USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 107 ASNHD21 : A 107 ASN ND2 : A 2 CACA :(H bumps) USER MOD Set 1.1: A 103 MET CE :methyl -125:sc= -1.38 (180deg=-2.86!) USER MOD Set 1.2: A 120 MET CE :methyl -140:sc= -0.482 (180deg=-1.37) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.186 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.8!) USER MOD Single : A 124 THR OG1 : rot -54:sc= 0.445 USER MOD Single : A 127 THR OG1 : rot -12:sc= 0.925 USER MOD Single : A 129 THR OG1 : rot -151:sc= -0.545! USER MOD Single : A 137 MET CE :methyl 174:sc= -6.96! (180deg=-7.52!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN :FLIP amide:sc= -4.35! C(o=-5.4!,f=-4.3!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 156:sc= -0.397 (180deg=-2.41!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 54.119 12.122 16.313 1.00 0.00 N ATOM 2 CA GLY A 91 52.937 12.000 17.160 1.00 0.00 C ATOM 3 C GLY A 91 52.641 10.537 17.469 1.00 0.00 C ATOM 4 O GLY A 91 52.411 10.163 18.619 1.00 0.00 O ATOM 0 HA2 GLY A 91 53.092 12.548 18.089 1.00 0.00 H new ATOM 0 HA3 GLY A 91 52.079 12.452 16.662 1.00 0.00 H new ATOM 8 N LYS A 92 52.650 9.712 16.425 1.00 0.00 N ATOM 9 CA LYS A 92 52.382 8.286 16.590 1.00 0.00 C ATOM 10 C LYS A 92 53.655 7.547 16.992 1.00 0.00 C ATOM 11 O LYS A 92 54.754 8.100 16.940 1.00 0.00 O ATOM 12 CB LYS A 92 51.852 7.684 15.287 1.00 0.00 C ATOM 13 CG LYS A 92 50.838 8.639 14.655 1.00 0.00 C ATOM 14 CD LYS A 92 50.072 7.910 13.548 1.00 0.00 C ATOM 15 CE LYS A 92 51.061 7.178 12.638 1.00 0.00 C ATOM 16 NZ LYS A 92 50.713 7.438 11.212 1.00 0.00 N ATOM 0 H LYS A 92 52.838 10.002 15.465 1.00 0.00 H new ATOM 0 HA LYS A 92 51.632 8.176 17.373 1.00 0.00 H new ATOM 0 HB2 LYS A 92 52.676 7.504 14.597 1.00 0.00 H new ATOM 0 HB3 LYS A 92 51.384 6.719 15.484 1.00 0.00 H new ATOM 0 HG2 LYS A 92 50.144 9.003 15.413 1.00 0.00 H new ATOM 0 HG3 LYS A 92 51.349 9.510 14.245 1.00 0.00 H new ATOM 0 HD2 LYS A 92 49.369 7.200 13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 92 49.486 8.622 12.967 1.00 0.00 H new ATOM 0 HE2 LYS A 92 52.077 7.515 12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 92 51.034 6.107 12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 51.385 6.940 10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 49.750 7.096 11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 50.761 8.460 11.024 1.00 0.00 H new ATOM 30 N SER A 93 53.494 6.288 17.389 1.00 0.00 N ATOM 31 CA SER A 93 54.636 5.474 17.796 1.00 0.00 C ATOM 32 C SER A 93 54.811 4.291 16.848 1.00 0.00 C ATOM 33 O SER A 93 54.044 4.118 15.901 1.00 0.00 O ATOM 34 CB SER A 93 54.441 4.946 19.217 1.00 0.00 C ATOM 35 OG SER A 93 55.123 5.794 20.131 1.00 0.00 O ATOM 0 H SER A 93 52.593 5.812 17.438 1.00 0.00 H new ATOM 0 HA SER A 93 55.525 6.104 17.763 1.00 0.00 H new ATOM 0 HB2 SER A 93 53.379 4.909 19.461 1.00 0.00 H new ATOM 0 HB3 SER A 93 54.822 3.928 19.294 1.00 0.00 H new ATOM 0 HG SER A 93 54.998 5.459 21.043 1.00 0.00 H new ATOM 41 N GLU A 94 55.829 3.478 17.116 1.00 0.00 N ATOM 42 CA GLU A 94 56.097 2.311 16.281 1.00 0.00 C ATOM 43 C GLU A 94 54.934 1.327 16.354 1.00 0.00 C ATOM 44 O GLU A 94 54.784 0.455 15.498 1.00 0.00 O ATOM 45 CB GLU A 94 57.376 1.606 16.739 1.00 0.00 C ATOM 46 CG GLU A 94 58.541 2.596 16.712 1.00 0.00 C ATOM 47 CD GLU A 94 59.749 1.977 17.407 1.00 0.00 C ATOM 48 OE1 GLU A 94 60.137 0.887 17.018 1.00 0.00 O ATOM 49 OE2 GLU A 94 60.268 2.601 18.318 1.00 0.00 O ATOM 0 H GLU A 94 56.475 3.603 17.895 1.00 0.00 H new ATOM 0 HA GLU A 94 56.221 2.653 15.254 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.245 1.210 17.746 1.00 0.00 H new ATOM 0 HB3 GLU A 94 57.590 0.758 16.088 1.00 0.00 H new ATOM 0 HG2 GLU A 94 58.792 2.851 15.682 1.00 0.00 H new ATOM 0 HG3 GLU A 94 58.257 3.523 17.210 1.00 0.00 H new ATOM 56 N GLU A 95 54.112 1.477 17.389 1.00 0.00 N ATOM 57 CA GLU A 95 52.961 0.596 17.567 1.00 0.00 C ATOM 58 C GLU A 95 52.073 0.627 16.328 1.00 0.00 C ATOM 59 O GLU A 95 51.580 -0.406 15.873 1.00 0.00 O ATOM 60 CB GLU A 95 52.140 1.027 18.783 1.00 0.00 C ATOM 61 CG GLU A 95 50.873 0.173 