USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot -82:sc= 1.28 USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= -1.89! C(o=-4.1!,f=-0.61!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 5 TYR OH : rot -145:sc= -2.86! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -149:sc= -1.94 (180deg=-4.02!) USER MOD Single : A 26 GLN : amide:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0271 X(o=-0.027,f=-0.34) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0957) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0112) USER MOD Single : A 39 THR OG1 : rot -54:sc= 0.995 USER MOD Single : A 41 SER OG : rot 83:sc= 0.109 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.5) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0102) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.248 F(o=-0.87,f=-0.25) USER MOD Single : A 59 THR OG1 : rot -170:sc= -1.63 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.98 K(o=-7,f=-15!) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0.104 (180deg=0.0765) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -158:sc= 0 (180deg=-0.125) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -86:sc= 0.768 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.707 F(o=-6.7!,f=-0.71) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.866 -2.540 -0.914 1.00 24.14 N ATOM 2 CA MET A 1 3.065 -1.710 -0.864 1.00 74.50 C ATOM 3 C MET A 1 2.745 -0.270 -1.251 1.00 70.13 C ATOM 4 O MET A 1 2.080 -0.021 -2.257 1.00 4.14 O ATOM 5 CB MET A 1 4.140 -2.274 -1.795 1.00 22.45 C ATOM 6 CG MET A 1 5.402 -2.713 -1.069 1.00 71.43 C ATOM 7 SD MET A 1 6.323 -3.971 -1.976 1.00 54.42 S ATOM 8 CE MET A 1 5.460 -5.455 -1.467 1.00 31.40 C ATOM 0 H1 MET A 1 2.108 -3.516 -0.647 1.00 24.14 H new ATOM 0 H2 MET A 1 1.157 -2.165 -0.252 1.00 24.14 H new ATOM 0 H3 MET A 1 1.478 -2.531 -1.879 1.00 24.14 H new ATOM 0 HA MET A 1 3.440 -1.718 0.159 1.00 74.50 H new ATOM 0 HB2 MET A 1 3.729 -3.125 -2.339 1.00 22.45 H new ATOM 0 HB3 MET A 1 4.401 -1.518 -2.536 1.00 22.45 H new ATOM 0 HG2 MET A 1 6.043 -1.846 -0.906 1.00 71.43 H new ATOM 0 HG3 MET A 1 5.135 -3.102 -0.086 1.00 71.43 H new ATOM 0 HE1 MET A 1 5.914 -6.322 -1.946 1.00 31.40 H new ATOM 0 HE2 MET A 1 5.527 -5.562 -0.384 1.00 31.40 H new ATOM 0 HE3 MET A 1 4.413 -5.386 -1.760 1.00 31.40 H new ATOM 18 N ALA A 2 3.222 0.674 -0.447 1.00 2.10 N ATOM 19 CA ALA A 2 2.988 2.089 -0.707 1.00 44.11 C ATOM 20 C ALA A 2 3.747 2.552 -1.946 1.00 52.23 C ATOM 21 O ALA A 2 3.238 3.346 -2.739 1.00 32.42 O ATOM 22 CB ALA A 2 3.390 2.921 0.502 1.00 41.34 C ATOM 0 H ALA A 2 3.773 0.485 0.390 1.00 2.10 H new ATOM 0 HA ALA A 2 1.923 2.228 -0.892 1.00 44.11 H new ATOM 0 HB1 ALA A 2 3.210 3.976 0.294 1.00 41.34 H new ATOM 0 HB2 ALA A 2 2.800 2.616 1.366 1.00 41.34 H new ATOM 0 HB3 ALA A 2 4.448 2.768 0.713 1.00 41.34 H new ATOM 28 N THR A 3 4.968 2.052 -2.108 1.00 41.33 N ATOM 29 CA THR A 3 5.798 2.416 -3.250 1.00 54.20 C ATOM 30 C THR A 3 5.017 2.306 -4.554 1.00 74.04 C ATOM 31 O THR A 3 5.066 3.202 -5.398 1.00 14.12 O ATOM 32 CB THR A 3 7.052 1.527 -3.339 1.00 60.32 C ATOM 33 OG1 THR A 3 6.737 0.193 -2.925 1.00 70.54 O ATOM 34 CG2 THR A 3 8.172 2.081 -2.471 1.00 55.33 C ATOM 0 H THR A 3 5.404 1.394 -1.463 1.00 41.33 H new ATOM 0 HA THR A 3 6.106 3.451 -3.100 1.00 54.20 H new ATOM 0 HB THR A 3 7.389 1.516 -4.376 1.00 60.32 H new ATOM 0 HG1 THR A 3 7.539 -0.367 -2.986 1.00 70.54 H new ATOM 0 HG21 THR A 3 9.047 1.436 -2.551 1.00 55.33 H new ATOM 0 HG22 THR A 3 8.430 3.085 -2.807 1.00 55.33 H new ATOM 0 HG23 THR A 3 7.843 2.119 -1.433 1.00 55.33 H new ATOM 42 N THR A 4 4.295 1.201 -4.715 1.00 55.31 N ATOM 43 CA THR A 4 3.503 0.974 -5.917 1.00 70.35 C ATOM 44 C THR A 4 2.730 2.227 -6.312 1.00 61.03 C ATOM 45 O THR A 4 2.738 2.632 -7.475 1.00 13.21 O ATOM 46 CB THR A 4 2.510 -0.188 -5.725 1.00 64.40 C ATOM 47 OG1 THR A 4 3.055 -1.152 -4.817 1.00 31.41 O ATOM 48 CG2 THR A 4 2.196 -0.858 -7.055 1.00 3.54 C ATOM 0 H THR A 4 4.243 0.449 -4.027 1.00 55.31 H new ATOM 0 HA THR A 4 4.203 0.717 -6.712 1.00 70.35 H new ATOM 0 HB THR A 4 1.586 0.217 -5.314 1.00 64.40 H new ATOM 0 HG1 THR A 4 3.674 -1.740 -5.297 1.00 31.41 H new ATOM 0 HG21 THR A 4 1.493 -1.675 -6.894 1.00 3.54 H new ATOM 0 HG22 THR A 4 1.755 -0.129 -7.735 1.00 3.54 H new ATOM 0 HG23 THR A 4 3.115 -1.251 -7.491 1.00 3.54 H new ATOM 56 N TYR A 5 2.064 2.837 -5.338 1.00 44.11 N ATOM 57 CA TYR A 5 1.285 4.044 -5.585 1.00 13.22 C ATOM 58 C TYR A 5 2.171 5.285 -5.536 1.00 63.10 C ATOM 59 O TYR A 5 2.016 6.203 -6.340 1.00 40.31 O ATOM 60 CB TYR A 5 0.158 4.168 -4.557 1.00 63.14 C ATOM 61 CG TYR A 5 -0.658 2.905 -4.399 1.00 1.13 C ATOM 62 CD1 TYR A 5 -1.867 2.748 -5.066 1.00 24.51 C ATOM 63 CD2 TYR A 5 -0.221 1.870 -3.581 1.00 53.12 C ATOM 64 CE1 TYR A 5 -2.616 1.596 -4.924 1.00 32.25 C ATOM 65 CE2 TYR A 5 -0.964 0.714 -3.434 1.00 45.40 C ATOM 66 CZ TYR A 5 -2.160 0.582 -4.107 1.00 12.00 C ATOM 67 OH TYR A 5 -2.903 -0.567 -3.962 1.00 32.11 O ATOM 0 H TYR A 5 2.048 2.515 -4.370 1.00 44.11 H new ATOM 0 HA TYR A 5 0.852 3.968 -6.583 1.00 13.22 H new ATOM 0 HB2 TYR A 5 0.586 4.437 -3.591 1.00 63.14 H new ATOM 0 HB3 TYR A 5 -0.503 4.983 -4.851 1.00 63.14 H new ATOM 0 HD1 TYR A 5 -2.227 3.540 -5.706 1.00 24.51 H new ATOM 0 HD2 TYR A 5 0.715 1.971 -3.051 1.00 53.12 H new ATOM 0 HE1 TYR A 5 -3.553 1.490 -5.450 1.00 32.25 H new ATOM 0 HE2 TYR A 5 -0.610 -0.082 -2.795 1.00 45.40 H new ATOM 0 HH TYR A 5 -2.812 -0.902 -3.046 1.00 32.11 H new ATOM 77 N GLU A 6 3.101 5.303 -4.586 1.00 64.44 N ATOM 78 CA GLU A 6 4.013 6.430 -4.432 1.00 42.01 C ATOM 79 C GLU A 6 4.871 6.611 -5.681 1.00 55.44 C ATOM 80 O GLU A 6 5.427 7.684 -5.914 1.00 23.14 O ATOM 81 CB GLU A 6 4.911 6.225 -3.210 1.00 15.32 C ATOM 82 CG GLU A 6 5.926 7.337 -3.007 1.00 63.04 C ATOM 83 CD GLU A 6 7.323 6.937 -3.441 1.00 62.03 C ATOM 84 OE1 GLU A 6 7.873 7.595 -4.350 1.00 34.32 O ATOM 85 OE2 GLU A 6 7.867 5.967 -2.873 1.00 74.11 O ATOM 0 H GLU A 6 3.242 4.550 -3.912 1.00 64.44 H new ATOM 0 HA GLU A 6 3.415 7.330 -4.289 1.00 42.01 H new ATOM 0 HB2 GLU A 6 4.287 6.147 -2.320 1.00 15.32 H new ATOM 0 HB3 GLU A 6 5.439 5.277 -3.313 1.00 15.32 H new ATOM 0 HG2 GLU A 6 5.613 8.217 -3.569 1.00 63.04 H new ATOM 0 HG3 GLU A 6 5.944 7.620 -1.955 1.00 63.04 H new ATOM 92 N GLU A 7 4.971 5.554 -6.481 1.00 45.44 N ATOM 93 CA GLU A 7 5.762 5.597 -7.706 1.00 30.21 C ATOM 94 C GLU A 7 4.914 6.066 -8.885 1.00 2.22 C ATOM 95 O GLU A 7 5.371 6.846 -9.721 1.00 63.42 O ATOM 96 CB GLU A 7 6.353 4.218 -8.006 1.00 30.42 C ATOM 97 CG GLU A 7 7.638 4.269 -8.816 1.00 33.15 C ATOM 98 CD GLU A 7 8.478 3.016 -8.657 1.00 14.40 C ATOM 99 OE1 GLU A 7 8.498 2.454 -7.542 1.00 61.10 O ATOM 100 OE2 GLU A 7 9.114 2.599 -9.647 1.00 2.03 O ATOM 0 H GLU A 7 4.515 4.659 -6.304 1.00 45.44 H new ATOM 0 HA GLU A 7 6.574 6.309 -7.559 1.00 30.21 H new ATOM 0 HB2 GLU A 7 6.547 3.703 -7.065 1.00 30.42 H new ATOM 0 HB3 GLU A 7 5.615 3.626 -8.548 1.00 30.42 H new ATOM 0 HG2 GLU A 7 7.394 4.407 -9.869 1.00 33.15 H new ATOM 0 HG3 GLU A 7 8.223 5.136 -8.508 1.00 33.15 H new ATOM 107 N PHE A 8 3.677 5.586 -8.945 1.00 32.54 N ATOM 108 CA PHE A 8 2.765 5.954 -10.021 1.00 73.11 C ATOM 109 C PHE A 8 2.381 7.428 -9.928 1.00 72.23 C ATOM 110 O PHE A 8 2.353 8.137 -10.933 1.00 41.43 O ATOM 111 CB PHE A 8 1.507 5.084 -9.973 1.00 21.31 C ATOM 112 CG PHE A 8 1.797 3.610 -9.982 1.00 61.04 C ATOM 113 CD1 PHE A 8 3.023 3.134 -10.420 1.00 55.44 C ATOM 114 CD2 PHE A 8 0.844 2.700 -9.554 1.00 10.23 C ATOM 115 CE1 PHE A 8 3.293 1.779 -10.430 1.00 72.11 C ATOM 116 CE2 PHE A 8 1.109 1.344 -9.561 1.00 33.32 C ATOM 117 CZ PHE A 8 2.334 0.882 -10.001 1.00 1.44 C ATOM 0 H PHE A 8 3.283 4.941 -8.261 1.00 32.54 H new ATOM 0 HA PHE A 8 3.277 5.789 -10.969 1.00 73.11 H new ATOM 0 HB2 PHE A 8 0.939 5.329 -9.075 1.00 21.31 H new ATOM 0 HB3 PHE A 8 0.874 5.327 -10.827 1.00 21.31 H new ATOM 0 HD1 PHE A 8 3.776 3.831 -10.757 1.00 55.44 H new ATOM 0 HD2 PHE A 8 -0.117 3.055 -9.211 1.00 10.23 H new ATOM 0 HE1 PHE A 8 4.253 1.422 -10.773 1.00 72.11 H new ATOM 0 HE2 PHE A 8 0.358 0.645 -9.222 1.00 33.32 H new ATOM 0 HZ PHE A 8 2.542 -0.178 -10.010 1.00 1.44 H new ATOM 127 N ALA A 9 2.085 7.881 -8.714 1.00 71.44 N ATOM 128 CA ALA A 9 1.704 9.269 -8.489 1.00 50.41 C ATOM 129 C ALA A 9 2.837 10.218 -8.867 1.00 30.43 C ATOM 130 O ALA A 9 2.606 11.391 -9.156 1.00 43.23 O ATOM 131 CB ALA A 9 1.301 9.477 -7.037 1.00 2.24 C ATOM 0 H ALA A 9 2.102 7.306 -7.871 1.00 71.44 H new ATOM 0 HA ALA A 9 0.849 9.493 -9.127 1.00 50.41 H new ATOM 0 HB1 ALA A 9 1.019 10.519 -6.883 1.00 2.24 H new ATOM 0 HB2 ALA A 9 0.455 8.833 -6.798 1.00 2.24 H new ATOM 0 HB3 ALA A 9 2.140 9.229 -6.387 1.00 2.24 H new ATOM 137 N ALA A 10 4.061 9.701 -8.861 1.00 5.04 N ATOM 138 CA ALA A 10 5.230 10.502 -9.204 1.00 21.22 C ATOM 139 C ALA A 10 5.489 10.479 -10.706 1.00 51.45 C ATOM 140 O ALA A 10 5.980 11.454 -11.277 1.00 71.52 O ATOM 141 CB ALA A 10 6.453 10.002 -8.448 1.00 54.32 C ATOM 0 H ALA A 10 4.269 8.731 -8.622 1.00 5.04 H new ATOM 0 HA ALA A 10 5.032 11.533 -8.911 1.00 21.22 H new ATOM 0 HB1 ALA A 10 7.318 10.609 -8.714 1.00 54.32 H new ATOM 0 HB2 ALA A 10 6.273 10.076 -7.375 1.00 54.32 H new ATOM 0 HB3 ALA A 10 6.644 8.962 -8.713 1.00 54.32 H new ATOM 147 N LYS A 11 5.156 9.361 -11.343 1.00 3.33 N ATOM 148 CA LYS A 11 5.352 9.211 -12.780 1.00 11.12 C ATOM 149 C LYS A 11 4.136 9.716 -13.550 1.00 72.40 C ATOM 150 O LYS A 11 4.208 9.957 -14.756 1.00 21.02 O ATOM 151 CB LYS A 11 5.618 7.745 -13.129 1.00 35.13 C ATOM 152 CG LYS A 11 6.647 7.559 -14.230 1.00 32.40 C ATOM 153 CD LYS A 11 8.045 7.382 -13.662 1.00 61.33 C ATOM 154 CE LYS A 11 8.742 8.720 -13.470 1.00 61.13 C ATOM 155 NZ LYS A 11 10.214 8.612 -13.667 1.00 62.14 N ATOM 0 H LYS A 11 4.749 8.545 -10.886 1.00 3.33 H new ATOM 0 HA LYS A 11 6.217 9.809 -13.068 1.00 11.12 H new ATOM 0 HB2 LYS A 11 5.957 7.223 -12.234 1.00 35.13 H new ATOM 0 HB3 LYS A 11 4.682 7.278 -13.435 1.00 35.13 H new ATOM 0 HG2 LYS A 11 6.385 6.689 -14.831 1.00 32.40 H new ATOM 0 HG3 LYS A 11 6.630 8.423 -14.895 1.00 32.40 H new ATOM 0 HD2 LYS A 11 7.987 6.860 -12.707 1.00 61.33 H new ATOM 0 HD3 LYS A 11 8.635 6.756 -14.332 1.00 61.33 H new ATOM 0 HE2 LYS A 11 8.334 9.446 -14.173 1.00 61.13 H new ATOM 0 HE3 LYS A 11 8.536 9.096 -12.468 1.00 61.13 H new