0 HMD3 HEC A 107 -9.068 -2.314 3.765 1.00 1.27 H new HETATM 0 HMD2 HEC A 107 -9.574 -1.273 2.413 1.00 1.27 H new HETATM 0 HMD1 HEC A 107 -9.235 -2.997 2.130 1.00 1.27 H new HETATM 0 HMC3 HEC A 107 -5.163 4.590 6.861 1.00 0.82 H new HETATM 0 HMC2 HEC A 107 -5.803 5.503 5.474 1.00 0.82 H new HETATM 0 HMC1 HEC A 107 -6.921 4.710 6.609 1.00 0.82 H new HETATM 0 HMB3 HEC A 107 1.709 2.122 3.593 1.00 1.20 H new HETATM 0 HMB2 HEC A 107 1.553 2.911 2.005 1.00 1.20 H new HETATM 0 HMB1 HEC A 107 1.543 3.891 3.491 1.00 1.20 H new HETATM 0 HMA3 HEC A 107 1.012 -2.701 0.523 1.00 0.93 H new HETATM 0 HMA2 HEC A 107 0.713 -1.689 -0.910 1.00 0.93 H new HETATM 0 HMA1 HEC A 107 1.289 -0.945 0.601 1.00 0.93 H new HETATM 0 HBD2 HEC A 107 -7.298 -5.268 2.730 1.00 2.93 H new HETATM 0 HBD1 HEC A 107 -6.245 -5.922 1.492 1.00 2.93 H new HETATM 0 HBC3 HEC A 107 -8.595 4.454 6.022 1.00 0.91 H new HETATM 0 HBC2 HEC A 107 -9.390 3.563 4.702 1.00 0.91 H new HETATM 0 HBC1 HEC A 107 -10.007 3.426 6.366 1.00 0.91 H new HETATM 0 HBB3 HEC A 107 0.507 5.749 2.817 1.00 1.11 H new HETATM 0 HBB2 HEC A 107 -1.186 6.284 2.707 1.00 1.11 H new HETATM 0 HBB1 HEC A 107 -0.102 7.007 3.919 1.00 1.11 H new HETATM 0 HBA2 HEC A 107 -0.496 -4.836 0.378 1.00 1.30 H new HETATM 0 HBA1 HEC A 107 -2.174 -4.943 0.870 1.00 1.30 H new HETATM 0 HAD2 HEC A 107 -8.006 -4.035 0.898 1.00 1.07 H new HETATM 0 HAD1 HEC A 107 -6.431 -4.053 0.129 1.00 1.07 H new HETATM 0 HAA2 HEC A 107 -2.763 -3.559 -1.199 1.00 1.03 H new HETATM 0 HAA1 HEC A 107 -1.044 -3.316 -1.439 1.00 1.03 H new HETATM 0 HHD HEC A 107 -8.189 0.145 4.264 1.00 0.77 H new HETATM 0 HHC HEC A 107 -3.530 4.639 4.745 1.00 0.71 H new HETATM 0 HHB HEC A 107 0.563 0.589 1.741 1.00 0.78 H new HETATM 0 HHA HEC A 107 -4.392 -3.272 0.305 1.00 0.85 H new HETATM 0 H2D HEC A 107 -6.402 -3.894 4.105 1.00 5.47 H new