18.875 1.00 0.00 C ATOM 62 CD GLU A 95 50.040 0.629 20.067 1.00 0.00 C ATOM 63 OE1 GLU A 95 49.232 1.526 19.892 1.00 0.00 O ATOM 64 OE2 GLU A 95 50.223 0.075 21.139 1.00 0.00 O ATOM 0 H GLU A 95 54.219 2.191 18.109 1.00 0.00 H new ATOM 0 HA GLU A 95 53.332 -0.417 17.723 1.00 0.00 H new ATOM 0 HB2 GLU A 95 52.732 0.917 19.692 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.875 2.081 18.701 1.00 0.00 H new ATOM 0 HG2 GLU A 95 50.293 0.263 17.956 1.00 0.00 H new ATOM 0 HG3 GLU A 95 51.137 -0.879 18.983 1.00 0.00 H new ATOM 71 N GLU A 96 51.877 1.825 15.783 1.00 0.00 N ATOM 72 CA GLU A 96 51.049 1.982 14.591 1.00 0.00 C ATOM 73 C GLU A 96 51.816 1.526 13.354 1.00 0.00 C ATOM 74 O GLU A 96 51.260 0.889 12.461 1.00 0.00 O ATOM 75 CB GLU A 96 50.634 3.445 14.413 1.00 0.00 C ATOM 76 CG GLU A 96 49.977 3.950 15.699 1.00 0.00 C ATOM 77 CD GLU A 96 48.893 2.971 16.136 1.00 0.00 C ATOM 78 OE1 GLU A 96 48.113 2.564 15.290 1.00 0.00 O ATOM 79 OE2 GLU A 96 48.858 2.641 17.310 1.00 0.00 O ATOM 0 H GLU A 96 52.275 2.692 16.143 1.00 0.00 H new ATOM 0 HA GLU A 96 50.156 1.369 14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 96 51.505 4.055 14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 96 49.941 3.538 13.577 1.00 0.00 H new ATOM 0 HG2 GLU A 96 50.725 4.055 16.485 1.00 0.00 H new ATOM 0 HG3 GLU A 96 49.545 4.938 15.536 1.00 0.00 H new ATOM 86 N LEU A 97 53.104 1.861 13.320 1.00 0.00 N ATOM 87 CA LEU A 97 53.959 1.486 12.197 1.00 0.00 C ATOM 88 C LEU A 97 53.562 0.117 11.656 1.00 0.00 C ATOM 89 O LEU A 97 53.423 -0.071 10.447 1.00 0.00 O ATOM 90 CB LEU A 97 55.423 1.441 12.638 1.00 0.00 C ATOM 91 CG LEU A 97 56.217 2.508 11.884 1.00 0.00 C ATOM 92 CD1 LEU A 97 57.583 2.690 12.546 1.00 0.00 C ATOM 93 CD2 LEU A 97 56.410 2.065 10.432 1.00 0.00 C ATOM 0 H LEU A 97 53.576 2.389 14.054 1.00 0.00 H new ATOM 0 HA LEU A 97 53.835 2.234 11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 97 55.495 1.610 13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 97 55.843 0.454 12.442 1.00 0.00 H new ATOM 0 HG LEU A 97 55.673 3.452 11.909 1.00 0.00 H new ATOM 0 HD11 LEU A 97 58.149 3.451 12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 97 57.447 3.003 13.581 1.00 0.00 H new ATOM 0 HD13 LEU A 97 58.128 1.746 12.521 1.00 0.00 H new ATOM 0 HD21 LEU A 97 56.976 2.824 9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 97 56.955 1.121 10.409 1.00 0.00 H new ATOM 0 HD23 LEU A 97 55.437 1.934 9.959 1.00 0.00 H new ATOM 105 N SER A 98 53.376 -0.837 12.565 1.00 0.00 N ATOM 106 CA SER A 98 52.990 -2.186 12.163 1.00 0.00 C ATOM 107 C SER A 98 51.970 -2.121 11.032 1.00 0.00 C ATOM 108 O SER A 98 52.063 -2.856 10.049 1.00 0.00 O ATOM 109 CB SER A 98 52.387 -2.949 13.345 1.00 0.00 C ATOM 110 OG SER A 98 50.970 -2.949 13.236 1.00 0.00 O ATOM 0 H SER A 98 53.484 -0.704 13.570 1.00 0.00 H new ATOM 0 HA SER A 98 53.883 -2.710 11.821 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.761 -3.973 13.360 1.00 0.00 H new ATOM 0 HB3 SER A 98 52.690 -2.485 14.284 1.00 0.00 H new ATOM 0 HG SER A 98 50.584 -3.439 13.992 1.00 0.00 H new ATOM 116 N ASP A 99 51.000 -1.222 11.179 1.00 0.00 N ATOM 117 CA ASP A 99 49.970 -1.057 10.159 1.00 0.00 C ATOM 118 C ASP A 99 50.610 -0.635 8.842 1.00 0.00 C ATOM 119 O ASP A 99 50.376 -1.241 7.799 1.00 0.00 O ATOM 120 CB ASP A 99 48.956 0.008 10.584 1.00 0.00 C ATOM 121 CG ASP A 99 48.199 -0.472 11.818 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.693 -0.256 12.912 1.00 0.00 O ATOM 123 OD2 ASP A 99 47.137 -1.049 11.649 1.00 0.00 O ATOM 0 H ASP A 99 50.906 -0.604 11.985 1.00 0.00 H new ATOM 0 HA ASP A 99 49.456 -2.010 10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 99 49.467 0.946 10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 99 48.258 0.206 9.770 1.00 0.00 H new ATOM 128 N LEU A 100 51.427 0.413 8.909 1.00 0.00 N ATOM 129 CA LEU A 100 52.110 0.917 7.721 1.00 0.00 C ATOM 130 C LEU A 100 52.681 -0.241 6.906 1.00 0.00 C ATOM 131 O LEU A 100 52.261 -0.491 5.777 1.00 0.00 O ATOM 132 CB LEU A 100 53.248 1.859 8.122 1.00 0.00 C ATOM 133 CG LEU A 100 52.963 3.261 7.582 