ATOM 0 HZ1 LYS A 11 10.652 9.545 -13.527 1.00 62.14 H new ATOM 0 HZ2 LYS A 11 10.608 7.938 -12.980 1.00 62.14 H new ATOM 0 HZ3 LYS A 11 10.412 8.278 -14.632 1.00 62.14 H new ATOM 169 N LEU A 12 3.020 9.874 -12.847 1.00 0.42 N ATOM 170 CA LEU A 12 1.788 10.352 -13.465 1.00 12.25 C ATOM 171 C LEU A 12 1.611 11.850 -13.239 1.00 1.40 C ATOM 172 O LEU A 12 1.008 12.545 -14.058 1.00 24.32 O ATOM 173 CB LEU A 12 0.584 9.595 -12.901 1.00 24.42 C ATOM 174 CG LEU A 12 0.262 8.256 -13.566 1.00 43.12 C ATOM 175 CD1 LEU A 12 -0.644 8.463 -14.770 1.00 63.21 C ATOM 176 CD2 LEU A 12 1.542 7.542 -13.976 1.00 3.40 C ATOM 0 H LEU A 12 2.943 9.678 -11.849 1.00 0.42 H new ATOM 0 HA LEU A 12 1.855 10.170 -14.538 1.00 12.25 H new ATOM 0 HB2 LEU A 12 0.756 9.419 -11.839 1.00 24.42 H new ATOM 0 HB3 LEU A 12 -0.293 10.237 -12.980 1.00 24.42 H new ATOM 0 HG LEU A 12 -0.263 7.631 -12.844 1.00 43.12 H new ATOM 0 HD11 LEU A 12 -0.863 7.500 -15.231 1.00 63.21 H new ATOM 0 HD12 LEU A 12 -1.574 8.931 -14.449 1.00 63.21 H new ATOM 0 HD13 LEU A 12 -0.145 9.107 -15.494 1.00 63.21 H new ATOM 0 HD21 LEU A 12 1.293 6.591 -14.447 1.00 3.40 H new ATOM 0 HD22 LEU A 12 2.095 8.163 -14.681 1.00 3.40 H new ATOM 0 HD23 LEU A 12 2.156 7.360 -13.094 1.00 3.40 H new ATOM 188 N ASP A 13 2.142 12.342 -12.125 1.00 40.31 N ATOM 189 CA ASP A 13 2.046 13.759 -11.793 1.00 40.01 C ATOM 190 C ASP A 13 2.686 14.616 -12.880 1.00 44.52 C ATOM 191 O ASP A 13 2.428 15.817 -12.971 1.00 31.34 O ATOM 192 CB ASP A 13 2.717 14.036 -10.447 1.00 33.13 C ATOM 193 CG ASP A 13 1.718 14.125 -9.310 1.00 12.42 C ATOM 194 OD1 ASP A 13 2.068 13.727 -8.179 1.00 71.31 O ATOM 195 OD2 ASP A 13 0.586 14.595 -9.551 1.00 22.04 O ATOM 0 H ASP A 13 2.643 11.781 -11.437 1.00 40.31 H new ATOM 0 HA ASP A 13 0.990 14.020 -11.724 1.00 40.01 H new ATOM 0 HB2 ASP A 13 3.437 13.246 -10.234 1.00 33.13 H new ATOM 0 HB3 ASP A 13 3.277 14.969 -10.509 1.00 33.13 H new ATOM 200 N ARG A 14 3.524 13.992 -13.702 1.00 54.55 N ATOM 201 CA ARG A 14 4.203 14.699 -14.782 1.00 33.11 C ATOM 202 C ARG A 14 3.449 14.534 -16.098 1.00 62.45 C ATOM 203 O ARG A 14 3.853 15.074 -17.129 1.00 71.33 O ATOM 204 CB ARG A 14 5.636 14.185 -14.934 1.00 54.11 C ATOM 205 CG ARG A 14 6.663 15.014 -14.180 1.00 70.32 C ATOM 206 CD ARG A 14 6.883 16.365 -14.842 1.00 63.24 C ATOM 207 NE ARG A 14 7.884 17.163 -14.138 1.00 72.45 N ATOM 208 CZ ARG A 14 8.248 18.383 -14.515 1.00 13.42 C ATOM 209 NH1 ARG A 14 7.696 18.944 -15.582 1.00 72.11 N ATOM 210 NH2 ARG A 14 9.165 19.046 -13.822 1.00 42.55 N ATOM 0 H ARG A 14 3.749 12.999 -13.641 1.00 54.55 H new ATOM 0 HA ARG A 14 4.229 15.759 -14.529 1.00 33.11 H new ATOM 0 HB2 ARG A 14 5.683 13.155 -14.581 1.00 54.11 H new ATOM 0 HB3 ARG A 14 5.898 14.172 -15.992 1.00 54.11 H new ATOM 0 HG2 ARG A 14 6.330 15.161 -13.153 1.00 70.32 H new ATOM 0 HG3 ARG A 14 7.607 14.472 -14.135 1.00 70.32 H new ATOM 0 HD2 ARG A 14 7.199 16.216 -15.874 1.00 63.24 H new ATOM 0 HD3 ARG A 14 5.940 16.911 -14.873 1.00 63.24 H new ATOM 0 HE ARG A 14 8.327 16.761 -13.312 1.00 72.45 H new ATOM 0 HH11 ARG A 14 6.989 18.438 -16.116 1.00 72.11 H new ATOM 0 HH12 ARG A 14 7.978 19.881 -15.869 1.00 72.11 H new ATOM 0 HH21 ARG A 14 9.590 18.618 -12.999 1.00 42.55 H new ATOM 0 HH22 ARG A 14 9.444 19.983 -14.112 1.00 42.55 H new ATOM 224 N LEU A 15 2.354 13.784 -16.057 1.00 35.33 N ATOM 225 CA LEU A 15 1.543 13.546 -17.246 1.00 41.43 C ATOM 226 C LEU A 15 0.170 14.196 -17.108 1.00 41.44 C ATOM 227 O LEU A 15 -0.332 14.814 -18.047 1.00 75.04 O ATOM 228 CB LEU A 15 1.387 12.044 -17.490 1.00 13.35 C ATOM 229 CG LEU A 15 2.579 11.173 -17.095 1.00 65.41 C ATOM 230 CD1 LEU A 15 2.351 9.731 -17.521 1.00 31.31 C ATOM 231 CD2 LEU A 15 3.862 11.715 -17.708 1.00 62.15 C ATOM 0 H LEU A 15 2.007 13.330 -15.212 1.00 35.33 H new ATOM 0 HA LEU A 15 2.053 13.995 -18.099 1.00 41.43 H new ATOM 0 HB2 LEU A 15 0.511 11.696 -16.942 1.00 13.35 H new ATOM 0 HB3 LEU A 15 1.183 11.887 -18.549 1.00 13.35 H new ATOM 0 HG LEU A 15 2.679 11.198 -16.010 1.00 65.41 H new ATOM 0 HD11 LEU A 15 3.210 9.126 -17.231 1.00 31.31 H new ATOM 0 HD12 LEU A 15 1.455 9.345 -17.035 1.00 31.31 H new ATOM 0 HD13 LEU A 15 2.224 9.687 -18.603 1.00 31.31 H new ATOM 0 HD21 LEU A 15 4.700 11.082 -17.416 1.00 62.15 H new ATOM 0 HD22 LEU A 15 3.772 11.720 -18.794 1.00 62.15 H new ATOM 0 HD23 LEU A 15 4.034 12.731 -17.353 1.00 62.15 H new ATOM 243 N ASP A 16 -0.430 14.055 -15.932 1.00 31.12 N ATOM 244 CA ASP A 16 -1.744 14.631 -15.669 1.00 42.14 C ATOM 245 C ASP A 16 -2.710 14.322 -16.808 1.00 72.25 C ATOM 246 O ASP A 16 -3.574 15.133 -17.140 1.00 50.12 O ATOM 247 CB ASP A 16 -1.631 16.144 -15.476 1.00 52.21 C ATOM 248 CG ASP A 16 -0.577 16.520 -14.454 1.00 0.43 C ATOM 249 OD1 ASP A 16 0.508 16.983 -14.863 1.00 5.41 O ATOM 250 OD2 ASP A 16 -0.838 16.353 -13.244 1.00 63.32 O ATOM 0 H ASP A 16 -0.028 13.547 -15.145 1.00 31.12 H new ATOM 0 HA ASP A 16 -2.134 14.184 -14.755 1.00 42.14 H new ATOM 0 HB2 ASP A 16 -1.391 16.612 -16.431 1.00 52.21 H new ATOM 0 HB3 ASP A 16 -2.596 16.540 -15.161 1.00 52.21 H new ATOM 255 N ALA A 17 -2.557 13.144 -17.404 1.00 71.32 N ATOM 256 CA ALA A 17 -3.417 12.727 -18.505 1.00 45.02 C ATOM 257 C ALA A 17 -4.503 11.772 -18.022 1.00 53.45 C ATOM 258 O ALA A 17 -5.693 12.054 -18.157 1.00 15.41 O ATOM 259 CB ALA A 17 -2.589 12.076 -19.603 1.00 61.34 C ATOM 0 H ALA A 17 -1.845 12.461 -17.143 1.00 71.32 H new ATOM 0 HA ALA A 17 -3.904 13.614 -18.910 1.00 45.02 H new ATOM 0 HB1 ALA A 17 -3.243 11.769 -20.419 1.00 61.34 H new ATOM 0 HB2 ALA A 17 -1.854 12.789 -19.976 1.00 61.34 H new ATOM 0 HB3 ALA A 17 -2.075 11.202 -19.202 1.00 61.34 H new ATOM 265 N GLU A 18 -4.085 10.642 -17.461 1.00 52.30 N ATOM 266 CA GLU A 18 -5.025 9.646 -16.960 1.00 63.11 C ATOM 267 C GLU A 18 -5.373 9.913 -15.499 1.00 13.13 C ATOM 268 O GLU A 18 -6.535 10.135 -15.157 1.00 31.25 O ATOM 269 CB GLU A 18 -4.438 8.240 -17.107 1.00 52.31 C ATOM 270 CG GLU A 18 -5.246 7.167 -16.397 1.00 64.42 C ATOM 271 CD GLU A 18 -6.741 7.369 -16.543 1.00 12.42 C ATOM 272 OE1 GLU A 18 -7.211 7.509 -17.691 1.00 52.35 O ATOM 273 OE2 GLU A 18 -7.441 7.389 -15.509 1.00 74.42 O ATOM 0 H GLU A 18 -3.103 10.393 -17.342 1.00 52.30 H new ATOM 0 HA GLU A 18 -5.938 9.715 -17.551 1.00 63.11 H new ATOM 0 HB2 GLU A 18 -4.372 7.992 -18.166 1.00 52.31 H new ATOM 0 HB3 GLU A 18 -3.421 8.237 -16.714 1.00 52.31 H new ATOM 0 HG2 GLU A 18 -4.975 6.190 -16.796 1.00 64.42 H new ATOM 0 HG3 GLU A 18 -4.986 7.162 -15.339 1.00 64.42 H new ATOM 280 N PHE A 19 -4.359 9.890 -14.641 1.00 22.23 N ATOM 281 CA PHE A 19 -4.557 10.128 -13.216 1.00 30.23 C ATOM 282 C PHE A 19 -5.311 11.433 -12.982 1.00 54.41 C ATOM 283 O PHE A 19 -6.257 11.484 -12.196 1.00 52.15 O ATOM 284 CB PHE A 19 -3.210 10.167 -12.491 1.00 42.44 C ATOM 285 CG PHE A 19 -2.864 8.881 -11.797 1.00 53.03 C ATOM 286 CD1 PHE A 19 -2.648 8.853 -10.429 1.00 74.10 C ATOM 287 CD2 PHE A 19 -2.755 7.700 -12.513 1.00 62.15 C ATOM 288 CE1 PHE A 19 -2.331 7.671 -9.787 1.00 64.31 C ATOM 289 CE2 PHE A 19 -2.438 6.515 -11.877 1.00 63.21 C ATOM 290 CZ PHE A 19 -2.224 6.500 -10.512 1.00 52.35 C ATOM 0 H PHE A 19 -3.391 9.709 -14.908 1.00 22.23 H new ATOM 0 HA PHE A 19 -5.153 9.308 -12.816 1.00 30.23 H new ATOM 0 HB2 PHE A 19 -2.426 10.404 -13.210 1.00 42.44 H new ATOM 0 HB3 PHE A 19 -3.225 10.973 -11.758 1.00 42.44 H new ATOM 0 HD1 PHE A 19 -2.728 9.766 -9.857 1.00 74.10 H new ATOM 0 HD2 PHE A 19 -2.920 7.706 -13.580 1.00 62.15 H new ATOM 0 HE1 PHE A 19 -2.167 7.663 -8.720 1.00 64.31 H new ATOM 0 HE2 PHE A 19 -2.358 5.601 -12.447 1.00 63.21 H new ATOM 0 HZ PHE A 19 -1.974 5.575 -10.013 1.00 52.35 H new ATOM 300 N ALA A 20 -4.885 12.487 -13.670 1.00 40.42 N ATOM 301 CA ALA A 20 -5.520 13.793 -13.540 1.00 31.15 C ATOM 302 C ALA A 20 -7.000 13.722 -13.900 1.00 70.03 C ATOM 303 O ALA A 20 -7.829 14.407 -13.301 1.00 75.31 O ATOM 304 CB ALA A 20 -4.810 14.815 -14.414 1.00 41.24 C ATOM 0 H ALA A 20 -4.102 12.462 -14.324 1.00 40.42 H new ATOM 0 HA ALA A 20 -5.441 14.106 -12.499 1.00 31.15 H new ATOM 0 HB1 ALA A 20 -5.295 15.785 -14.307 1.00 41.24 H new ATOM 0 HB2 ALA A 20 -3.767 14.895 -14.107 1.00 41.24 H new ATOM 0 HB3 ALA A 20 -4.858 14.499 -15.456 1.00 41.24 H new ATOM 310 N LYS A 21 -7.325 12.890 -14.884 1.00 32.11 N ATOM 311 CA LYS A 21 -8.705 12.728 -15.325 1.00 54.42 C ATOM 312 C LYS A 21 -9.433 11.697 -14.469 1.00 32.00 C ATOM 313 O LYS A 21 -10.661 11.613 -14.489 1.00 55.41 O ATOM 314 CB LYS A 21 -8.746 12.307 -16.796 1.00 33.53 C ATOM 315 CG LYS A 21 -9.183 13.417 -17.735 1.00 54.12 C ATOM 316 CD LYS A 21 -10.313 12.965 -18.645 1.00 15.31 C ATOM 317 CE LYS A 21 -11.349 14.063 -18.834 1.00 51.14 C ATOM 318 NZ LYS A 21 -12.700 13.507 -19.125 1.00 2.24 N ATOM 0 H LYS A 21 -6.651 12.317 -15.391 1.00 32.11 H new ATOM 0 HA LYS A 21 -9.210 13.687 -15.214 1.00 54.42 H new ATOM 0 HB2 LYS A 21 -7.757 11.960 -17.093 1.00 33.53 H new ATOM 0 HB3 LYS A 21 -9.426 11.462 -16.904 1.00 33.53 H new ATOM 0 HG2 LYS A 21 -9.506 14.280 -17.154 1.00 54.12 H new ATOM 0 HG3 LYS A 21 -8.335 13.739 -18.339 1.00 54.12 H new ATOM 0 HD2 LYS A 21 -9.907 12.675 -19.614 1.00 15.31 H new ATOM 0 HD3 LYS A 21 -10.791 12.081 -18.222 1.00 15.31 H new ATOM 0 HE2 LYS A 21 -11.395 14.677 -17.935 1.00 51.14 H new ATOM 0 HE3 LYS A 21 -11.041 14.716 -19.651 1.00 51.14 H new ATOM 0 HZ1 LYS A 21 -13.377 14.287 -19.247 1.00 2.24 H new ATOM 0 HZ2 LYS A 21 -12.662 12.941 -19.997 1.00 2.24 H new ATOM 0 HZ3 LYS A 21 -13.005 12.904 -18.334 1.00 2.24 H new ATOM 332 N LYS A 22 -8.668 10.914 -13.716 1.00 72.22 N ATOM 333 CA LYS A 22 -9.239 9.889 -12.850 1.00 54.41 C ATOM 334 C LYS A 22 -9.493 10.440 -11.450 1.00 72.24 C ATOM 335 O LYS A 22 -10.401 9.990 -10.752 1.00 23.34 O ATOM 336 CB LYS A 22 -8.306 8.679 -12.772 1.00 44.43 C ATOM 337 CG LYS A 22 -9.031 7.346 -12.832 1.00 51.32 C ATOM 338 CD LYS A 22 -8.056 6.184 -12.920 1.00 0.33 C ATOM 339 CE LYS A 22 -8.361 5.121 -11.876 1.00 74.43 C ATOM 340 NZ LYS A 22 -7.521 5.282 -10.658 1.00 22.44 N ATOM 0 H LYS A 22 -7.650 10.970 -13.688 1.00 72.22 H new ATOM 0 HA LYS A 22 -10.192 9.577 -13.278 1.00 54.41 H new ATOM 0 HB2 LYS A 22 -7.589 8.730 -13.592 1.00 44.43 H new ATOM 0 HB3 LYS A 22 -7.735 8.731 -11.845 1.00 44.43 H new ATOM 0 HG2 LYS A 22 -9.657 7.231 -11.947 1.00 51.32 H new ATOM 0 HG3 LYS A 22 -9.695 