1.00 0.00 C ATOM 134 CD1 LEU A 100 54.139 4.182 7.909 1.00 0.00 C ATOM 135 CD2 LEU A 100 52.774 3.194 6.065 1.00 0.00 C ATOM 0 H LEU A 100 51.631 0.926 9.766 1.00 0.00 H new ATOM 0 HA LEU A 100 51.385 1.462 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 100 53.345 1.888 9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 100 54.195 1.491 7.727 1.00 0.00 H new ATOM 0 HG LEU A 100 52.056 3.651 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 100 53.936 5.181 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.274 4.230 8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 100 55.046 3.792 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 100 52.571 4.193 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 100 53.680 2.804 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 100 51.936 2.537 5.831 1.00 0.00 H new ATOM 147 N PHE A 101 53.644 -0.946 7.496 1.00 0.00 N ATOM 148 CA PHE A 101 54.268 -2.080 6.822 1.00 0.00 C ATOM 149 C PHE A 101 53.204 -2.977 6.198 1.00 0.00 C ATOM 150 O PHE A 101 53.382 -3.506 5.101 1.00 0.00 O ATOM 151 CB PHE A 101 55.094 -2.905 7.810 1.00 0.00 C ATOM 152 CG PHE A 101 55.999 -3.843 7.048 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.460 -4.956 6.392 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.377 -3.599 6.996 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.298 -5.825 5.684 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.215 -4.468 6.287 1.00 0.00 C ATOM 157 CZ PHE A 101 57.676 -5.581 5.632 1.00 0.00 C ATOM 0 H PHE A 101 54.006 -0.754 8.430 1.00 0.00 H new ATOM 0 HA PHE A 101 54.921 -1.689 6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.687 -2.246 8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.435 -3.472 8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.397 -5.144 6.432 1.00 0.00 H new ATOM 0 HD2 PHE A 101 57.793 -2.741 7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 101 55.882 -6.684 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.278 -4.279 6.246 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.323 -6.252 5.086 1.00 0.00 H new ATOM 167 N ARG A 102 52.091 -3.135 6.909 1.00 0.00 N ATOM 168 CA ARG A 102 50.996 -3.964 6.414 1.00 0.00 C ATOM 169 C ARG A 102 50.208 -3.197 5.362 1.00 0.00 C ATOM 170 O ARG A 102 49.585 -3.780 4.474 1.00 0.00 O ATOM 171 CB ARG A 102 50.058 -4.356 7.556 1.00 0.00 C ATOM 172 CG ARG A 102 48.865 -5.128 6.992 1.00 0.00 C ATOM 173 CD ARG A 102 48.689 -6.435 7.766 1.00 0.00 C ATOM 174 NE ARG A 102 49.595 -7.461 7.258 1.00 0.00 N ATOM 175 CZ ARG A 102 49.516 -8.717 7.687 1.00 0.00 C ATOM 176 NH1 ARG A 102 48.617 -9.049 8.573 1.00 0.00 N ATOM 177 NH2 ARG A 102 50.336 -9.619 7.220 1.00 0.00 N ATOM 0 H ARG A 102 51.924 -2.706 7.819 1.00 0.00 H new ATOM 0 HA ARG A 102 51.419 -4.868 5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.590 -4.968 8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 102 49.713 -3.465 8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 102 47.960 -4.525 7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.022 -5.338 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 102 48.881 -6.265 8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.658 -6.778 7.680 1.00 0.00 H new ATOM 0 HE ARG A 102 50.299 -7.211 6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 102 47.975 -8.345 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 102 48.557 -10.013 8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 102 51.037 -9.360 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 102 50.275 -10.583 7.549 1.00 0.00 H new ATOM 191 N MET A 103 50.254 -1.875 5.475 1.00 0.00 N ATOM 192 CA MET A 103 49.557 -1.008 4.535 1.00 0.00 C ATOM 193 C MET A 103 50.267 -1.029 3.186 1.00 0.00 C ATOM 194 O MET A 103 49.697 -0.669 2.156 1.00 0.00 O ATOM 195 CB MET A 103 49.531 0.425 5.065 1.00 0.00 C ATOM 196 CG MET A 103 48.152 1.034 4.821 1.00 0.00 C ATOM 197 SD MET A 103 48.332 2.584 3.905 1.00 0.00 S ATOM 198 CE MET A 103 48.100 1.893 2.249 1.00 0.00 C ATOM 0 H MET A 103 50.766 -1.382 6.207 1.00 0.00 H new ATOM 0 HA MET A 103 48.536 -1.370 4.417 1.00 0.00 H new ATOM 0 HB2 MET A 103 49.761 0.434 6.130 1.00 0.00 H new ATOM 0 HB3 MET A 103 50.297 1.021 4.569 1.00 0.00 H new ATOM 0 HG2 MET A 103 47.529 0.338 4.260 1.00 0.00 H new ATOM 0 HG3 MET A 103 47.650 1.217 5.771 1.00 0.00 H new ATOM 0 HE1 MET A 103 48.951 2.158 1.622 1.00 0.00 H new ATOM 0 HE2 MET A 103 48.022 0.808 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 103 47.187 2.296 1.811 1.00 0.00 H new ATOM 208 N PHE A 104 51.524 -1.458 3.214 1.00 0.00 N ATOM 209 CA PHE A 104 52.330 -1.535 2.000 1.00 0.00 C ATOM 210 C PHE A 104 52.252 -2.938 1.407 1.00 0.00 C ATOM 211 O PHE A 104 52.108 -3.112 0.197 1.00 0.00 O ATOM 212 CB PHE A 104 53.791 -1.203 2.316 1.00 0.00 C ATOM 213 CG PHE A 104 54.431 -0.523 1.128 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.361 -1.110 -0.140 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.097 0.697 1.299 1.00 0.00 C ATOM 216 CE1 PHE A 104 54.956 -0.477 -1.239 1.00 0.00 C ATOM 217 CE2 PHE A 104 55.692 1.329 0.201 1.00 0.00 C ATOM 218 CZ PHE A 104 55.621 0.743 -1.068 1.00 0.00 C ATOM 0 H PHE A 104 52.006 -1.757 4.061 1.00 0.00 H new ATOM 0 HA PHE A 104 51.941 -0.814 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 104 53.845 -0.554 3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.336 -2.115 2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 104 53.848 -2.051 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.151 1.150 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 104 54.902 -0.930 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.206 2.269 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.079 1.232 -1.915 1.00 0.00 H new ATOM 228 N ASP A 105 52.348 -3.939 2.279 1.00 0.00 N ATOM 229 CA ASP A 105 52.287 -5.330 1.839 1.00 0.00 C ATOM 230 C ASP A 105 50.880 -5.681 1.370 1.00 0.00 C ATOM 231 O ASP A 105 49.949 -5.780 2.170 1.00 0.00 O ATOM 232 CB ASP A 105 52.679 -6.271 2.981 1.00 0.00 C ATOM 233 CG ASP A 105 53.504 -7.429 2.429 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.701 -7.256 2.275 1.00 0.00 O ATOM 235 OD2 ASP A 105 52.926 -8.472 2.171 1.00 0.00 O ATOM 0 H ASP A 105 52.467 -3.815 3.284 1.00 0.00 H new ATOM 0 HA ASP A 105 52.986 -5.450 1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.253 -5.728 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 105 51.785 -6.651 3.476 1.00 0.00 H new ATOM 240 N LYS A 106 50.738 -5.876 0.063 1.00 0.00 N ATOM 241 CA LYS A 106 49.441 -6.227 -0.508 1.00 0.00 C ATOM 242 C LYS A 106 49.492 -7.634 -1.094 1.00 0.00 C ATOM 243 O LYS A 106 48.613 -8.041 -1.854 1.00 0.00 O ATOM 244 CB LYS A 106 49.051 -5.237 -1.609 1.00 0.00 C ATOM 245 CG LYS A 106 50.312 -4.711 -2.297 1.00 0.00 C ATOM 246 CD LYS A 106 49.923 -3.668 -3.346 1.00 0.00 C ATOM 247 CE LYS A 106 49.691 -4.360 -4.691 1.00 0.00 C ATOM 248 NZ LYS A 106 48.313 -4.063 -5.172 1.00 0.00 N ATOM 0 H LYS A 106 51.496 -5.798 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 106 48.696 -6.187 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 106 48.404 -5.725 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 106 48.485 -4.409 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.983 -4.269 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.852 -5.532 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 106 49.020 -3.143 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 106 50.710 -2.920 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 106 50.424 -4.016 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 106 49.827 -5.436 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 48.155 -4.533 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 47.621 -4.412 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 48.199 -3.036 -5.287 1.00 0.00 H new ATOM 262 N ASN A 107 50.540 -8.371 -0.731 1.00 0.00 N ATOM 263 CA ASN A 107 50.714 -9.736 -1.221 1.00 0.00 C ATOM 264 C ASN A 107 50.683 -10.725 -0.058 1.00 0.00 C ATOM 265 O ASN A 107 50.499 -11.927 -0.250 1.00 0.00 O ATOM 266 CB ASN A 107 52.047 -9.890 -1.970 1.00 0.00 C ATOM 267 CG ASN A 107 52.917 -8.650 -1.767 1.00 0.00 C ATOM 268 OD1 ASN A 107 