7.331 -13.696 1.00 51.32 H new ATOM 0 HD2 LYS A 22 -8.104 5.742 -13.915 1.00 0.33 H new ATOM 0 HD3 LYS A 22 -7.039 6.550 -12.782 1.00 0.33 H new ATOM 0 HE2 LYS A 22 -9.414 5.175 -11.600 1.00 74.43 H new ATOM 0 HE3 LYS A 22 -8.194 4.133 -12.304 1.00 74.43 H new ATOM 0 HZ1 LYS A 22 -7.759 4.538 -9.971 1.00 22.44 H new ATOM 0 HZ2 LYS A 22 -6.517 5.205 -10.916 1.00 22.44 H new ATOM 0 HZ3 LYS A 22 -7.699 6.215 -10.234 1.00 22.44 H new ATOM 354 N MET A 23 -8.687 11.417 -11.048 1.00 64.43 N ATOM 355 CA MET A 23 -8.827 12.030 -9.733 1.00 24.24 C ATOM 356 C MET A 23 -10.108 12.853 -9.650 1.00 73.10 C ATOM 357 O MET A 23 -10.701 12.988 -8.580 1.00 75.45 O ATOM 358 CB MET A 23 -7.617 12.916 -9.428 1.00 72.11 C ATOM 359 CG MET A 23 -6.973 12.623 -8.083 1.00 3.11 C ATOM 360 SD MET A 23 -8.095 12.902 -6.700 1.00 30.34 S ATOM 361 CE MET A 23 -8.580 14.601 -6.994 1.00 72.52 C ATOM 0 H MET A 23 -7.930 11.801 -11.614 1.00 64.43 H new ATOM 0 HA MET A 23 -8.880 11.232 -8.992 1.00 24.24 H new ATOM 0 HB2 MET A 23 -6.873 12.784 -10.214 1.00 72.11 H new ATOM 0 HB3 MET A 23 -7.926 13.961 -9.454 1.00 72.11 H new ATOM 0 HG2 MET A 23 -6.632 11.588 -8.066 1.00 3.11 H new ATOM 0 HG3 MET A 23 -6.091 13.252 -7.962 1.00 3.11 H new ATOM 0 HE1 MET A 23 -8.785 15.091 -6.042 1.00 72.52 H new ATOM 0 HE2 MET A 23 -7.774 15.126 -7.506 1.00 72.52 H new ATOM 0 HE3 MET A 23 -9.477 14.621 -7.613 1.00 72.52 H new ATOM 371 N GLU A 24 -10.529 13.401 -10.786 1.00 22.11 N ATOM 372 CA GLU A 24 -11.740 14.211 -10.840 1.00 3.53 C ATOM 373 C GLU A 24 -12.982 13.329 -10.922 1.00 41.02 C ATOM 374 O GLU A 24 -13.946 13.527 -10.184 1.00 0.03 O ATOM 375 CB GLU A 24 -11.693 15.159 -12.040 1.00 60.35 C ATOM 376 CG GLU A 24 -12.984 15.931 -12.257 1.00 64.33 C ATOM 377 CD GLU A 24 -12.861 16.978 -13.347 1.00 2.44 C ATOM 378 OE1 GLU A 24 -12.548 16.604 -14.496 1.00 43.03 O ATOM 379 OE2 GLU A 24 -13.077 18.172 -13.050 1.00 32.20 O ATOM 0 H GLU A 24 -10.049 13.299 -11.680 1.00 22.11 H new ATOM 0 HA GLU A 24 -11.794 14.799 -9.924 1.00 3.53 H new ATOM 0 HB2 GLU A 24 -10.875 15.866 -11.902 1.00 60.35 H new ATOM 0 HB3 GLU A 24 -11.468 14.584 -12.938 1.00 60.35 H new ATOM 0 HG2 GLU A 24 -13.781 15.234 -12.516 1.00 64.33 H new ATOM 0 HG3 GLU A 24 -13.275 16.415 -11.325 1.00 64.33 H new ATOM 386 N GLU A 25 -12.950 12.355 -11.827 1.00 0.32 N ATOM 387 CA GLU A 25 -14.074 11.444 -12.007 1.00 23.43 C ATOM 388 C GLU A 25 -14.044 10.330 -10.964 1.00 4.35 C ATOM 389 O GLU A 25 -14.914 9.461 -10.944 1.00 73.13 O ATOM 390 CB GLU A 25 -14.050 10.841 -13.413 1.00 21.31 C ATOM 391 CG GLU A 25 -15.398 10.876 -14.113 1.00 60.30 C ATOM 392 CD GLU A 25 -15.385 11.737 -15.361 1.00 11.32 C ATOM 393 OE1 GLU A 25 -16.408 12.400 -15.634 1.00 60.20 O ATOM 394 OE2 GLU A 25 -14.353 11.749 -16.064 1.00 12.13 O ATOM 0 H GLU A 25 -12.159 12.177 -12.446 1.00 0.32 H new ATOM 0 HA GLU A 25 -14.994 12.014 -11.879 1.00 23.43 H new ATOM 0 HB2 GLU A 25 -13.322 11.381 -14.018 1.00 21.31 H new ATOM 0 HB3 GLU A 25 -13.709 9.808 -13.350 1.00 21.31 H new ATOM 0 HG2 GLU A 25 -15.691 9.861 -14.380 1.00 60.30 H new ATOM 0 HG3 GLU A 25 -16.152 11.255 -13.423 1.00 60.30 H new ATOM 401 N GLN A 26 -13.035 10.365 -10.099 1.00 22.12 N ATOM 402 CA GLN A 26 -12.890 9.358 -9.054 1.00 13.43 C ATOM 403 C GLN A 26 -14.145 9.287 -8.190 1.00 32.41 C ATOM 404 O GLN A 26 -14.647 8.202 -7.896 1.00 42.51 O ATOM 405 CB GLN A 26 -11.673 9.670 -8.181 1.00 72.21 C ATOM 406 CG GLN A 26 -10.684 8.519 -8.083 1.00 55.31 C ATOM 407 CD GLN A 26 -10.611 7.930 -6.688 1.00 72.03 C ATOM 408 OE1 GLN A 26 -10.935 6.761 -6.478 1.00 72.31 O ATOM 409 NE2 GLN A 26 -10.184 8.738 -5.725 1.00 43.35 N ATOM 0 H GLN A 26 -12.307 11.079 -10.101 1.00 22.12 H new ATOM 0 HA GLN A 26 -12.745 8.390 -9.534 1.00 13.43 H new ATOM 0 HB2 GLN A 26 -11.162 10.544 -8.584 1.00 72.21 H new ATOM 0 HB3 GLN A 26 -12.013 9.933 -7.179 1.00 72.21 H new ATOM 0 HG2 GLN A 26 -10.969 7.739 -8.788 1.00 55.31 H new ATOM 0 HG3 GLN A 26 -9.695 8.869 -8.378 1.00 55.31 H new ATOM 0 HE21 GLN A 26 -9.926 9.700 -5.944 1.00 43.35 H new ATOM 0 HE22 GLN A 26 -10.114 8.397 -4.766 1.00 43.35 H new ATOM 418 N ASN A 27 -14.647 10.449 -7.786 1.00 2.22 N ATOM 419 CA ASN A 27 -15.843 10.518 -6.954 1.00 60.14 C ATOM 420 C ASN A 27 -16.972 9.688 -7.557 1.00 34.34 C ATOM 421 O ASN A 27 -17.727 9.031 -6.838 1.00 42.33 O ATOM 422 CB ASN A 27 -16.294 11.971 -6.792 1.00 63.00 C ATOM 423 CG ASN A 27 -17.613 12.088 -6.053 1.00 2.00 C ATOM 424 OD1 ASN A 27 -18.684 11.988 -6.652 1.00 44.11 O ATOM 425 ND2 ASN A 27 -17.541 12.301 -4.744 1.00 43.23 N ATOM 0 H ASN A 27 -14.244 11.356 -8.021 1.00 2.22 H new ATOM 0 HA ASN A 27 -15.598 10.109 -5.974 1.00 60.14 H new ATOM 0 HB2 ASN A 27 -15.528 12.528 -6.253 1.00 63.00 H new ATOM 0 HB3 ASN A 27 -16.390 12.431 -7.776 1.00 63.00 H new ATOM 0 HD21 ASN A 27 -18.395 12.388 -4.194 1.00 43.23 H new ATOM 0 HD22 ASN A 27 -16.631 12.377 -4.289 1.00 43.23 H new ATOM 432 N LYS A 28 -17.083 9.721 -8.880 1.00 62.22 N ATOM 433 CA LYS A 28 -18.118 8.971 -9.581 1.00 71.42 C ATOM 434 C LYS A 28 -17.683 7.527 -9.810 1.00 33.53 C ATOM 435 O LYS A 28 -18.498 6.606 -9.747 1.00 31.24 O ATOM 436 CB LYS A 28 -18.440 9.636 -10.921 1.00 63.35 C ATOM 437 CG LYS A 28 -18.611 11.142 -10.827 1.00 73.13 C ATOM 438 CD LYS A 28 -19.057 11.736 -12.153 1.00 4.31 C ATOM 439 CE LYS A 28 -19.365 13.220 -12.023 1.00 12.01 C ATOM 440 NZ LYS A 28 -20.611 13.461 -11.244 1.00 13.20 N ATOM 0 H LYS A 28 -16.468 10.260 -9.489 1.00 62.22 H new ATOM 0 HA LYS A 28 -19.013 8.968 -8.959 1.00 71.42 H new ATOM 0 HB2 LYS A 28 -17.642 9.413 -11.629 1.00 63.35 H new ATOM 0 HB3 LYS A 28 -19.354 9.199 -11.323 1.00 63.35 H new ATOM 0 HG2 LYS A 28 -19.344 11.378 -10.056 1.00 73.13 H new ATOM 0 HG3 LYS A 28 -17.669 11.598 -10.521 1.00 73.13 H new ATOM 0 HD2 LYS A 28 -18.277 11.589 -12.900 1.00 4.31 H new ATOM 0 HD3 LYS A 28 -19.942 11.209 -12.510 1.00 4.31 H new ATOM 0 HE2 LYS A 28 -18.529 13.723 -11.537 1.00 12.01 H new ATOM 0 HE3 LYS A 28 -19.467 13.658 -13.016 1.00 12.01 H new ATOM 0 HZ1 LYS A 28 -20.879 14.463 -11.320 1.00 13.20 H new ATOM 0 HZ2 LYS A 28 -21.377 12.868 -11.622 1.00 13.20 H new ATOM 0 HZ3 LYS A 28 -20.448 13.221 -10.245 1.00 13.20 H new ATOM 454 N ARG A 29 -16.395 7.336 -10.074 1.00 22.13 N ATOM 455 CA ARG A 29 -15.852 6.004 -10.311 1.00 75.41 C ATOM 456 C ARG A 29 -15.922 5.155 -9.045 1.00 73.20 C ATOM 457 O ARG A 29 -15.888 3.926 -9.106 1.00 63.44 O ATOM 458 CB ARG A 29 -14.404 6.098 -10.795 1.00 54.14 C ATOM 459 CG ARG A 29 -14.277 6.419 -12.275 1.00 40.35 C ATOM 460 CD ARG A 29 -13.005 5.831 -12.866 1.00 2.34 C ATOM 461 NE ARG A 29 -13.010 5.869 -14.326 1.00 12.25 N ATOM 462 CZ ARG A 29 -12.210 5.127 -15.083 1.00 12.11 C ATOM 463 NH1 ARG A 29 -11.346 4.293 -14.521 1.00 44.43 N ATOM 464 NH2 ARG A 29 -12.274 5.218 -16.405 1.00 74.42 N ATOM 0 H ARG A 29 -15.707 8.087 -10.129 1.00 22.13 H new ATOM 0 HA ARG A 29 -16.455 5.526 -11.083 1.00 75.41 H new ATOM 0 HB2 ARG A 29 -13.886 6.866 -10.220 1.00 54.14 H new ATOM 0 HB3 ARG A 29 -13.900 5.153 -10.592 1.00 54.14 H new ATOM 0 HG2 ARG A 29 -15.143 6.027 -12.809 1.00 40.35 H new ATOM 0 HG3 ARG A 29 -14.279 7.500 -12.415 1.00 40.35 H new ATOM 0 HD2 ARG A 29 -12.143 6.383 -12.492 1.00 2.34 H new ATOM 0 HD3 ARG A 29 -12.893 4.800 -12.531 1.00 2.34 H new ATOM 0 HE ARG A 29 -13.664 6.500 -14.790 1.00 12.25 H new ATOM 0 HH11 ARG A 29 -11.295 4.220 -13.505 1.00 44.43 H new ATOM 0 HH12 ARG A 29 -10.733 3.724 -15.105 1.00 44.43 H new ATOM 0 HH21 ARG A 29 -12.938 5.858 -16.841 1.00 74.42 H new ATOM 0 HH22 ARG A 29 -11.659 4.648 -16.986 1.00 74.42 H new ATOM 478 N PHE A 30 -16.020 5.819 -7.898 1.00 72.02 N ATOM 479 CA PHE A 30 -16.093 5.126 -6.617 1.00 73.12 C ATOM 480 C PHE A 30 -17.452 4.455 -6.439 1.00 30.33 C ATOM 481 O PHE A 30 -17.639 3.635 -5.540 1.00 24.35 O ATOM 482 CB PHE A 30 -15.841 6.105 -5.469 1.00 24.34 C ATOM 483 CG PHE A 30 -15.154 5.479 -4.288 1.00 42.43 C ATOM 484 CD1 PHE A 30 -13.803 5.176 -4.337 1.00 21.50 C ATOM 485 CD2 PHE A 30 -15.859 5.195 -3.130 1.00 73.12 C ATOM 486 CE1 PHE A 30 -13.168 4.600 -3.252 1.00 44.45 C ATOM 487 CE2 PHE A 30 -15.229 4.620 -2.042 1.00 54.35 C ATOM 488 CZ PHE A 30 -13.882 4.321 -2.104 1.00 53.51 C ATOM 0 H PHE A 30 -16.051 6.836 -7.829 1.00 72.02 H new ATOM 0 HA PHE A 30 -15.322 4.355 -6.604 1.00 73.12 H new ATOM 0 HB2 PHE A 30 -15.235 6.934 -5.835 1.00 24.34 H new ATOM 0 HB3 PHE A 30 -16.793 6.525 -5.145 1.00 24.34 H new ATOM 0 HD1 PHE A 30 -13.239 5.392 -5.233 1.00 21.50 H new ATOM 0 HD2 PHE A 30 -16.913 5.425 -3.076 1.00 73.12 H new ATOM 0 HE1 PHE A 30 -12.114 4.369 -3.303 1.00 44.45 H new ATOM 0 HE2 PHE A 30 -15.790 4.405 -1.144 1.00 54.35 H new ATOM 0 HZ PHE A 30 -13.388 3.870 -1.256 1.00 53.51 H new ATOM 498 N PHE A 31 -18.398 4.810 -7.302 1.00 34.54 N ATOM 499 CA PHE A 31 -19.741 4.244 -7.239 1.00 61.53 C ATOM 500 C PHE A 31 -20.118 3.590 -8.566 1.00 1.51 C ATOM 501 O PHE A 31 -20.941 2.677 -8.608 1.00 73.03 O ATOM 502 CB PHE A 31 -20.759 5.329 -6.885 1.00 11.22 C ATOM 503 CG PHE A 31 -22.132 4.792 -6.597 1.00 51.53 C ATOM 504 CD1 PHE A 31 -23.075 4.687 -7.607 1.00 42.22 C ATOM 505 CD2 PHE A 31 -22.480 4.394 -5.317 1.00 32.42 C ATOM 506 CE1 PHE A 31 -24.339 4.193 -7.346 1.00 51.41 C ATOM 507 CE2 PHE A 31 -23.743 3.899 -5.050 1.00 23.42 C ATOM 508 CZ PHE A 31 -24.674 3.800 -6.065 1.00 63.54 C ATOM 0 H PHE A 31 -18.260 5.486 -8.053 1.00 34.54 H new ATOM 0 HA PHE A 31 -19.750 3.480 -6.462 1.00 61.53 H new ATOM 0 HB2 PHE A 31 -20.403 5.880 -6.014 1.00 11.22 H new ATOM 0 HB3 PHE A 31 -20.821 6.040 -7.709 1.00 11.22 H new ATOM 0 HD1 PHE A 31 -22.819 4.995 -8.610 1.00 42.22 H new ATOM 0 HD2 PHE A 31 -21.757 4.471 -4.519 1.00 32.42 H new ATOM 0 HE1 PHE A 31 -25.064 4.114 -8.143 1.00 51.41 H new ATOM 0 HE2 PHE A 31 -24.001 3.590 -4.048 1.00 23.42 H new ATOM 0 HZ PHE A 31 -25.662 3.416 -5.858 1.00 63.54 H new ATOM 518 N ALA A 32 -19.509 4.067 -9.647 1.00 72.10 N ATOM 519 CA ALA A 32 -19.779 3.529 -10.975 1.00 11.42 C ATOM 520 C ALA A 32 -18.655 2.605 -11.432 1.00 14.41 C ATOM 521 O ALA A 32 -18.904 1.560 -12.032 1.00 72.23 O ATOM 522 CB ALA A 32 -19.973 4.661 -11.973 1.00 13.31 C ATOM 0 H ALA A 32 -18.826 4.824 -9.629 1.00 72.10 H new ATOM 0 HA ALA A 32 -20.697 2.943 -10.923 1.00 11.42 H new ATOM 0 HB1 ALA A 32 -20.174 4.245 -12.960 1.00 13.31 H new ATOM 0 HB2 ALA A 32 -20.815 5.280 -11.662 1.00 13.31 H new ATOM 0 HB3 ALA A 32 -19.070 5.270 -12.013 1.00 13.31 H new ATOM 528 N ASP A 33 -17.419 2.998 -11.145 1.00 13.23 N ATOM 529 CA ASP A 33 -16.257 2.205 -11.526 1.00 61.42 C ATOM 530 C ASP A 33 -15.939 1.159 -10.462 1.00 15.15 C ATOM 531 O ASP A 33 -14.923 0.469 -10.537 1.00 60.43 O ATOM 532 CB ASP A 33 -15.044 3.110 -11.747 1.00 14.43 C ATOM 533 CG ASP A 33 -14.078 2.546 -12.770 1.00 35.02 C ATOM 534 OD1 ASP A 33 -13.056 1.957 -12.360 1.00 12.04 O ATOM 535 OD2 ASP A 33 -14.345 2.692 -13.981 1.00 12.32 O ATOM 0 H ASP A 33 -17.196 3.861 -10.650 1.00 13.23 H new ATOM 0 HA ASP A 33 -16.491 1.690 -12.458 1.00 61.42 H new ATOM 0 HB2 ASP A 33 -15.383 4.093 -12.075 1.00 14.43 H new ATOM 0 HB3 ASP A 33 -14.523 3.252 -10.800 1.00 14.43 H new ATOM 540 N LYS A 34 -16.815 1.048 -9.469 1.00 15.54 N ATOM 541 CA LYS A 34 -16.630 0.088 -8.388 1.00 31.34 C ATOM 542 C LYS A 34 -16.304 -1.296 -8.940 1.00 33.33 C ATOM 543 O LYS A 34 -17.159 -1.987 -9.495 1.00 13.32 O ATOM 544 CB LYS A 34 -17.888 0.018 -7.518 1.00 45.50 C ATOM 545 CG LYS A 34 -19.177 -0.054 -8.318 1.00 1.24 C ATOM 546 CD LYS A 34 -20.317 -0.619 -7.487 1.00 51.13 C ATOM 547 CE LYS A 34 -20.481 -2.115 -7.710 1.00 41.50 C ATOM 548 NZ LYS A 34 -21.141 -2.412 -9.011 1.00 73.50 N ATOM 0 H LYS A 34 -17.661 1.612 -9.391 1.00 15.54 H new ATOM 0 HA LYS A 34 -15.792 0.424 -7.777 1.00 31.34 H new ATOM 0 HB2 LYS A 34 -17.823 -0.856 -6.870 1.00 45.50 H new ATOM 0 HB3 LYS A 34 -17.921 0.894 -6.870 1.00 45.50 H new ATOM 0 HG2 LYS A 34 -19.443 0.942 -8.673 1.00 1.24 H new ATOM 0 HG3 LYS A 34 -19.025 -0.676 -9.200 1.00 1.24 H new ATOM 0 HD2 LYS A 34 -20.129 -0.426 -6.431 1.00 51.13 H new ATOM 0 HD3 LYS A 34 -21.245 -0.108 -7.745 1.00 51.13 H new ATOM 0 HE2 LYS A 34 -19.503 -2.596 -7.680 1.00 41.50 H new ATOM 0 HE3 LYS A 34 -21.070 -2.541 -6.898 1.00 41.50 H new ATOM 0 HZ1 LYS A 34 -21.357 -3.428 -9.067 1.00 73.50 H new ATOM 0 HZ2 LYS A 34 -22.023 -1.866 -9.086 1.00 73.50 H new ATOM 0 HZ3 LYS A 34 -20.505 -2.150 -9.791 1.00 73.50 H new ATOM 562 N PRO A 35 -15.039 -1.714 -8.784 1.00 12.21 N ATOM 563 CA PRO A 35 -14.572 -3.020 -9.259 1.00 14.25 C ATOM 564 C PRO A 35 -15.156 -4.173 -8.449 1.00 70.15 C ATOM 565 O PRO A 35 -16.194 -4.731 -8.806 1.00 11.12 O ATOM 566 CB PRO A 35 -13.056 -2.946 -9.066 1.00 44.34 C ATOM 567 CG PRO A 35 -12.860 -1.949 -7.977 1.00 11.14 C ATOM 568 CD PRO A 35 -13.967 -0.943 -8.132 1.00 31.22 C ATOM 0 HA PRO A 35 -14.876 -3.212 -10.288 1.00 14.25 H new ATOM 0 HB2 PRO A 35 -12.644 -3.917 -8.792 1.00 44.34 H new ATOM 0 HB3 PRO A 35 -12.555 -2.634 -9.983 1.00 44.34 H new ATOM 0 HG2 PRO A 35 -12.901 -2.427 -6.998 1.00 11.14 H new ATOM 0 HG3 PRO A 35 -11.884 -1.471 -8.057 1.00 11.14 H new ATOM 0 HD2 PRO A 35 -14.287 -0.545 -7.169 1.00 31.22 H new ATOM 0 HD3 PRO A 35 -13.656 -0.094 -8.740 1.00 31.22 H new ATOM 576 N ASP A 36 -14.483 -4.525 -7.360 1.00 30.24 N ATOM 577 CA ASP A 36 -14.936 -5.612 -6.499 1.00 12.42 C ATOM 578 C ASP A 36 -15.741 -5.072 -5.321 1.00 10.33 C ATOM 579 O ASP A 36 -15.743 -5.657 -4.238 1.00 61.24 O ATOM 580 CB ASP A 36 -13.741 -6.419 -5.989 1.00 75.10 C ATOM 581 CG ASP A 36 -12.740 -6.725 -7.085 1.00 22.50 C ATOM 582 OD1 ASP A 36 -12.026 -5.795 -7.514 1.00 41.40 O ATOM 583 OD2 ASP A 36 -12.669 -7.896 -7.513 1.00 60.21 O ATOM 0 H ASP A 36 -13.622 -4.074 -7.052 1.00 30.24 H new ATOM 0 HA ASP A 36 -15.580 -6.265 -7.088 1.00 12.42 H new ATOM 0 HB2 ASP A 36 -13.245 -5.864 -5.192 1.00 75.10 H new ATOM 0 HB3 ASP A 36 -14.096 -7.353 -5.554 1.00 75.10 H new ATOM 588 N GLU A 37 -16.423 -3.952 -5.540 1.00 5.53 N ATOM 589 CA GLU A 37 -17.229 -3.332 -4.495 1.00 34.43 C ATOM 590 C GLU A 37 -16.348 -2.593 -3.493 1.00 5.32 C ATOM 591 O GLU A 37 -16.549 -1.408 -3.229 1.00 44.43 O ATOM 592 CB GLU A 37 -18.066 -4.390 -3.771 1.00 43.03 C ATOM 593 CG GLU A 37 -19.375 -3.855 -3.215 1.00 64.10 C ATOM 594 CD GLU A 37 -20.304 -4.958 -2.749 1.00 35.34 C ATOM 595 OE1 GLU A 37 -19.799 -6.008 -2.299 1.00 74.52 O ATOM 596 OE2 GLU A 37 -21.536 -4.772 -2.833 1.00 72.11 O ATOM 0 H GLU A 37 -16.433 -3.456 -6.431 1.00 5.53 H new ATOM 0 HA GLU A 37 -17.896 -2.610 -4.967 1.00 34.43 H new ATOM 0 HB2 GLU A 37 -18.281 -5.206 -4.461 1.00 43.03 H new ATOM 0 HB3 GLU A 37 -17.479 -4.809 -2.954 1.00 43.03 H new ATOM 0 HG2 GLU A 37 -19.165 -3.186 -2.381 1.00 64.10 H new ATOM 0 HG3 GLU A 37 -19.876 -3.263 -3.981 1.00 64.10 H new ATOM 603 N ALA A 38 -15.370 -3.302 -2.937 1.00 54.22 N ATOM 604 CA ALA A 38 -14.457 -2.713 -1.966 1.00 22.43 C ATOM 605 C ALA A 38 -13.686 -1.546 -2.574 1.00 31.44 C ATOM 606 O ALA A 38 -13.457 -0.530 -1.917 1.00 30.11 O ATOM 607 CB ALA A 38 -13.494 -3.768 -1.441 1.00 1.04 C ATOM 0 H ALA A 38 -15.190 -4.285 -3.143 1.00 54.22 H new ATOM 0 HA ALA A 38 -15.048 -2.329 -1.134 1.00 22.43 H new ATOM 0 HB1 ALA A 38 -12.817 -3.315 -0.716 1.00 1.04 H new ATOM 0 HB2 ALA A 38 -14.057 -4.568 -0.960 1.00 1.04 H new ATOM 0 HB3 ALA A 38 -12.917 -4.178 -2.270 1.00 1.04 H new ATOM 613 N THR A 39 -13.287 -1.698 -3.833 1.00 22.54 N ATOM 614 CA THR A 39 -12.540 -0.658 -4.528 1.00 70.35 C ATOM 615 C THR A 39 -11.198 -0.400 -3.854 1.00 24.32 C ATOM 616 O THR A 39 -10.666 0.709 -3.910 1.00 43.24 O ATOM 617 CB THR A 39 -13.334 0.660 -4.587 1.00 13.25 C ATOM 618 OG1 THR A 39 -13.080 1.437 -3.411 1.00 12.31 O ATOM 619 CG2 THR A 39 -14.826 0.388 -4.708 1.00 51.43 C ATOM 0 H THR A 39 -13.469 -2.532 -4.392 1.00 22.54 H new ATOM 0 HA THR A 39 -12.370 -1.017 -5.543 1.00 70.35 H new ATOM 0 HB THR A 39 -13.009 1.215 -5.467 1.00 13.25 H new ATOM 0 HG1 THR A 39 -13.262 0.895 -2.615 1.00 12.31 H new ATOM 0 HG21 THR A 39 -15.366 1.334 -4.748 1.00 51.43 H new ATOM 0 HG22 THR A 39 -15.020 -0.179 -5.618 1.00 51.43 H new ATOM 0 HG23 THR A 39 -15.162 -0.186 -3.844 1.00 51.43 H new ATOM 627 N LEU A 40 -10.654 -1.431 -3.216 1.00 44.03 N ATOM 628 CA LEU A 40 -9.371 -1.316 -2.531 1.00 31.04 C ATOM 629 C LEU A 40 -9.466 -0.347 -1.357 1.00 13.14 C ATOM 630 O LEU A 40 -10.444 0.389 -1.224 1.00 32.23 O ATOM 631 CB LEU A 40 -8.289 -0.849 -3.506 1.00 11.12 C ATOM 632 CG LEU A 40 -6.848 -0.944 -3.005 1.00 4.32 C ATOM 633 CD1 LEU A 40 -6.556 -2.341 -2.480 1.00 43.10 C ATOM 634 CD2 LEU A 40 -5.872 -0.574 -4.113 1.00 14.42 C ATOM 0 H LEU A 40 -11.081 -2.355 -3.159 1.00 44.03 H new ATOM 0 HA LEU A 40 -9.104 -2.300 -2.146 1.00 31.04 H new ATOM 0 HB2 LEU A 40 -8.374 -1.436 -4.420 1.00 11.12 H new ATOM 0 HB3 LEU A 40 -8.492 0.188 -3.773 1.00 11.12 H new ATOM 0 HG LEU A 40 -6.722 -0.236 -2.186 1.00 4.32 H new ATOM 0 HD11 LEU A 40 -5.526 -2.389 -2.128 1.00 43.10 H new ATOM 0 HD12 LEU A 40 -7.232 -2.569 -1.656 1.00 43.10 H new ATOM 0 HD13 LEU A 40 -6.701 -3.068 -3.279 1.00 43.10 H new ATOM 0 HD21 LEU A 40 -4.851 -0.647 -3.738 1.00 14.42 H new ATOM 0 HD22 LEU A 40 -6.000 -1.256 -4.953 1.00 14.42 H new ATOM 0 HD23 LEU A 40 -6.065 0.447 -4.442 1.00 14.42 H new ATOM 646 N SER A 41 -8.443 -0.351 -0.508 1.00 41.33 N ATOM 647 CA SER A 41 -8.412 0.527 0.656 1.00 63.02 C ATOM 648 C SER A 41 -7.957 1.930 0.266 1.00 13.31 C ATOM 649 O SER A 41 -7.472 2.169 -0.840 1.00 24.51 O ATOM 650 CB SER A 41 -7.480 -0.044 1.727 1.00 72.04 C ATOM 651 OG SER A 41 -7.028 -1.339 1.371 1.00 30.22 O ATOM 0 H SER A 41 -7.625 -0.952 -0.604 1.00 41.33 H new ATOM 0 HA SER A 41 -9.423 0.590 1.060 1.00 63.02 H new ATOM 0 HB2 SER A 41 -6.625 0.619 1.861 1.00 72.04 H new ATOM 0 HB3 SER A 41 -8.002 -0.088 2.683 1.00 72.04 H new ATOM 0 HG SER A 41 -6.264 -1.263 0.762 1.00 30.22 H new ATOM 657 N PRO A 42 -8.118 2.883 1.196 1.00 14.13 N ATOM 658 CA PRO A 42 -7.731 4.279 0.975 1.00 41.44 C ATOM 659 C PRO A 42 -6.218 4.458 0.913 1.00 41.35 C ATOM 660 O PRO A 42 -5.718 5.582 0.880 1.00 10.22 O ATOM 661 CB PRO A 42 -8.306 5.005 2.194 1.00 64.12 C ATOM 662 CG PRO A 42 -8.391 3.959 3.251 1.00 11.13 C ATOM 663 CD PRO A 42 -8.691 2.671 2.536 1.00 24.43 C ATOM 0 HA PRO A 42 -8.101 4.658 0.023 1.00 41.44 H new ATOM 0 HB2 PRO A 42 -7.664 5.829 2.503 1.00 64.12 H new ATOM 0 HB3 PRO A 42 -9.286 5.429 1.977 1.00 64.12 H new ATOM 0 HG2 PRO A 42 -7.456 3.888 3.806 1.00 11.13 H new ATOM 0 HG3 PRO A 42 -9.173 4.196 3.973 1.00 11.13 H new ATOM 0 HD2 PRO A 42 -8.235 1.817 3.038 1.00 24.43 H new ATOM 0 HD3 PRO A 42 -9.763 2.478 2.489 1.00 24.43 H new ATOM 671 N GLU A 43 -5.495 3.343 0.896 1.00 62.12 N ATOM 672 CA GLU A 43 -4.038 3.378 0.838 1.00 52.51 C ATOM 673 C GLU A 43 -3.560 4.296 -0.284 1.00 15.33 C ATOM 674 O GLU A 43 -2.544 4.977 -0.152 1.00 41.20 O ATOM 675 CB GLU A 43 -3.479 1.969 0.631 1.00 13.14 C ATOM 676 CG GLU A 43 -3.247 1.614 -0.828 1.00 11.23 C ATOM 677 CD GLU A 43 -2.793 0.179 -1.014 1.00 52.50 C ATOM 678 OE1 GLU A 43 -3.615 -0.649 -1.460 1.00 1.14 O ATOM 679 OE2 GLU A 43 -1.617 -0.115 -0.714 1.00 74.23 O ATOM 0 H GLU A 43 -5.894 2.405 0.922 1.00 62.12 H new ATOM 0 HA GLU A 43 -3.672 3.770 1.787 1.00 52.51 H new ATOM 0 HB2 GLU A 43 -2.537 1.878 1.172 1.00 13.14 H new ATOM 0 HB3 GLU A 43 -4.169 1.246 1.067 1.00 13.14 H new ATOM 0 HG2 GLU A 43 -4.168 1.775 -1.388 1.00 11.23 H new ATOM 0 HG3 GLU A 43 -2.497 2.286 -1.247 1.00 11.23 H new ATOM 686 N MET A 44 -4.302 4.308 -1.387 1.00 24.02 N ATOM 687 CA MET A 44 -3.954 5.142 -2.531 1.00 54.34 C ATOM 688 C MET A 44 -4.613 6.514 -2.424 1.00 3.12 C ATOM 689 O MET A 44 -4.151 7.485 -3.025 1.00 31.43 O ATOM 690 CB MET A 44 -4.379 4.461 -3.834 1.00 23.32 C ATOM 691 CG MET A 44 -5.878 4.505 -4.082 1.00 44.05 C ATOM 692 SD MET A 44 -6.393 3.405 -5.415 1.00 14.02 S ATOM 693 CE MET A 44 -8.154 3.297 -5.103 1.00 1.44 C ATOM 0 H MET A 44 -5.147 3.750 -1.512 1.00 24.02 H new ATOM 0 HA MET A 44 -2.872 5.276 -2.535 1.00 54.34 H new ATOM 0 HB2 MET A 44 -3.867 4.940 -4.668 1.00 23.32 H new ATOM 0 HB3 MET A 44 -4.053 3.421 -3.814 1.00 23.32 H new ATOM 0 HG2 MET A 44 -6.402 4.231 -3.167 1.00 44.05 H new ATOM 0 HG3 MET A 44 -6.173 5.526 -4.324 1.00 44.05 H new ATOM 0 HE1 MET A 44 -8.616 2.649 -5.847 1.00 1.44 H new ATOM 0 HE2 MET A 44 -8.323 2.885 -4.108 1.00 1.44 H new ATOM 0 HE3 MET A 44 -8.596 4.292 -5.163 1.00 1.44 H new ATOM 703 N LYS A 45 -5.694 6.588 -1.655 1.00 61.11 N ATOM 704 CA LYS A 45 -6.416 7.841 -1.467 1.00 62.35 C ATOM 705 C LYS A 45 -5.621 8.800 -0.588 1.00 2.40 C ATOM 706 O LYS A 45 -5.840 10.011 -0.620 1.00 24.21 O ATOM 707 CB LYS A 45 -7.786 