53.164 -7.897 -2.709 1.00 0.00 O ATOM 269 ND2 ASN A 107 53.402 -8.393 -0.584 1.00 0.00 N ATOM 0 H ASN A 107 51.277 -8.048 -0.104 1.00 0.00 H new ATOM 0 HA ASN A 107 49.894 -9.946 -1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 107 52.573 -10.774 -1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 107 51.859 -10.040 -3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 107 53.198 -9.016 0.197 1.00 0.00 H new ATOM 276 N ALA A 108 50.864 -10.203 1.153 1.00 0.00 N ATOM 277 CA ALA A 108 50.854 -11.046 2.346 1.00 0.00 C ATOM 278 C ALA A 108 52.111 -11.908 2.400 1.00 0.00 C ATOM 279 O ALA A 108 52.043 -13.116 2.630 1.00 0.00 O ATOM 280 CB ALA A 108 49.624 -11.956 2.351 1.00 0.00 C ATOM 0 H ALA A 108 51.018 -9.211 1.333 1.00 0.00 H new ATOM 0 HA ALA A 108 50.824 -10.393 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 108 49.634 -12.576 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.720 -11.346 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 108 49.640 -12.594 1.468 1.00 0.00 H new ATOM 286 N ASP A 109 53.262 -11.275 2.187 1.00 0.00 N ATOM 287 CA ASP A 109 54.532 -11.996 2.217 1.00 0.00 C ATOM 288 C ASP A 109 55.432 -11.450 3.322 1.00 0.00 C ATOM 289 O ASP A 109 56.388 -12.102 3.741 1.00 0.00 O ATOM 290 CB ASP A 109 55.254 -11.874 0.872 1.00 0.00 C ATOM 291 CG ASP A 109 55.572 -10.411 0.589 1.00 0.00 C ATOM 292 OD1 ASP A 109 55.030 -9.563 1.279 1.00 0.00 O ATOM 293 OD2 ASP A 109 56.355 -10.159 -0.312 1.00 0.00 O ATOM 0 H ASP A 109 53.342 -10.277 1.994 1.00 0.00 H new ATOM 0 HA ASP A 109 54.316 -13.046 2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 109 56.173 -12.459 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 109 54.631 -12.281 0.076 1.00 0.00 H new ATOM 298 N GLY A 110 55.114 -10.247 3.795 1.00 0.00 N ATOM 299 CA GLY A 110 55.899 -9.624 4.858 1.00 0.00 C ATOM 300 C GLY A 110 57.210 -9.060 4.316 1.00 0.00 C ATOM 301 O GLY A 110 58.043 -8.558 5.070 1.00 0.00 O ATOM 0 H GLY A 110 54.327 -9.689 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.320 -8.825 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.109 -10.358 5.636 1.00 0.00 H new ATOM 305 N TYR A 111 57.384 -9.147 3.001 1.00 0.00 N ATOM 306 CA TYR A 111 58.599 -8.640 2.370 1.00 0.00 C ATOM 307 C TYR A 111 58.253 -7.768 1.171 1.00 0.00 C ATOM 308 O TYR A 111 58.130 -8.255 0.047 1.00 0.00 O ATOM 309 CB TYR A 111 59.486 -9.793 1.900 1.00 0.00 C ATOM 310 CG TYR A 111 60.216 -10.379 3.082 1.00 0.00 C ATOM 311 CD1 TYR A 111 61.463 -9.867 3.456 1.00 0.00 C ATOM 312 CD2 TYR A 111 59.646 -11.434 3.803 1.00 0.00 C ATOM 313 CE1 TYR A 111 62.141 -10.410 4.553 1.00 0.00 C ATOM 314 CE2 TYR A 111 60.323 -11.977 4.900 1.00 0.00 C ATOM 315 CZ TYR A 111 61.571 -11.465 5.276 1.00 0.00 C ATOM 316 OH TYR A 111 62.240 -12.001 6.357 1.00 0.00 O ATOM 0 H TYR A 111 56.708 -9.559 2.357 1.00 0.00 H new ATOM 0 HA TYR A 111 59.135 -8.048 3.112 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.879 -10.559 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.200 -9.437 1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 111 61.902 -9.053 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 111 58.684 -11.829 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 111 63.104 -10.015 4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 111 59.883 -12.791 5.457 1.00 0.00 H new ATOM 0 HH TYR A 111 61.705 -12.724 6.747 1.00 0.00 H new ATOM 326 N ILE A 112 58.101 -6.471 1.417 1.00 0.00 N ATOM 327 CA ILE A 112 57.775 -5.547 0.339 1.00 0.00 C ATOM 328 C ILE A 112 58.847 -5.607 -0.737 1.00 0.00 C ATOM 329 O ILE A 112 60.043 -5.640 -0.448 1.00 0.00 O ATOM 330 CB ILE A 112 57.669 -4.114 0.860 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.414 -3.985 1.722 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.581 -3.137 -0.319 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.805 -3.469 3.105 1.00 0.00 C ATOM 0 H ILE A 112 58.196 -6.042 2.337 1.00 0.00 H new ATOM 0 HA ILE A 112 56.812 -5.842 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 112 58.552 -3.878 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.705 -3.303 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.917 -4.951 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.506 -2.117 0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.474 -3.230 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.700 -3.368 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 112 55.913 -3.375 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.498 -4.169 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.283 -2.494 3.008 1.00 0.00 H new ATOM 345 N ASP A 113 58.399 -5.615 -1.983 1.00 0.00 N ATOM 346 CA ASP A 113 59.320 -5.664 -3.113 1.00 0.00 C ATOM 347 C ASP A 113 59.048 -4.499 -4.053 1.00 0.00 C ATOM 348 O ASP A 113 58.311 -3.572 -3.718 1.00 0.00 O ATOM 349 CB ASP A 113 59.180 -6.980 -3.893 1.00 0.00 C ATOM 350 CG ASP A 113 57.898 -7.703 -3.487 1.00 0.00 C ATOM 351 OD1 ASP A 113 57.910 -8.354 -2.456 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.924 -7.595 -4.215 1.00 0.00 O ATOM 0 H ASP A 113 57.412 -5.588 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 113 60.334 -5.599 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 113 59.167 -6.776 -4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 113 60.042 -7.618 -3.700 1.00 0.00 H new ATOM 357 N LEU A 114 59.651 -4.552 -5.233 1.00 0.00 N ATOM 358 CA LEU A 114 59.462 -3.490 -6.212 1.00 0.00 C ATOM 359 C LEU A 114 58.082 -3.598 -6.851 1.00 0.00 C ATOM 360 O LEU A 114 57.555 -2.628 -7.394 1.00 0.00 O ATOM 361 CB LEU A 114 60.527 -3.570 -7.303 1.00 0.00 C ATOM 362 CG LEU A 114 61.702 -2.667 -6.930 1.00 0.00 C ATOM 363 CD1 LEU A 114 62.908 -3.020 -7.795 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.317 -1.205 -7.167 1.00 0.00 C ATOM 0 H LEU A 114 60.267 -5.308 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 114 59.549 -2.535 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 114 60.867 -4.599 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.107 -3.262 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 114 61.952 -2.812 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 114 63.747 -2.376 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 114 63.183 -4.062 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 114 62.657 -2.875 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 114 62.155 -0.560 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 114 61.067 -1.060 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.454 -0.951 -6.551 1.00 0.00 H new ATOM 376 N GLU A 115 57.503 -4.793 -6.779 1.00 0.00 N ATOM 377 CA GLU A 115 56.181 -5.023 -7.354 1.00 0.00 C ATOM 378 C GLU A 115 55.129 -4.200 -6.619 1.00 0.00 C ATOM 379 O GLU A 115 54.139 -3.762 -7.205 1.00 0.00 O ATOM 380 CB GLU A 115 55.806 -6.504 -7.263 1.00 0.00 C ATOM 381 CG GLU A 115 57.027 -7.363 -7.599 1.00 0.00 C ATOM 382 CD GLU A 115 56.567 -8.741 -8.061 1.00 0.00 C ATOM 383 OE1 GLU A 115 55.432 -9.090 -7.783 1.00 0.00 O ATOM 384 OE2 GLU A 115 57.358 -9.429 -8.686 1.00 0.00 O ATOM 0 H GLU A 115 57.922 -5.609 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 115 56.214 -4.721 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.448 -6.738 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.991 -6.726 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 115 57.618 -6.884 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 115 57.671 -7.457 -6.724 1.00 0.00 H new ATOM 391 N GLU A 116 55.354 -3.996 -5.324 1.00 0.00 N ATOM 392 CA GLU A 116 54.419 -3.225 -4.511 1.00 0.00 C ATOM 393 C GLU A 116 54.838 -1.760 -4.454 1.00 0.00 C ATOM 394 O GLU A 116 54.012 -0.873 -4.240 1.00 0.00 O ATOM 395 CB GLU A 116 54.365 -3.780 -3.087 1.00 0.00 C ATOM 396 CG GLU A 116 54.094 -5.285 -3.136 1.00 0.00 C ATOM 397 CD GLU A 116 54.858 -5.976 -2.012 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.556 -5.703 -0.862 1.00 0.00 O ATOM 399 OE2 GLU A 116 55.734 -6.769 -2.318 1.00 0.00 O ATOM 0 H GLU A 116 56.167 -4.350 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 116 53.434 -3.303 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.307 -3.586 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.583 -3.277 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.026 -5.476 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.401 -5.689 -4.101 1.00 0.00 H new ATOM 406 N LEU A 117 56.131 -1.516 -4.644 1.00 0.00 N ATOM 407 CA LEU A 117 56.646 -0.151 -4.609 1.00 0.00 C ATOM 408 C LEU A 117 56.187 0.622 -5.841 1.00 0.00 C ATOM 409 O LEU A 117 55.597 1.696 -5.732 1.00 0.00 O ATOM 410 CB LEU A 117 58.175 -0.150 -4.552 1.00 0.00 C ATOM 411 CG LEU A 117 58.625 0.339 -3.174 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.103 -0.851 -2.340 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.770 1.343 -3.333 1.00 0.00 C ATOM 0 H LEU A 117 56.833 -2.234 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 117 56.256 0.332 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.559 -1.153 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.580 0.496 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 117 57.787 0.822 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.424 -0.502 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.287 -1.564 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 117 59.939 -1.336 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.089 1.690 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.608 0.862 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.429 2.193 -3.925 1.00 0.00 H new ATOM 425 N LYS A 118 56.459 0.061 -7.016 1.00 0.00 N ATOM 426 CA LYS A 118 56.060 0.708 -8.263 1.00 0.00 C ATOM 427 C LYS A 118 54.642 1.253 -8.142 1.00 0.00 C ATOM 428 O LYS A 118 54.320 2.315 -8.676 1.00 0.00 O ATOM 429 CB LYS A 118 56.106 -0.285 -9.425 1.00 0.00 C ATOM 430 CG LYS A 118 57.540 -0.772 -9.637 1.00 0.00 C ATOM 431 CD LYS A 118 57.526 -2.005 -10.543 1.00 0.00 C ATOM 432 CE LYS A 118 58.955 -2.504 -10.752 1.00 0.00 C ATOM 433 NZ LYS A 118 59.476 -1.985 -12.049 1.00 0.00 N ATOM 0 H LYS A 118 56.947 -0.827 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 118 56.757 1.524 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.452 -1.132 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 118 55.735 0.188 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 118 58.142 0.018 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.999 -1.016 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.918 -2.791 -10.095 1.00 0.00 H new ATOM 0 HD3 LYS A 118 57.072 -1.758 -11.503 1.00 0.00 H new ATOM 0 HE2 LYS A 118 59.592 -2.171 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.975 -3.594 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 60.449 -2.324 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 58.873 -2.324 -12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 59.470 -0.945 -12.034 1.00 0.00 H new ATOM 447 N ILE A 119 53.796 0.508 -7.437 1.00 0.00 N ATOM 448 CA ILE A 119 52.407 0.915 -7.250 1.00 0.00 C ATOM 449 C ILE A 119 52.315 2.084 -6.271 1.00 0.00 C ATOM 450 O ILE A 119 51.579 3.044 -6.497 1.00 0.00 O ATOM 451 CB ILE A 119 51.576 -0.258 -6.720 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.368 -1.278 -7.842 1.00 0.00 C ATOM 453 CG2 ILE A 119 50.214 0.248 -6.237 1.00 0.00 C ATOM 454 CD1 ILE A 119 51.489 -2.693 -7.276 1.00 0.00 C ATOM 0 H ILE A 119 54.045 -0.374 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 119 52.014 1.229 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 119 52.102 -0.726 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 119 50.387 -1.140 -8.296 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.107 -1.125 -8.628 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.627 -0.590 -5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 119 50.359 0.977 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.686 0.718 -7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.341 -3.419 -8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 119 52.480 -2.828 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 119 50.733 -2.843 -6.506 1.00 0.00 H new ATOM 466 N MET A 120 53.066 1.990 -5.177 1.00 0.00 N ATOM 467 CA MET A 120 53.057 3.045 -4.167 1.00 0.00 C ATOM 468 C MET A 120 53.852 4.260 -4.641 1.00 0.00 C