7.574 -0.841 1.00 14.52 C ATOM 708 CG LYS A 45 -8.535 8.839 -0.456 1.00 32.31 C ATOM 709 CD LYS A 45 -10.002 8.759 -0.845 1.00 63.35 C ATOM 710 CE LYS A 45 -10.725 10.067 -0.566 1.00 42.31 C ATOM 711 NZ LYS A 45 -11.791 9.904 0.461 1.00 63.22 N ATOM 0 H LYS A 45 -6.090 5.794 -1.151 1.00 61.11 H new ATOM 0 HA LYS A 45 -6.554 8.303 -2.445 1.00 62.35 H new ATOM 0 HB2 LYS A 45 -8.392 7.002 -1.544 1.00 14.52 H new ATOM 0 HB3 LYS A 45 -7.656 6.954 0.046 1.00 14.52 H new ATOM 0 HG2 LYS A 45 -8.451 9.000 0.619 1.00 32.31 H new ATOM 0 HG3 LYS A 45 -8.075 9.698 -0.944 1.00 32.31 H new ATOM 0 HD2 LYS A 45 -10.086 8.515 -1.904 1.00 63.35 H new ATOM 0 HD3 LYS A 45 -10.482 7.952 -0.292 1.00 63.35 H new ATOM 0 HE2 LYS A 45 -10.007 10.814 -0.228 1.00 42.31 H new ATOM 0 HE3 LYS A 45 -11.165 10.443 -1.490 1.00 42.31 H new ATOM 0 HZ1 LYS A 45 -12.260 10.818 0.623 1.00 63.22 H new ATOM 0 HZ2 LYS A 45 -12.490 9.210 0.128 1.00 63.22 H new ATOM 0 HZ3 LYS A 45 -11.368 9.570 1.350 1.00 63.22 H new ATOM 725 N GLU A 46 -4.697 8.251 0.195 1.00 51.42 N ATOM 726 CA GLU A 46 -3.870 9.060 1.082 1.00 44.51 C ATOM 727 C GLU A 46 -2.748 9.745 0.306 1.00 61.31 C ATOM 728 O GLU A 46 -2.318 10.845 0.655 1.00 62.33 O ATOM 729 CB GLU A 46 -3.279 8.194 2.196 1.00 61.20 C ATOM 730 CG GLU A 46 -4.302 7.745 3.225 1.00 34.33 C ATOM 731 CD GLU A 46 -3.846 6.530 4.010 1.00 13.01 C ATOM 732 OE1 GLU A 46 -4.706 5.863 4.622 1.00 35.23 O ATOM 733 OE2 GLU A 46 -2.630 6.247 4.012 1.00 32.24 O ATOM 0 H GLU A 46 -4.503 7.250 0.233 1.00 51.42 H new ATOM 0 HA GLU A 46 -4.503 9.828 1.526 1.00 44.51 H new ATOM 0 HB2 GLU A 46 -2.812 7.315 1.752 1.00 61.20 H new ATOM 0 HB3 GLU A 46 -2.491 8.753 2.700 1.00 61.20 H new ATOM 0 HG2 GLU A 46 -4.501 8.565 3.915 1.00 34.33 H new ATOM 0 HG3 GLU A 46 -5.241 7.516 2.722 1.00 34.33 H new ATOM 740 N HIS A 47 -2.278 9.085 -0.748 1.00 42.32 N ATOM 741 CA HIS A 47 -1.206 9.629 -1.575 1.00 1.25 C ATOM 742 C HIS A 47 -1.764 10.565 -2.642 1.00 15.30 C ATOM 743 O HIS A 47 -1.107 11.525 -3.046 1.00 32.03 O ATOM 744 CB HIS A 47 -0.417 8.497 -2.234 1.00 54.41 C ATOM 745 CG HIS A 47 0.986 8.876 -2.595 1.00 10.21 C ATOM 746 ND1 HIS A 47 2.073 8.582 -1.799 1.00 41.13 N ATOM 747 CD2 HIS A 47 1.477 9.528 -3.675 1.00 22.13 C ATOM 748 CE1 HIS A 47 3.172 9.038 -2.373 1.00 41.02 C ATOM 749 NE2 HIS A 47 2.838 9.616 -3.513 1.00 20.10 N ATOM 0 H HIS A 47 -2.622 8.173 -1.050 1.00 42.32 H new ATOM 0 HA HIS A 47 -0.538 10.200 -0.930 1.00 1.25 H new ATOM 0 HB2 HIS A 47 -0.391 7.642 -1.558 1.00 54.41 H new ATOM 0 HB3 HIS A 47 -0.941 8.176 -3.134 1.00 54.41 H new ATOM 0 HD2 HIS A 47 0.905 9.908 -4.509 1.00 22.13 H new ATOM 0 HE1 HIS A 47 4.173 8.953 -1.977 1.00 41.02 H new ATOM 0 HE2 HIS A 47 3.486 10.056 -4.167 1.00 20.10 H new ATOM 757 N TYR A 48 -2.980 10.279 -3.095 1.00 41.32 N ATOM 758 CA TYR A 48 -3.625 11.094 -4.118 1.00 73.42 C ATOM 759 C TYR A 48 -3.621 12.567 -3.724 1.00 50.52 C ATOM 760 O TYR A 48 -3.720 13.449 -4.577 1.00 70.20 O ATOM 761 CB TYR A 48 -5.062 10.619 -4.346 1.00 44.32 C ATOM 762 CG TYR A 48 -5.180 9.524 -5.381 1.00 73.34 C ATOM 763 CD1 TYR A 48 -6.365 9.326 -6.079 1.00 55.35 C ATOM 764 CD2 TYR A 48 -4.108 8.685 -5.661 1.00 12.51 C ATOM 765 CE1 TYR A 48 -6.479 8.326 -7.026 1.00 10.23 C ATOM 766 CE2 TYR A 48 -4.212 7.684 -6.607 1.00 32.15 C ATOM 767 CZ TYR A 48 -5.400 7.508 -7.286 1.00 45.00 C ATOM 768 OH TYR A 48 -5.508 6.510 -8.228 1.00 4.43 O ATOM 0 H TYR A 48 -3.538 9.490 -2.770 1.00 41.32 H new ATOM 0 HA TYR A 48 -3.061 10.983 -5.044 1.00 73.42 H new ATOM 0 HB2 TYR A 48 -5.471 10.261 -3.402 1.00 44.32 H new ATOM 0 HB3 TYR A 48 -5.672 11.468 -4.656 1.00 44.32 H new ATOM 0 HD1 TYR A 48 -7.212 9.965 -5.878 1.00 55.35 H new ATOM 0 HD2 TYR A 48 -3.177 8.818 -5.130 1.00 12.51 H new ATOM 0 HE1 TYR A 48 -7.408 8.186 -7.559 1.00 10.23 H new ATOM 0 HE2 TYR A 48 -3.368 7.043 -6.814 1.00 32.15 H new ATOM 0 HH TYR A 48 -4.658 6.026 -8.291 1.00 4.43 H new ATOM 778 N GLU A 49 -3.505 12.826 -2.425 1.00 61.23 N ATOM 779 CA GLU A 49 -3.488 14.193 -1.917 1.00 63.45 C ATOM 780 C GLU A 49 -2.370 15.001 -2.569 1.00 45.11 C ATOM 781 O GLU A 49 -2.416 16.231 -2.605 1.00 32.13 O ATOM 782 CB GLU A 49 -3.313 14.193 -0.397 1.00 53.33 C ATOM 783 CG GLU A 49 -1.979 13.629 0.063 1.00 54.45 C ATOM 784 CD GLU A 49 -0.877 14.671 0.071 1.00 15.11 C ATOM 785 OE1 GLU A 49 -1.154 15.823 0.466 1.00 52.21 O ATOM 786 OE2 GLU A 49 0.261 14.335 -0.317 1.00 33.23 O ATOM 0 H GLU A 49 -3.421 12.108 -1.706 1.00 61.23 H new ATOM 0 HA GLU A 49 -4.442 14.658 -2.166 1.00 63.45 H new ATOM 0 HB2 GLU A 49 -3.413 15.214 -0.028 1.00 53.33 H new ATOM 0 HB3 GLU A 49 -4.118 13.612 0.053 1.00 53.33 H new ATOM 0 HG2 GLU A 49 -2.090 13.215 1.065 1.00 54.45 H new ATOM 0 HG3 GLU A 49 -1.691 12.806 -0.592 1.00 54.45 H new ATOM 793 N LYS A 50 -1.364 14.301 -3.084 1.00 11.24 N ATOM 794 CA LYS A 50 -0.233 14.951 -3.735 1.00 52.41 C ATOM 795 C LYS A 50 -0.529 15.209 -5.209 1.00 61.11 C ATOM 796 O LYS A 50 0.068 16.091 -5.827 1.00 70.44 O ATOM 797 CB LYS A 50 1.024 14.090 -3.599 1.00 64.12 C ATOM 798 CG LYS A 50 2.304 14.898 -3.472 1.00 23.31 C ATOM 799 CD LYS A 50 3.309 14.211 -2.562 1.00 12.33 C ATOM 800 CE LYS A 50 3.796 15.145 -1.465 1.00 2.43 C ATOM 801 NZ LYS A 50 5.023 15.885 -1.871 1.00 11.42 N ATOM 0 H LYS A 50 -1.309 13.283 -3.063 1.00 11.24 H new ATOM 0 HA LYS A 50 -0.064 15.909 -3.243 1.00 52.41 H new ATOM 0 HB2 LYS A 50 0.921 13.448 -2.724 1.00 64.12 H new ATOM 0 HB3 LYS A 50 1.102 13.436 -4.467 1.00 64.12 H new ATOM 0 HG2 LYS A 50 2.744 15.042 -4.459 1.00 23.31 H new ATOM 0 HG3 LYS A 50 2.073 15.888 -3.079 1.00 23.31 H new ATOM 0 HD2 LYS A 50 2.852 13.329 -2.114 1.00 12.33 H new ATOM 0 HD3 LYS A 50 4.159 13.866 -3.151 1.00 12.33 H new ATOM 0 HE2 LYS A 50 3.008 15.856 -1.217 1.00 2.43 H new ATOM 0 HE3 LYS A 50 4.001 14.569 -0.562 1.00 2.43 H new ATOM 0 HZ1 LYS A 50 5.323 16.511 -1.096 1.00 11.42 H new ATOM 0 HZ2 LYS A 50 5.783 15.207 -2.083 1.00 11.42 H new ATOM 0 HZ3 LYS A 50 4.821 16.454 -2.717 1.00 11.42 H new ATOM 815 N PHE A 51 -1.454 14.435 -5.766 1.00 55.12 N ATOM 816 CA PHE A 51 -1.830 14.580 -7.168 1.00 3.11 C ATOM 817 C PHE A 51 -2.876 15.678 -7.340 1.00 62.41 C ATOM 818 O PHE A 51 -2.749 16.539 -8.210 1.00 23.14 O ATOM 819 CB PHE A 51 -2.369 13.256 -7.713 1.00 43.02 C ATOM 820 CG PHE A 51 -1.930 12.964 -9.120 1.00 11.02 C ATOM 821 CD1 PHE A 51 -0.877 12.098 -9.365 1.00 45.44 C ATOM 822 CD2 PHE A 51 -2.571 13.556 -10.196 1.00 71.33 C ATOM 823 CE1 PHE A 51 -0.471 11.827 -10.659 1.00 4.24 C ATOM 824 CE2 PHE A 51 -2.170 13.288 -11.491 1.00 41.05 C ATOM 825 CZ PHE A 51 -1.118 12.424 -11.723 1.00 24.21 C ATOM 0 H PHE A 51 -1.957 13.701 -5.268 1.00 55.12 H new ATOM 0 HA PHE A 51 -0.939 14.860 -7.730 1.00 3.11 H new ATOM 0 HB2 PHE A 51 -2.042 12.445 -7.063 1.00 43.02 H new ATOM 0 HB3 PHE A 51 -3.458 13.274 -7.677 1.00 43.02 H new ATOM 0 HD1 PHE A 51 -0.367 11.629 -8.536 1.00 45.44 H new ATOM 0 HD2 PHE A 51 -3.393 14.234 -10.021 1.00 71.33 H new ATOM 0 HE1 PHE A 51 0.351 11.149 -10.837 1.00 4.24 H new ATOM 0 HE2 PHE A 51 -2.679 13.754 -12.322 1.00 41.05 H new ATOM 0 HZ PHE A 51 -0.802 12.216 -12.734 1.00 24.21 H new ATOM 835 N GLU A 52 -3.909 15.638 -6.505 1.00 74.00 N ATOM 836 CA GLU A 52 -4.978 16.628 -6.566 1.00 52.10 C ATOM 837 C GLU A 52 -4.410 18.044 -6.551 1.00 4.12 C ATOM 838 O GLU A 52 -4.842 18.908 -7.315 1.00 23.52 O ATOM 839 CB GLU A 52 -5.944 16.442 -5.394 1.00 23.24 C ATOM 840 CG GLU A 52 -5.251 16.119 -4.080 1.00 72.33 C ATOM 841 CD GLU A 52 -5.768 16.957 -2.927 1.00 23.41 C ATOM 842 OE1 GLU A 52 -6.878 16.666 -2.434 1.00 50.42 O ATOM 843 OE2 GLU A 52 -5.063 17.902 -2.517 1.00 45.23 O ATOM 0 H GLU A 52 -4.029 14.932 -5.779 1.00 74.00 H new ATOM 0 HA GLU A 52 -5.520 16.482 -7.500 1.00 52.10 H new ATOM 0 HB2 GLU A 52 -6.532 17.351 -5.271 1.00 23.24 H new ATOM 0 HB3 GLU A 52 -6.643 15.640 -5.633 1.00 23.24 H new ATOM 0 HG2 GLU A 52 -5.392 15.063 -3.849 1.00 72.33 H new ATOM 0 HG3 GLU A 52 -4.179 16.281 -4.190 1.00 72.33 H new ATOM 850 N LYS A 53 -3.438 18.276 -5.675 1.00 22.43 N ATOM 851 CA LYS A 53 -2.808 19.585 -5.558 1.00 41.54 C ATOM 852 C LYS A 53 -2.295 20.065 -6.913 1.00 34.13 C ATOM 853 O LYS A 53 -2.335 21.257 -7.215 1.00 12.20 O ATOM 854 CB LYS A 53 -1.654 19.532 -4.554 1.00 52.13 C ATOM 855 CG LYS A 53 -2.068 19.877 -3.134 1.00 45.01 C ATOM 856 CD LYS A 53 -1.033 19.412 -2.124 1.00 24.35 C ATOM 857 CE LYS A 53 -1.274 20.029 -0.754 1.00 65.14 C ATOM 858 NZ LYS A 53 -2.570 19.590 -0.169 1.00 14.13 N ATOM 0 H LYS A 53 -3.069 17.573 -5.035 1.00 22.43 H new ATOM 0 HA LYS A 53 -3.559 20.291 -5.202 1.00 41.54 H new ATOM 0 HB2 LYS A 53 -1.220 18.532 -4.564 1.00 52.13 H new ATOM 0 HB3 LYS A 53 -0.873 20.222 -4.874 1.00 52.13 H new ATOM 0 HG2 LYS A 53 -2.206 20.955 -3.046 1.00 45.01 H new ATOM 0 HG3 LYS A 53 -3.029 19.414 -2.911 1.00 45.01 H new ATOM 0 HD2 LYS A 53 -1.063 18.325 -2.045 1.00 24.35 H new ATOM 0 HD3 LYS A 53 -0.036 19.679 -2.474 1.00 24.35 H new ATOM 0 HE2 LYS A 53 -0.461 19.753 -0.083 1.00 65.14 H new ATOM 0 HE3 LYS A 53 -1.263 21.116 -0.838 1.00 65.14 H new ATOM 0 HZ1 LYS A 53 -2.689 20.018 0.771 1.00 14.13 H new ATOM 0 HZ2 LYS A 53 -3.350 19.890 -0.788 1.00 14.13 H new ATOM 0 HZ3 LYS A 53 -2.578 18.554 -0.081 1.00 14.13 H new ATOM 872 N MET A 54 -1.816 19.128 -7.724 1.00 41.13 N ATOM 873 CA MET A 54 -1.298 19.456 -9.048 1.00 32.14 C ATOM 874 C MET A 54 -2.424 19.899 -9.977 1.00 44.40 C ATOM 875 O MET A 54 -2.206 20.688 -10.897 1.00 53.23 O ATOM 876 CB MET A 54 -0.571 18.251 -9.647 1.00 61.11 C ATOM 877 CG MET A 54 0.889 18.522 -9.971 1.00 63.11 C ATOM 878 SD MET A 54 2.011 17.405 -9.108 1.00 61.31 S ATOM 879 CE MET A 54 2.770 18.526 -7.935 1.00 72.04 C ATOM 0 H MET A 54 -1.775 18.136 -7.489 1.00 41.13 H new ATOM 0 HA MET A 54 -0.593 20.280 -8.942 1.00 32.14 H new ATOM 0 HB2 MET A 54 -0.631 17.417 -8.948 1.00 61.11 H new ATOM 0 HB3 MET A 54 -1.085 17.942 -10.557 1.00 61.11 H new ATOM 0 HG2 MET A 54 1.042 18.426 -11.046 1.00 63.11 H new ATOM 0 HG3 MET A 54 1.131 19.551 -9.705 1.00 63.11 H new ATOM 0 HE1 MET A 54 3.491 17.981 -7.326 1.00 72.04 H new ATOM 0 HE2 MET A 54 3.280 19.325 -8.473 1.00 72.04 H new ATOM 0 HE3 MET A 54 2.002 18.954 -7.291 1.00 72.04 H new ATOM 889 N ILE A 55 -3.625 19.388 -9.731 1.00 23.54 N ATOM 890 CA ILE A 55 -4.783 19.732 -10.545 1.00 52.13 C ATOM 891 C ILE A 55 -5.095 21.222 -10.455 1.00 33.01 C ATOM 892 O ILE A 55 -5.014 21.944 -11.448 1.00 62.12 O ATOM 893 CB ILE A 55 -6.028 18.932 -10.121 1.00 34.55 C ATOM 894 CG1 ILE A 55 -5.694 17.442 -10.020 1.00 21.13 C ATOM 895 CG2 ILE A 55 -7.166 19.159 -11.105 1.00 43.12 C ATOM 896 CD1 ILE A 55 -5.128 16.862 -11.297 1.00 32.30 C ATOM 0 H ILE A 55 -3.821 18.734 -8.974 1.00 23.54 H new ATOM 0 HA ILE A 55 -4.531 19.477 -11.574 1.00 52.13 H new ATOM 0 HB ILE A 55 -6.348 19.281 -9.139 1.00 34.55 H new ATOM 0 HG12 ILE A 55 -4.976 17.293 -9.213 1.00 21.13 H new ATOM 0 HG13 ILE A 55 -6.596 16.893 -9.750 1.00 21.13 H new ATOM 0 HG21 ILE A 55 -8.039 18.586 -10.791 1.00 43.12 H new ATOM 0 HG22 ILE A 55 -7.418 20.219 -11.131 1.00 43.12 H new ATOM 0 HG23 ILE A 55 -6.858 18.834 -12.099 1.00 43.12 H new ATOM 0 HD11 ILE A 55 -4.915 15.803 -11.152 1.00 32.30 H new ATOM 0 HD12 ILE A 55 -5.853 16.979 -12.103 1.00 32.30 H new ATOM 0 HD13 ILE A 55 -4.208 17.385 -11.558 1.00 32.30 H new ATOM 908 N GLN A 56 -5.451 21.675 -9.257 1.00 70.21 N ATOM 909 CA GLN A 56 -5.774 23.080 -9.037 1.00 71.40 C ATOM 910 C GLN A 56 -4.561 23.965 -9.302 1.00 50.10 C ATOM 911 O GLN A 56 -4.691 25.178 -9.466 1.00 24.31 O ATOM 912 CB GLN A 56 -6.273 23.292 -7.607 1.00 2.04 C ATOM 913 CG GLN A 56 -7.714 22.859 -7.394 1.00 54.13 C ATOM 914 CD GLN A 56 -8.123 22.887 -5.935 1.00 32.12 C ATOM 915 OE1 GLN A 56 -7.745 22.012 -5.156 1.00 34.55 O ATOM 916 NE2 GLN A 56 -8.900 23.896 -5.556 1.00 65.43 N ATOM 0 H GLN A 56 -5.523 21.090 -8.425 1.00 70.21 H new ATOM 0 HA GLN A 56 -6.564 23.359 -9.735 1.00 71.40 H new ATOM 0 HB2 GLN A 56 -5.631 22.739 -6.922 1.00 2.04 H new ATOM 0 HB3 GLN A 56 -6.178 24.347 -7.351 1.00 2.04 H new ATOM 0 HG2 GLN A 56 -8.374 23.513 -7.965 1.00 54.13 H new ATOM 0 HG3 GLN A 56 -7.848 21.851 -7.785 1.00 54.13 H new ATOM 0 HE21 GLN A 56 -9.190 24.600 -6.235 1.00 65.43 H new ATOM 0 HE22 GLN A 56 -9.207 23.967 -4.586 1.00 65.43 H new ATOM 925 N GLU A 57 -3.383 23.350 -9.342 1.00 40.31 N ATOM 926 CA GLU A 57 -2.147 24.084 -9.586 1.00 41.40 C ATOM 927 C GLU A 57 -2.109 24.627 -11.012 1.00 1.44 C ATOM 928 O GLU A 57 -1.726 25.775 -11.241 1.00 10.23 O ATOM 929 CB GLU A 57 -0.935 23.183 -9.339 1.00 53.15 C ATOM 930 CG GLU A 57 0.394 23.916 -9.414 1.00 33.03 C ATOM 931 CD GLU A 57 1.488 23.220 -8.628 1.00 44.04 C ATOM 932 OE1 GLU A 57 1.735 23.622 -7.472 1.00 32.43 O ATOM 933 OE2 GLU A 57 2.099 22.275 -9.170 1.00 34.20 O ATOM 0 H GLU A 57 -3.259 22.346 -9.209 1.00 40.31 H new ATOM 0 HA GLU A 57 -2.112 24.926 -8.894 1.00 41.40 H new ATOM 0 HB2 GLU A 57 -1.031 22.721 -8.356 1.00 53.15 H new ATOM 0 HB3 GLU A 57 -0.937 22.376 -10.072 1.00 53.15 H new ATOM 0 HG2 GLU A 57 0.699 24.002 -10.457 1.00 33.03 H new ATOM 0 HG3 GLU A 57 0.268 24.930 -9.034 1.00 33.03 H new ATOM 940 N HIS A 58 -2.508 23.794 -11.967 1.00 72.20 N ATOM 941 CA HIS A 58 -2.520 24.189 -13.371 1.00 11.51 C ATOM 942 C HIS A 58 -2.795 22.989 -14.271 1.00 61.23 C ATOM 943 O HIS A 58 -3.416 23.119 -15.327 1.00 1.42 O ATOM 944 CB HIS A 58 -1.187 24.833 -13.752 1.00 40.45 C ATOM 945 CG HIS A 58 -1.305 26.279 -14.126 1.00 12.00 C ATOM 946 ND1 HIS A 58 -2.166 27.235 -13.704 1.00 75.30 N flip ATOM 947 CD2 HIS A 58 -0.473 26.891 -15.040 1.00 70.24 C flip ATOM 948 CE1 HIS A 58 -1.841 28.395 -14.364 1.00 54.52 C flip ATOM 949 NE2 HIS A 58 -0.816 28.160 -15.163 1.00 32.24 N flip ATOM 0 H HIS A 58 -2.827 22.841 -11.795 1.00 72.20 H new ATOM 0 HA HIS A 58 -3.320 24.916 -13.512 1.00 11.51 H new ATOM 0 HB2 HIS A 58 -0.495 24.738 -12.915 1.00 40.45 H new ATOM 0 HB3 HIS A 58 -0.754 24.284 -14.588 1.00 40.45 H new ATOM 0 HD2 HIS A 58 0.333 26.408 -15.572 1.00 70.24 H new ATOM 0 HE1 HIS A 58 -2.342 29.345 -14.248 1.00 54.52 H new ATOM 0 HE2 HIS A 58 -0.366 28.843 -15.772 1.00 32.24 H new ATOM 957 N THR A 59 -2.327 21.818 -13.848 1.00 55.31 N ATOM 958 CA THR A 59 -2.521 20.595 -14.616 1.00 42.25 C ATOM 959 C THR A 59 -3.999 20.349 -14.896 1.00 10.12 C ATOM 960 O THR A 59 -4.352 19.616 -15.819 1.00 74.23 O ATOM 961 CB THR A 59 -1.938 19.373 -13.882 1.00 73.45 C ATOM 962 OG1 THR A 59 -2.822 18.965 -12.832 1.00 3.33 O ATOM 963 CG2 THR A 59 -0.568 19.691 -13.305 1.00 25.14 C ATOM 0 H THR A 59 -1.811 21.692 -12.977 1.00 55.31 H new ATOM 0 HA THR A 59 -1.993 20.728 -15.561 1.00 42.25 H new ATOM 0 HB THR A 59 -1.831 18.561 -14.602 1.00 73.45 H new ATOM 0 HG1 THR A 59 -2.377 18.295 -12.272 1.00 3.33 H new ATOM 0 HG21 THR A 59 -0.177 18.813 -12.791 1.00 25.14 H new ATOM 0 HG22 THR A 59 0.110 19.972 -14.111 1.00 25.14 H new ATOM 0 HG23 THR A 59 -0.654 20.516 -12.598 1.00 25.14 H new ATOM 971 N ASP A 60 -4.859 20.967 -14.093 1.00 64.31 N ATOM 972 CA ASP A 60 -6.300 20.816 -14.255 1.00 50.03 C ATOM 973 C ASP A 60 -6.710 21.039 -15.708 1.00 24.42 C ATOM 974 O ASP A 60 -7.493 20.271 -16.268 1.00 44.22 O ATOM 975 CB ASP A 60 -7.042 21.797 -13.347 1.00 14.41 C ATOM 976 CG ASP A 60 -8.478 22.018 -13.783 1.00 25.30 C ATOM 977 OD1 ASP A 60 -8.899 23.190 -13.868 1.00 1.52 O ATOM 978 OD2 ASP A 60 -9.179 21.017 -14.040 1.00 51.53 O ATOM 0 H ASP A 60 -4.583 21.577 -13.324 1.00 64.31 H new ATOM 0 HA ASP A 60 -6.568 19.798 -13.973 1.00 50.03 H new ATOM 0 HB2 ASP A 60 -7.030 21.421 -12.324 1.00 14.41 H new ATOM 0 HB3 ASP A 60 -6.516 22.752 -13.342 1.00 14.41 H new ATOM 983 N LYS A 61 -6.176 22.095 -16.312 1.00 60.44 N ATOM 984 CA LYS A 61 -6.485 22.420 -17.700 1.00 21.41 C ATOM 985 C LYS A 61 -5.746 21.487 -18.655 1.00 1.25 C ATOM 986 O LYS A 61 -6.309 21.026 -19.647 1.00 70.25 O ATOM 987 CB LYS A 61 -6.113 23.873 -18.000 1.00 4.43 C ATOM 988 CG LYS A 61 -6.186 24.228 -19.475 1.00 2.22 C ATOM 989 CD LYS A 61 -6.232 25.732 -19.685 1.00 15.32 C ATOM 990 CE LYS A 61 -7.555 26.169 -20.297 1.00 65.24 C ATOM 991 NZ LYS A 61 -7.448 27.500 -20.956 1.00 62.14 N ATOM 0 H LYS A 61 -5.527 22.741 -15.862 1.00 60.44 H new ATOM 0 HA LYS A 61 -7.557 22.288 -17.848 1.00 21.41 H new ATOM 0 HB2 LYS A 61 -6.779 24.532 -17.443 1.00 4.43 H new ATOM 0 HB3 LYS A 61 -5.102 24.062 -17.639 1.00 4.43 H new ATOM 0 HG2 LYS A 61 -5.321 23.814 -19.993 1.00 2.22 H new ATOM 0 HG3 LYS A 61 -7.071 23.771 -19.917 1.00 2.22 H new ATOM 0 HD2 LYS A 61 -6.086 26.238 -18.731 1.00 15.32 H new ATOM 0 HD3 LYS A 61 -5.411 26.035 -20.335 1.00 15.32 H new ATOM 0 HE2 LYS A 61 -7.880 25.427 -21.027 1.00 65.24 H new ATOM 0 HE3 LYS A 61 -8.319 26.208 -19.521 1.00 65.24 H new ATOM 0 HZ1 LYS A 61 -8.370 27.762 -21.360 1.00 62.14 H new ATOM 0 HZ2 LYS A 61 -7.162 28.213 -20.255 1.00 62.14 H new ATOM 0 HZ3 LYS A 61 -6.737 27.456 -21.714 1.00 62.14 H new ATOM 1005 N PHE A 62 -4.483 21.213 -18.347 1.00 24.21 N ATOM 1006 CA PHE A 62 -3.667 20.335 -19.178 1.00 21.35 C ATOM 1007 C PHE A 62 -4.313 18.959 -19.313 1.00 12.11 C ATOM 1008 O PHE A 62 -4.366 18.391 -20.403 1.00 22.02 O ATOM 1009 CB PHE A 62 -2.263 20.195 -18.584 1.00 55.02 C ATOM 1010 CG PHE A 62 -1.199 19.943 -19.614 1.00 55.50 C ATOM 1011 CD1 PHE A 62 -1.057 20.788 -20.703 1.00 53.11 C ATOM 1012 CD2 PHE A 62 -0.342 18.862 -19.493 1.00 62.13 C ATOM 1013 CE1 PHE A 62 -0.079 20.560 -21.653 1.00 30.45 C ATOM 1014 CE2 PHE A 62 0.639 18.629 -20.439 1.00 75.21 C ATOM 1015 CZ PHE A 62 0.769 19.478 -21.521 1.00 23.13 C ATOM 0 H PHE A 62 -4.002 21.586 -17.528 1.00 24.21 H new ATOM 0 HA PHE A 62 -3.592 20.781 -20.170 1.00 21.35 H new ATOM 0 HB2 PHE A 62 -2.017 21.104 -18.034 1.00 55.02 H new ATOM 0 HB3 PHE A 62 -2.262 19.377 -17.864 1.00 55.02 H new ATOM 0 HD1 PHE A 62 -1.718 21.635 -20.811 1.00 53.11 H new ATOM 0 HD2 PHE A 62 -0.441 18.194 -18.650 1.00 62.13 H new ATOM 0 HE1 PHE A 62 0.022 21.227 -22.497 1.00 30.45 H new ATOM 0 HE2 PHE A 62 1.303 17.784 -20.332 1.00 75.21 H new ATOM 0 HZ PHE A 62 1.533 19.296 -22.263 1.00 23.13 H new ATOM 1025 N ASN A 63 -4.803 18.430 -18.197 1.00 35.23 N ATOM 1026 CA ASN A 63 -5.446 17.120 -18.189 1.00 45.45 C ATOM 1027 C ASN A 63 -6.564 17.057 -19.226 1.00 5.03 C ATOM 1028 O ASN A 63 -6.942 15.978 -19.683 1.00 4.04 O ATOM 1029 CB ASN A 63 -6.005 16.811 -16.799 1.00 52.35 C ATOM 1030 CG ASN A 63 -6.756 15.494 -16.758 1.00 52.53 C ATOM 1031 OD1 ASN A 63 -7.818 15.392 -16.144 1.00 31.31 O ATOM 1032 ND2 ASN A 63 -6.206 14.479 -17.414 1.00 12.10 N ATOM 0 H ASN A 63 -4.767 18.888 -17.286 1.00 35.23 H new ATOM 0 HA ASN A 63 -4.695 16.372 -18.445 1.00 45.45 H new ATOM 0 HB2 ASN A 63 -5.187 16.782 -16.079 1.00 52.35 H new ATOM 0 HB3 ASN A 63 -6.672 17.616 -16.491 1.00 52.35 H new ATOM 0 HD21 ASN A 63 -6.666 13.568 -17.423 1.00 12.10 H new ATOM 0 HD22 ASN A 63 -5.324 14.610 -17.909 1.00 12.10 H new ATOM 1039 N LYS A 64 -7.089 18.221 -19.593 1.00 63.12 N ATOM 1040 CA LYS A 64 -8.162 18.300 -20.577 1.00 31.12 C ATOM 1041 C LYS A 64 -7.605 18.246 -21.996 1.00 20.13 C ATOM 1042 O LYS A 64 -8.254 17.738 -22.910 1.00 73.30 O ATOM 1043 CB LYS A 64 -8.966 19.587 -20.382 1.00 54.30 C ATOM 1044 CG LYS A 64 -10.458 19.353 -20.217 1.00 51.54 C ATOM 1045 CD LYS A 64 -10.937 19.759 -18.834 1.00 2.44 C ATOM 1046 CE LYS A 64 -10.894 18.589 -17.863 1.00 64.02 C ATOM 1047 NZ LYS A 64 -11.744 18.830 -16.665 1.00 55.11 N ATOM 0 H LYS A 64 -6.789 19.123 -19.224 1.00 63.12 H new ATOM 0 HA LYS A 64 -8.819 17.442 -20.431 1.00 31.12 H new ATOM 0 HB2 LYS A 64 -8.590 20.111 -19.503 1.00 54.30 H new ATOM 0 HB3 LYS A 64 -8.802 20.241 -21.238 1.00 54.30 H new ATOM 0 HG2 LYS A 64 -11.002 19.920 -20.972 1.00 51.54 H new ATOM 0 HG3 LYS A 64 -10.683 18.300 -20.386 1.00 51.54 H new ATOM 0 HD2 LYS A 64 -10.315 20.570 -18.456 1.00 2.44 H new ATOM 0 HD3 LYS A 64 -11.955 20.142 -18.899 1.00 2.44 H new ATOM 0 HE2 LYS A 64 -11.229 17.684 -18.370 1.00 64.02 H new ATOM 0 HE3 LYS A 64 -9.865 18.416 -17.549 1.00 64.02 H new ATOM 0 HZ1 LYS A 64 -11.852 17.944 -16.132 1.00 55.11 H new ATOM 0 HZ2 LYS A 64 -11.295 19.546 -16.059 1.00 55.11 H new ATOM 0 HZ3 LYS A 64 -12.680 19.169 -16.966 1.00 55.11 H new ATOM 1061 N LYS A 65 -6.398 18.772 -22.173 1.00 24.32 N ATOM 1062 CA LYS A 65 -5.751 18.781 -23.480 1.00 1.35 C ATOM 1063 C LYS A 65 -5.025 17.465 -23.737 1.00 21.31 C ATOM 1064 O LYS A 65 -5.216 16.832 -24.775 1.00 54.52 O ATOM 1065 CB LYS A 65 -4.764 19.947 -23.574 1.00 50.15 C ATOM 1066 CG LYS A 65 -5.158 21.148 -22.732 1.00 30.34 C ATOM 1067 CD LYS A 65 -6.521 21.687 -23.132 1.00 30.10 C ATOM 1068 CE LYS A 65 -6.500 22.267 -24.538 1.00 30.21 C ATOM 1069 NZ LYS A 65 -7.849 22.728 -24.968 1.00 72.40 N ATOM 0 H LYS A 65 -5.848 19.198 -21.427 1.00 24.32 H new ATOM 0 HA LYS A 65 -6.523 18.903 -24.239 1.00 1.35 H new ATOM 0 HB2 LYS A 65 -3.778 19.603 -23.262 1.00 50.15 H new ATOM 0 HB3 LYS A 65 -4.679 20.257 -24.616 1.00 50.15 H new ATOM 0 HG2 LYS A 65 -5.172 20.866 -21.679 1.00 30.34 H new ATOM 0 HG3 LYS A 65 -4.409 21.932 -22.842 1.00 30.34 H new ATOM 0 HD2 LYS A 65 -7.260 20.887 -23.078 1.00 30.10 H new ATOM 0 HD3 LYS A 65 -6.831 22.456 -22.425 1.00 30.10 H new ATOM 0 HE2 LYS A 65 -5.802 23.103 -24.576 1.00 30.21 H new ATOM 0 HE3 LYS A 65 -6.134 21.514 -25.236 1.00 30.21 H new ATOM 0 HZ1 LYS A 65 -7.792 23.116 -25.931 1.00 72.40 H new ATOM 0 HZ2 LYS A 65 -8.510 21.925 -24.957 1.00 72.40 H new ATOM 0 HZ3 LYS A 65 -8.188 23.465 -24.317 1.00 72.40 H new ATOM 1083 N MET A 66 -4.193 17.057 -22.784 1.00 45.14 N ATOM 1084 CA MET A 66 -3.440 15.814 -22.908 1.00 74.20 C ATOM 1085 C MET A 66 -4.379 14.612 -22.951 1.00 53.40 C ATOM 1086 O MET A 66 -3.974 13.509 -23.316 1.00 23.21 O ATOM 1087 CB MET A 66 -2.460 15.668 -21.743 1.00 3.11 C ATOM 1088 CG MET A 66 -1.173 16.455 -21.930 1.00 25.31 C ATOM 1089 SD MET A 66 -0.146 15.800 -23.260 1.00 2.41 S ATOM 1090 CE MET A 66 -0.320 17.092 -24.489 1.00 33.32 C ATOM 0 H MET A 66 -4.023 17.569 -21.918 1.00 45.14 H new ATOM 0 HA MET A 66 -2.880 15.849 -23.842 1.00 74.20 H new ATOM 0 HB2 MET A 66 -2.947 15.997 -20.825 1.00 3.11 H new ATOM 0 HB3 MET A 66 -2.216 14.614 -21.614 1.00 3.11 H new ATOM 0 HG2 MET A 66 -1.416 17.496 -22.143 1.00 25.31 H new ATOM 0 HG3 MET A 66 -0.606 16.444 -20.999 1.00 25.31 H new ATOM 0 HE1 MET A 66 -0.091 16.689 -25.476 1.00 33.32 H new ATOM 0 HE2 MET A 66 -1.343 17.468 -24.479 1.00 33.32 H new ATOM 0 HE3 MET A 66 0.368 17.906 -24.261 1.00 33.32 H new ATOM 1100 N ARG A 67 -5.635 14.834 -22.576 1.00 42.50 N ATOM 1101 CA ARG A 67 -6.630 13.769 -22.571 1.00 13.35 C ATOM 1102 C ARG A 67 -6.664 13.050 -23.916 1.00 31.13 C ATOM 1103 O ARG A 67 -7.015 11.873 -23.992 1.00 24.24 O ATOM 1104 CB ARG A 67 -8.014 14.337 -22.249 1.00 1.11 C ATOM 1105 CG ARG A 67 -9.145 13.346 -22.470 1.00 12.23 C ATOM 1106 CD ARG A 67 -10.500 13.977 -22.190 1.00 75.24 C ATOM 1107 NE ARG A 67 -11.409 13.846 -23.326 1.00 54.31 N ATOM 1108 CZ ARG A 67 -11.387 14.653 -24.381 1.00 74.24 C ATOM 1109 NH1 ARG A 67 -10.507 15.642 -24.446 1.00 11.14 N ATOM 1110 NH2 ARG A 67 -12.247 14.470 -25.376 1.00 20.04 N ATOM 0 H ARG A 67 -5.987 15.742 -22.272 1.00 42.50 H new ATOM 0 HA ARG A 67 -6.352 13.049 -21.801 1.00 13.35 H new ATOM 0 HB2 ARG A 67 -8.029 14.667 -21.210 1.00 1.11 H new ATOM 0 HB3 ARG A 67 -8.188 15.218 -22.866 1.00 1.11 H new ATOM 0 HG2 ARG A 67 -9.117 12.983 -23.497 1.00 12.23 H new ATOM 0 HG3 ARG A 67 -9.004 12.481 -21.822 1.00 12.23 H new ATOM 0 HD2 ARG A 67 -10.945 13.506 -21.313 1.00 75.24 H new ATOM 0 HD3 ARG A 67 -10.366 15.032 -21.952 1.00 75.24 H new ATOM 0 HE ARG A 67 -12.098 13.094 -23.308 1.00 54.31 H new ATOM 0 HH11 ARG A 67 -9.844 15.785 -23.684 1.00 11.14 H new ATOM 0 HH12 ARG A 67 -10.493 16.260 -25.258 1.00 11.14 H new ATOM 0 HH21 ARG A 67 -12.925 13.709 -25.331 1.00 20.04 H new ATOM 0 HH22 ARG A 67 -12.230 15.090 -26.186 1.00 20.04 H new ATOM 1124 N GLU A 68 -6.298 13.767 -24.974 1.00 22.52 N ATOM 1125 CA GLU A 68 -6.288 13.196 -26.316 1.00 1.03 C ATOM 1126 C GLU A 68 -5.396 11.959 -26.374 1.00 75.24 C ATOM 1127 O GLU A 68 -5.615 11.060 -27.188 1.00 11.33 O ATOM 1128 CB GLU A 68 -5.806 14.234 -27.332 1.00 31.24 C ATOM 1129 CG GLU A 68 -6.824 14.541 -28.417 1.00 10.40 C ATOM 1130 CD GLU A 68 -6.488 15.801 -29.192 1.00 33.13 C ATOM 1131 OE1 GLU A 68 -5.558 16.522 -28.775 1.00 44.34 O ATOM 1132 OE2 GLU A 68 -7.156 16.065 -30.213 1.00 44.34 O ATOM 0 H GLU A 68 -6.005 14.743 -24.928 1.00 22.52 H new ATOM 0 HA GLU A 68 -7.307 12.900 -26.565 1.00 1.03 H new ATOM 0 HB2 GLU A 68 -5.558 15.156 -26.807 1.00 31.24 H new ATOM 0 HB3 GLU A 68 -4.888 13.875 -27.798 1.00 31.24 H new ATOM 0 HG2 GLU A 68 -6.880 13.699 -29.107 1.00 10.40 H new ATOM 0 HG3 GLU A 68 -7.810 14.649 -27.965 1.00 10.40 H new ATOM 1139 N HIS A 69 -4.390 11.920 -25.507 1.00 33.14 N ATOM 1140 CA HIS A 69 -3.465 10.793 -25.459 1.00 0.41 C ATOM 1141 C HIS A 69 -3.786 9.876 -24.283 1.00 2.23 C ATOM 1142 O HIS A 69 -3.034 8.948 -23.983 1.00 52.45 O ATOM 1143 CB HIS A 69 -2.024 11.294 -25.352 1.00 72.22 C ATOM 1144 CG HIS A 69 -1.355 11.481 -26.679 1.00 72.32 C ATOM 1145 ND1 HIS A 69 -0.020 11.211 -26.893 1.00 40.25 N ATOM 1146 CD2 HIS A 69 -1.846 11.912 -27.865 1.00 25.41 C ATOM 1147 CE1 HIS A 69 0.282 11.470 -28.153 1.00 65.22 C ATOM 1148 NE2 HIS A 69 -0.808 11.896 -28.764 1.00 71.15 N ATOM 0 H HIS A 69 -4.194 12.656 -24.828 1.00 33.14 H new ATOM 0 HA HIS A 69 -3.577 10.223 -26.382 1.00 0.41 H new ATOM 0 HB2 HIS A 69 -2.017 12.242 -24.814 1.00 72.22 H new ATOM 0 HB3 HIS A 69 -1.445 10.586 -24.759 1.00 72.22 H new ATOM 0 HD2 HIS A 69 -2.864 12.212 -28.066 1.00 25.41 H new ATOM 0 HE1 HIS A 69 1.255 11.353 -28.606 1.00 65.22 H new ATOM 0 HE2 HIS A 69 -0.869 12.169 -29.745 1.00 71.15 H new ATOM 1156 N SER A 70 -4.906 10.143 -23.619 1.00 31.11 N ATOM 1157 CA SER A 70 -5.324 9.344 -22.473 1.00 1.35 C ATOM 1158 C SER A 70 -5.323 7.858 -22.817 1.00 34.04 C ATOM 1159 O SER A 70 -5.190 7.007 -21.938 1.00 11.22 O ATOM 1160 CB SER A 70 -6.718 9.771 -22.008 1.00 5.35 C ATOM 1161 OG SER A 70 -7.702 9.430 -22.968 1.00 33.25 O ATOM 0 H SER A 70 -5.540 10.906 -23.855 1.00 31.11 H new ATOM 0 HA SER A 70 -4.612 9.512 -21.665 1.00 1.35 H new ATOM 0 HB2 SER A 70 -6.951 9.291 -21.058 1.00 5.35 H new ATOM 0 HB3 SER A 70 -6.733 10.847 -21.834 1.00 5.35 H new ATOM 0 HG SER A 70 -7.773 10.147 -23.633 1.00 33.25 H new ATOM 1167 N GLU A 71 -5.474 7.555 -24.102 1.00 64.52 N ATOM 1168 CA GLU A 71 -5.491 6.171 -24.563 1.00 14.12 C ATOM 1169 C GLU A 71 -4.124 5.519 -24.379 1.00 31.21 C ATOM 1170 O GLU A 71 -4.027 4.351 -24.001 1.00 63.33 O ATOM 1171 CB GLU A 71 -5.906 6.105 -26.034 1.00 53.41 C ATOM 1172 CG GLU A 71 -7.385 5.819 -26.237 1.00 65.34 C ATOM 1173 CD GLU A 71 -7.790 5.851 -27.698 1.00 44.33 C ATOM 1174 OE1 GLU A 71 -8.437 6.836 -28.112 1.00 1.11 O ATOM 1175 OE2 GLU A 71 -7.460 4.893 -28.428 1.00 21.25 O ATOM 0 H GLU A 71 -5.586 8.248 -24.842 1.00 64.52 H new ATOM 0 HA GLU A 71 -6.218 5.624 -23.963 1.00 14.12 H new ATOM 0 HB2 GLU A 71 -5.658 7.051 -26.516 1.00 53.41 H new ATOM 0 HB3 GLU A 71 -5.323 5.331 -26.533 1.00 53.41 H new ATOM 0 HG2 GLU A 71 -7.623 4.841 -25.819 1.00 65.34 H new ATOM 0 HG3 GLU A 71 -7.972 6.553 -25.685 1.00 65.34 H new ATOM 1182 N HIS A 72 -3.070 6.282 -24.649 1.00 62.12 N ATOM 1183 CA HIS A 72 -1.707 5.779 -24.514 1.00 13.11 C ATOM 1184 C HIS A 72 -1.206 5.946 -23.083 1.00 12.24 C ATOM 1185 O HIS A 72 -0.273 5.264 -22.657 1.00 15.41 O ATOM 1186 CB HIS A 72 -0.774 6.507 -25.482 1.00 0.24 C ATOM 1187 CG HIS A 72 -0.241 5.631 -26.573 1.00 63.00 C ATOM 1188 ND1 HIS A 72 -1.048 5.012 -27.503 1.00 75.14 N ATOM 1189 CD2 HIS A 72 1.028 5.273 -26.881 1.00 32.14 C ATOM 1190 CE1 HIS A 72 -0.300 4.309 -28.335 1.00 50.51 C ATOM 1191 NE2 HIS A 72 0.964 4.451 -27.979 1.00 40.42 N ATOM 0 H HIS A 72 -3.133 7.251 -24.962 1.00 62.12 H new ATOM 0 HA HIS A 72 -1.712 4.716 -24.757 1.00 13.11 H new ATOM 0 HB2 HIS A 72 -1.309 7.345 -25.929 1.00 0.24 H new ATOM 0 HB3 HIS A 72 0.062 6.925 -24.922 1.00 0.24 H new ATOM 0 HD2 HIS A 72 1.924 5.577 -26.360 1.00 32.14 H new ATOM 0 HE1 HIS A 72 -0.661 3.719 -29.165 1.00 50.51 H new ATOM 0 HE2 HIS A 72 1.763 4.020 -28.444 1.00 40.42 H new ATOM 1199 N PHE A 73 -1.831 6.858 -22.345 1.00 20.24 N ATOM 1200 CA PHE A 73 -1.447 7.116 -20.962 1.00 33.34 C ATOM 1201 C PHE A 73 -2.095 6.105 -20.020 1.00 14.22 C ATOM 1202 O PHE A 73 -1.422 5.487 -19.195 1.00 33.11 O ATOM 1203 CB PHE A 73 -1.846 8.536 -20.556 1.00 44.30 C ATOM 1204 CG PHE A 73 -0.869 9.585 -21.007 1.00 72.43 C ATOM 1205 CD1 PHE A 73 0.391 9.667 -20.438 1.00 65.25 C ATOM 1206 CD2 PHE A 73 -1.212 10.488 -22.000 1.00 54.30 C ATOM 1207 CE1 PHE A 73 1.293 10.630 -20.852 1.00 15.13 C ATOM 1208 CE2 PHE A 73 -0.316 11.453 -22.418 1.00 5.34 C ATOM 1209 CZ PHE A 73 0.938 11.525 -21.842 1.00 10.11 C ATOM 0 H PHE A 73 -2.605 7.430 -22.682 1.00 20.24 H new ATOM 0 HA PHE A 73 -0.364 7.015 -20.887 1.00 33.34 H new ATOM 0 HB2 PHE A 73 -2.828 8.762 -20.972 1.00 44.30 H new ATOM 0 HB3 PHE A 73 -1.941 8.582 -19.471 1.00 44.30 H new ATOM 0 HD1 PHE A 73 0.672 8.971 -19.662 1.00 65.25 H new ATOM 0 HD2 PHE A 73 -2.191 10.437 -22.453 1.00 54.30 H new ATOM 0 HE1 PHE A 73 2.273 10.682 -20.402 1.00 15.13 H new ATOM 0 HE2 PHE A 73 -0.595 12.150 -23.194 1.00 5.34 H new ATOM 0 HZ PHE A 73 1.639 12.280 -22.166 1.00 10.11 H new ATOM 1219 N LYS A 74 -3.408 5.943 -20.149 1.00 21.24 N ATOM 1220 CA LYS A 74 -4.149 5.008 -19.311 1.00 74.40 C ATOM 1221 C LYS A 74 -3.592 3.595 -19.448 1.00 24.53 C ATOM 1222 O LYS A 74 -3.768 2.759 -18.561 1.00 45.32 O ATOM 1223 CB LYS A 74 -5.633 5.020 -19.687 1.00 1.32 C ATOM 1224 CG LYS A 74 -6.437 3.914 -19.026 1.00 52.10 C ATOM 1225 CD LYS A 74 -6.545 2.692 -19.922 1.00 21.41 C ATOM 1226 CE LYS A 74 -7.992 2.383 -20.273 1.00 15.53 C ATOM 1227 NZ LYS A 74 -8.108 1.182 -21.146 1.00 11.55 N ATOM 0 H LYS A 74 -3.980 6.447 -20.826 1.00 21.24 H new ATOM 0 HA LYS A 74 -4.040 5.324 -18.274 1.00 74.40 H new ATOM 0 HB2 LYS A 74 -6.061 5.984 -19.411 1.00 1.32 H new ATOM 0 HB3 LYS A 74 -5.726 4.928 -20.769 1.00 1.32 H new ATOM 0 HG2 LYS A 74 -5.967 3.635 -18.083 1.00 52.10 H new ATOM 0 HG3 LYS A 74 -7.435 4.281 -18.788 1.00 52.10 H new ATOM 0 HD2 LYS A 74 -5.976 2.859 -20.836 1.00 21.41 H new ATOM 0 HD3 LYS A 74 -6.100 1.832 -19.421 1.00 21.41 H new ATOM 0 HE2 LYS A 74 -8.561 2.222 -19.357 1.00 15.53 H new ATOM 0 HE3 LYS A 74 -8.435 3.242 -20.777 1.00 15.53 H new ATOM 0 HZ1 LYS A 74 -9.110 1.005 -21.362 1.00 11.55 H new ATOM 0 HZ2 LYS A 74 -7.586 1.344 -22.031 1.00 11.55 H new ATOM 0 HZ3 LYS A 74 -7.709 0.356 -20.655 1.00 11.55 H new ATOM 1241 N ALA A 75 -2.917 3.335 -20.563 1.00 75.32 N ATOM 1242 CA ALA A 75 -2.331 2.024 -20.814 1.00 30.15 C ATOM 1243 C ALA A 75 -1.131 1.777 -19.906 1.00 43.20 C ATOM 1244 O ALA A 75 -0.870 0.645 -19.498 1.00 45.22 O ATOM 1245 CB ALA A 75 -1.925 1.898 -22.275 1.00 34.45 C ATOM 0 H ALA A 75 -2.762 4.015 -21.307 1.00 75.32 H new ATOM 0 HA ALA A 75 -3.084 1.268 -20.592 1.00 30.15 H new ATOM 0 HB1 ALA A 75 -1.489 0.914 -22.448 1.00 34.45 H new ATOM 0 HB2 ALA A 75 -2.803 2.022 -22.909 1.00 34.45 H new ATOM 0 HB3 ALA A 75 -1.192 2.667 -22.516 1.00 34.45 H new ATOM 1251 N LYS A 76 -0.402 2.843 -19.593 1.00 51.44 N ATOM 1252 CA LYS A 76 0.771 2.744 -18.733 1.00 61.34 C ATOM 1253 C LYS A 76 0.444 1.981 -17.454 1.00 24.53 C ATOM 1254 O LYS A 76 1.270 1.223 -16.943 1.00 73.11 O ATOM 1255 CB LYS A 76 1.296 4.139 -18.388 1.00 14.23 C ATOM 1256 CG LYS A 76 2.598 4.123 -17.606 1.00 52.21 C ATOM 1257 CD LYS A 76 3.740 4.716 -18.414 1.00 2.35 C ATOM 1258 CE LYS A 76 5.040 3.964 -18.175 1.00 65.04 C ATOM 1259 NZ LYS A 76 5.979 4.737 -17.315 1.00 33.51 N ATOM 0 H LYS A 76 -0.604 3.787 -19.923 1.00 51.44 H new ATOM 0 HA LYS A 76 1.543 2.197 -19.275 1.00 61.34 H new ATOM 0 HB2 LYS A 76 1.443 4.701 -19.310 1.00 14.23 H new ATOM 0 HB3 LYS A 76 0.540 4.669 -17.808 1.00 14.23 H new ATOM 0 HG2 LYS A 76 2.475 4.686 -16.681 1.00 52.21 H new ATOM 0 HG3 LYS A 76 2.843 3.098 -17.326 1.00 52.21 H new ATOM 0 HD2 LYS A 76 3.491 4.686 -19.475 1.00 2.35 H new ATOM 0 HD3 LYS A 76 3.870 5.765 -18.147 1.00 2.35 H new ATOM 0 HE2 LYS A 76 4.823 3.005 -17.705 1.00 65.04 H new ATOM 0 HE3 LYS A 76 5.517 3.750 -19.132 1.00 65.04 H new ATOM 0 HZ1 LYS A 76 6.853 4.190 -17.176 1.00 33.51 H new ATOM 0 HZ2 LYS A 76 6.206 5.642 -17.775 1.00 33.51 H new ATOM 0 HZ3 LYS A 76 5.535 4.920 -16.393 1.00 33.51 H new ATOM 1273 N PHE A 77 -0.765 2.184 -16.941 1.00 43.01 N ATOM 1274 CA PHE A 77 -1.200 1.514 -15.721 1.00 54.42 C ATOM 1275 C PHE A 77 -0.896 0.021 -15.782 1.00 63.52 C ATOM 1276 O PHE A 77 -0.516 -0.588 -14.782 1.00 43.42 O ATOM 1277 CB PHE A 77 -2.699 1.732 -15.502 1.00 0.20 C ATOM 1278 CG PHE A 77 -3.027 2.343 -14.170 1.00 14.23 C ATOM 1279 CD1 PHE A 77 -2.411 1.890 -13.014 1.00 52.43 C ATOM 1280 CD2 PHE A 77 -3.953 3.370 -14.073 1.00 22.12 C ATOM 1281 CE1 PHE A 77 -2.711 2.451 -11.787 1.00 22.33 C ATOM 1282 CE2 PHE A 77 -4.256 3.934 -12.848 1.00 51.22 C ATOM 1283 CZ PHE A 77 -3.635 3.473 -11.704 1.00 13.34 C ATOM 0 H PHE A 77 -1.461 2.807 -17.351 1.00 43.01 H new ATOM 0 HA PHE A 77 -0.650 1.944 -14.884 1.00 54.42 H new ATOM 0 HB2 PHE A 77 -3.084 2.376 -16.293 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -3.214 0.775 -15.591 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -1.688 1.090 -13.073 1.00 52.43 H new ATOM 0 HD2 PHE A 77 -4.443 3.733 -14.964 1.00 22.12 H new ATOM 0 HE1 PHE A 77 -2.223 2.090 -10.894 1.00 22.33 H new ATOM 0 HE2 PHE A 77 -4.978 4.735 -12.786 1.00 51.22 H new ATOM 0 HZ PHE A 77 -3.872 3.911 -10.746 1.00 13.34 H new ATOM 1293 N ALA A 78 -1.066 -0.564 -16.963 1.00 72.24 N ATOM 1294 CA ALA A 78 -0.809 -1.986 -17.156 1.00 45.13 C ATOM 1295 C ALA A 78 0.646 -2.326 -16.851 1.00 63.44 C ATOM 1296 O ALA A 78 0.939 -3.367 -16.264 1.00 20.11 O ATOM 1297 CB ALA A 78 -1.162 -2.398 -18.577 1.00 75.34 C ATOM 0 H ALA A 78 -1.381 -0.075 -17.801 1.00 72.24 H new ATOM 0 HA ALA A 78 -1.439 -2.542 -16.461 1.00 45.13 H new ATOM 0 HB1 ALA A 78 -0.965 -3.462 -18.707 1.00 75.34 H new ATOM 0 HB2 ALA A 78 -2.218 -2.199 -18.762 1.00 75.34 H new ATOM 0 HB3 ALA A 78 -0.557 -1.828 -19.282 1.00 75.34 H new ATOM 1303 N GLU A 79 1.553 -1.443 -17.255 1.00 44.44 N ATOM 1304 CA GLU A 79 2.978 -1.652 -17.026 1.00 1.01 C ATOM 1305 C GLU A 79 3.403 -1.075 -15.678 1.00 74.53 C ATOM 1306 O GLU A 79 4.426 -1.468 -15.117 1.00 23.11 O ATOM 1307 CB GLU A 79 3.798 -1.011 -18.148 1.00 73.40 C ATOM 1308 CG GLU A 79 5.248 -0.757 -17.773 1.00 50.34 C ATOM 1309 CD GLU A 79 6.111 -0.423 -18.975 1.00 11.43 C ATOM 1310 OE1 GLU A 79 5.548 -0.220 -20.071 1.00 33.11 O ATOM 1311 OE2 GLU A 79 7.348 -0.364 -18.819 1.00 44.21 O ATOM 0 H GLU A 79 1.327 -0.576 -17.742 1.00 44.44 H new ATOM 0 HA GLU A 79 3.164 -2.726 -17.018 1.00 1.01 H new ATOM 0 HB2 GLU A 79 3.766 -1.658 -19.025 1.00 73.40 H new ATOM 0 HB3 GLU A 79 3.334 -0.066 -18.432 1.00 73.40 H new ATOM 0 HG2 GLU A 79 5.296 0.063 -17.057 1.00 50.34 H new ATOM 0 HG3 GLU A 79 5.651 -1.639 -17.275 1.00 50.34 H new ATOM 1318 N LEU A 80 2.610 -0.142 -15.165 1.00 14.50 N ATOM 1319 CA LEU A 80 2.902 0.491 -13.883 1.00 62.33 C ATOM 1320 C LEU A 80 3.068 -0.555 -12.785 1.00 71.24 C ATOM 1321 O LEU A 80 4.018 -0.504 -12.003 1.00 70.51 O ATOM 1322 CB LEU A 80 1.787 1.468 -13.508 1.00 40.20 C ATOM 1323 CG LEU A 80 1.929 2.890 -14.053 1.00 22.12 C ATOM 1324 CD1 LEU A 80 0.742 3.743 -13.634 1.00 40.21 C ATOM 1325 CD2 LEU A 80 3.232 3.516 -13.577 1.00 62.50 C ATOM 0 H LEU A 80 1.759 0.194 -15.617 1.00 14.50 H new ATOM 0 HA LEU A 80 3.839 1.040 -13.982 1.00 62.33 H new ATOM 0 HB2 LEU A 80 0.840 1.059 -13.859 1.00 40.20 H new ATOM 0 HB3 LEU A 80 1.728 1.521 -12.421 1.00 40.20 H new ATOM 0 HG LEU A 80 1.949 2.841 -15.142 1.00 22.12 H new ATOM 0 HD11 LEU A 80 0.860 4.751 -14.031 1.00 40.21 H new ATOM 0 HD12 LEU A 80 -0.177 3.305 -14.024 1.00 40.21 H new ATOM 0 HD13 LEU A 80 0.690 3.785 -12.546 1.00 40.21 H new ATOM 0 HD21 LEU A 80 3.316 4.527 -13.974 1.00 62.50 H new ATOM 0 HD22 LEU A 80 3.242 3.552 -12.488 1.00 62.50 H new ATOM 0 HD23 LEU A 80 4.073 2.917 -13.928 1.00 62.50 H new ATOM 1337 N LEU A 81 2.139 -1.504 -12.734 1.00 42.42 N ATOM 1338 CA LEU A 81 2.183 -2.564 -11.733 1.00 62.25 C ATOM 1339 C LEU A 81 3.564 -3.210 -11.685 1.00 21.12 C ATOM 1340 O LEU A 81 4.058 -3.560 -10.614 1.00 3.25 O ATOM 1341 CB LEU A 81 1.123 -3.624 -12.038 1.00 15.44 C ATOM 1342 CG LEU A 81 -0.100 -3.632 -11.120 1.00 33.14 C ATOM 1343 CD1 LEU A 81 -1.382 -3.616 -11.938 1.00 31.33 C ATOM 1344 CD2 LEU A 81 -0.068 -4.844 -10.199 1.00 42.52 C ATOM 0 H LEU A 81 1.347 -1.561 -13.374 1.00 42.42 H new ATOM 0 HA LEU A 81 1.975 -2.120 -10.760 1.00 62.25 H new ATOM 0 HB2 LEU A 81 0.782 -3.484 -13.064 1.00 15.44 H new ATOM 0 HB3 LEU A 81 1.595 -4.605 -11.990 1.00 15.44 H new ATOM 0 HG LEU A 81 -0.074 -2.732 -10.505 1.00 33.14 H new ATOM 0 HD11 LEU A 81 -2.241 -3.622 -11.268 1.00 31.33 H new ATOM 0 HD12 LEU A 81 -1.409 -2.718 -12.555 1.00 31.33 H new ATOM 0 HD13 LEU A 81 -1.416 -4.497 -12.579 1.00 31.33 H new ATOM 0 HD21 LEU A 81 -0.946 -4.833 -9.553 1.00 42.52 H new ATOM 0 HD22 LEU A 81 -0.069 -5.755 -10.797 1.00 42.52 H new ATOM 0 HD23 LEU A 81 0.833 -4.812 -9.587 1.00 42.52 H new ATOM 1356 N GLU A 82 4.182 -3.363 -12.852 1.00 11.10 N ATOM 1357 CA GLU A 82 5.507 -3.965 -12.941 1.00 72.41 C ATOM 1358 C GLU A 82 6.597 -2.911 -12.768 1.00 34.40 C ATOM 1359 O GLU A 82 7.705 -3.217 -12.330 1.00 21.23 O ATOM 1360 CB GLU A 82 5.679 -4.676 -14.285 1.00 74.50 C ATOM 1361 CG GLU A 82 4.678 -5.797 -14.513 1.00 51.12 C ATOM 1362 CD GLU A 82 4.810 -6.913 -13.495 1.00 71.14 C ATOM 1363 OE1 GLU A 82 5.917 -7.083 -12.943 1.00 31.42 O ATOM 1364 OE2 GLU A 82 3.807 -7.616 -13.252 1.00 22.24 O ATOM 0 H GLU A 82 3.787 -3.079 -13.748 1.00 11.10 H new ATOM 0 HA GLU A 82 5.601 -4.695 -12.137 1.00 72.41 H new ATOM 0 HB2 GLU A 82 5.583 -3.945 -15.088 1.00 74.50 H new ATOM 0 HB3 GLU A 82 6.688 -5.084 -14.344 1.00 74.50 H new ATOM 0 HG2 GLU A 82 3.667 -5.391 -14.472 1.00 51.12 H new ATOM 0 HG3 GLU A 82 4.817 -6.205 -15.514 1.00 51.12 H new ATOM 1371 N GLN A 83 6.272 -1.670 -13.116 1.00 60.40 N ATOM 1372 CA GLN A 83 7.223 -0.572 -13.000 1.00 44.54 C ATOM 1373 C GLN A 83 7.810 -0.505 -11.594 1.00 70.01 C ATOM 1374 O GLN A 83 9.028 -0.525 -11.419 1.00 32.44 O ATOM 1375 CB GLN A 83 6.546 0.756 -13.347 1.00 24.33 C ATOM 1376 CG GLN A 83 7.431 1.969 -13.112 1.00 42.42 C ATOM 1377 CD GLN A 83 6.851 2.926 -12.089 1.00 30.41 C ATOM 1378 OE1 GLN A 83 6.429 2.389 -10.950 1.00 52.34 O flip ATOM 1379 NE2 GLN A 83 6.783 4.133 -12.319 1.00 13.31 N flip ATOM 0 H GLN A 83 5.358 -1.401 -13.480 1.00 60.40 H new ATOM 0 HA GLN A 83 8.035 -0.753 -13.704 1.00 44.54 H new ATOM 0 HB2 GLN A 83 6.241 0.736 -14.393 1.00 24.33 H new ATOM 0 HB3 GLN A 83 5.638 0.858 -12.752 1.00 24.33 H new ATOM 0 HG2 GLN A 83 8.414 1.637 -12.777 1.00 42.42 H new ATOM 0 HG3 GLN A 83 7.577 2.496 -14.055 1.00 42.42 H new ATOM 0 HE21 GLN A 83 7.119 4.502 -13.208 1.00 13.31 H new ATOM 0 HE22 GLN A 83 6.390 4.764 -11.620 1.00 13.31 H new ATOM 1388 N GLN A 84 6.935 -0.425 -10.597 1.00 22.03 N ATOM 1389 CA GLN A 84 7.368 -0.354 -9.206 1.00 34.41 C ATOM 1390 C GLN A 84 8.469 -1.372 -8.926 1.00 14.12 C ATOM 1391 O GLN A 84 9.618 -1.007 -8.677 1.00 12.11 O ATOM 1392 CB GLN A 84 6.183 -0.596 -8.269 1.00 1.34 C ATOM 1393 CG GLN A 84 5.189 -1.618 -8.795 1.00 62.41 C ATOM 1394 CD GLN A 84 4.943 -2.750 -7.817 1.00 14.22 C ATOM 1395 OE1 GLN A 84 4.764 -2.406 -6.547 1.00 62.30 O flip ATOM 1396 NE2 GLN A 84 4.913 -3.920 -8.198 1.00 33.13 N flip ATOM 0 H GLN A 84 5.923 -0.408 -10.726 1.00 22.03 H new ATOM 0 HA GLN A 84 7.767 0.644 -9.026 1.00 34.41 H new ATOM 0 HB2 GLN A 84 6.558 -0.931 -7.302 1.00 1.34 H new ATOM 0 HB3 GLN A 84 5.665 0.348 -8.100 1.00 1.34 H new ATOM 0 HG2 GLN A 84 4.244 -1.121 -9.014 1.00 62.41 H new ATOM 0 HG3 GLN A 84 5.559 -2.029 -9.735 1.00 62.41 H new ATOM 0 HE21 GLN A 84 5.056 -4.139 -9.184 1.00 33.13 H new ATOM 0 HE22 GLN A 84 4.745 -4.670 -7.528 1.00 33.13 H new ATOM 1405 N LYS A 85 8.110 -2.651 -8.967 1.00 50.35 N ATOM 1406 CA LYS A 85 9.067 -3.723 -8.719 1.00 53.42 C ATOM 1407 C LYS A 85 10.292 -3.577 -9.617 1.00 34.35 C ATOM 1408 O LYS A 85 11.426 -3.704 -9.159 1.00 3.34 O ATOM 1409 CB LYS A 85 8.409 -5.085 -8.952 1.00 43.21 C ATOM 1410 CG LYS A 85 7.783 -5.680 -7.703 1.00 1.44 C ATOM 1411 CD LYS A 85 6.680 -6.666 -8.047 1.00 62.32 C ATOM 1412 CE LYS A 85 6.778 -7.928 -7.204 1.00 31.40 C ATOM 1413 NZ LYS A 85 5.434 -8.464 -6.850 1.00 24.30 N ATOM 0 H LYS A 85 7.163 -2.970 -9.170 1.00 50.35 H new ATOM 0 HA LYS A 85 9.390 -3.656 -7.680 1.00 53.42 H new ATOM 0 HB2 LYS A 85 7.641 -4.982 -9.719 1.00 43.21 H new ATOM 0 HB3 LYS A 85 9.156 -5.778 -9.340 1.00 43.21 H new ATOM 0 HG2 LYS A 85 8.551 -6.182 -7.114 1.00 1.44 H new ATOM 0 HG3 LYS A 85 7.377 -4.881 -7.082 1.00 1.44 H new ATOM 0 HD2 LYS A 85 5.709 -6.197 -7.890 1.00 62.32 H new ATOM 0 HD3 LYS A 85 6.740 -6.927 -9.104 1.00 62.32 H new ATOM 0 HE2 LYS A 85 7.339 -8.687 -7.750 1.00 31.40 H new ATOM 0 HE3 LYS A 85 7.335 -7.713 -6.292 1.00 31.40 H new ATOM 0 HZ1 LYS A 85 5.544 -9.324 -6.275 1.00 24.30 H new ATOM 0 HZ2 LYS A 85 4.907 -7.750 -6.308 1.00 24.30 H new ATOM 0 HZ3 LYS A 85 4.911 -8.693 -7.720 1.00 24.30 H new