ATOM 469 O MET A 120 53.944 5.268 -3.941 1.00 0.00 O ATOM 470 CB MET A 120 53.656 2.534 -2.855 1.00 0.00 C ATOM 471 CG MET A 120 52.649 2.738 -1.721 1.00 0.00 C ATOM 472 SD MET A 120 52.583 1.246 -0.697 1.00 0.00 S ATOM 473 CE MET A 120 50.861 1.405 -0.164 1.00 0.00 C ATOM 0 H MET A 120 53.682 1.204 -4.968 1.00 0.00 H new ATOM 0 HA MET A 120 52.020 3.340 -4.004 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.909 1.478 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.582 3.066 -2.634 1.00 0.00 H new ATOM 0 HG2 MET A 120 52.938 3.596 -1.114 1.00 0.00 H new ATOM 0 HG3 MET A 120 51.663 2.955 -2.131 1.00 0.00 H new ATOM 0 HE1 MET A 120 50.778 1.125 0.886 1.00 0.00 H new ATOM 0 HE2 MET A 120 50.534 2.437 -0.292 1.00 0.00 H new ATOM 0 HE3 MET A 120 50.232 0.748 -0.765 1.00 0.00 H new ATOM 483 N LEU A 121 54.421 4.156 -5.839 1.00 0.00 N ATOM 484 CA LEU A 121 55.199 5.256 -6.399 1.00 0.00 C ATOM 485 C LEU A 121 54.528 5.780 -7.664 1.00 0.00 C ATOM 486 O LEU A 121 53.975 6.880 -7.683 1.00 0.00 O ATOM 487 CB LEU A 121 56.615 4.790 -6.743 1.00 0.00 C ATOM 488 CG LEU A 121 57.277 4.192 -5.501 1.00 0.00 C ATOM 489 CD1 LEU A 121 58.647 3.620 -5.877 1.00 0.00 C ATOM 490 CD2 LEU A 121 57.455 5.281 -4.440 1.00 0.00 C ATOM 0 H LEU A 121 54.359 3.330 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 121 55.252 6.050 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 121 56.580 4.048 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 121 57.205 5.629 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 121 56.647 3.397 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 121 59.119 3.194 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 121 58.522 2.843 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 121 59.276 4.415 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 121 57.927 4.853 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 121 58.084 6.077 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 121 56.481 5.689 -4.170 1.00 0.00 H new ATOM 502 N GLN A 122 54.585 4.976 -8.722 1.00 0.00 N ATOM 503 CA GLN A 122 53.984 5.356 -9.997 1.00 0.00 C ATOM 504 C GLN A 122 52.549 4.849 -10.095 1.00 0.00 C ATOM 505 O GLN A 122 52.167 4.214 -11.077 1.00 0.00 O ATOM 506 CB GLN A 122 54.790 4.776 -11.158 1.00 0.00 C ATOM 507 CG GLN A 122 56.250 5.214 -11.037 1.00 0.00 C ATOM 508 CD GLN A 122 56.533 6.321 -12.045 1.00 0.00 C ATOM 509 OE1 GLN A 122 55.957 6.341 -13.133 1.00 0.00 O ATOM 510 NE2 GLN A 122 57.394 7.256 -11.746 1.00 0.00 N ATOM 0 H GLN A 122 55.038 4.062 -8.722 1.00 0.00 H new ATOM 0 HA GLN A 122 53.986 6.445 -10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 122 54.724 3.688 -11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 122 54.375 5.115 -12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 122 56.452 5.568 -10.026 1.00 0.00 H new ATOM 0 HG3 GLN A 122 56.911 4.366 -11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 122 57.872 7.240 -10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 122 57.589 8.002 -12.414 1.00 0.00 H new ATOM 519 N ALA A 123 51.756 5.141 -9.068 1.00 0.00 N ATOM 520 CA ALA A 123 50.361 4.711 -9.054 1.00 0.00 C ATOM 521 C ALA A 123 49.593 5.435 -7.955 1.00 0.00 C ATOM 522 O ALA A 123 48.432 5.806 -8.130 1.00 0.00 O ATOM 523 CB ALA A 123 50.266 3.204 -8.820 1.00 0.00 C ATOM 0 H ALA A 123 52.050 5.667 -8.245 1.00 0.00 H new ATOM 0 HA ALA A 123 49.925 4.954 -10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 123 49.219 2.902 -8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 123 50.790 2.678 -9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 123 50.722 2.955 -7.862 1.00 0.00 H new ATOM 529 N THR A 124 50.257 5.636 -6.821 1.00 0.00 N ATOM 530 CA THR A 124 49.629 6.324 -5.696 1.00 0.00 C ATOM 531 C THR A 124 50.075 7.782 -5.656 1.00 0.00 C ATOM 532 O THR A 124 50.050 8.428 -4.609 1.00 0.00 O ATOM 533 CB THR A 124 50.001 5.646 -4.375 1.00 0.00 C ATOM 534 OG1 THR A 124 49.158 6.133 -3.340 1.00 0.00 O ATOM 535 CG2 THR A 124 51.460 5.952 -4.033 1.00 0.00 C ATOM 0 H THR A 124 51.218 5.337 -6.656 1.00 0.00 H new ATOM 0 HA THR A 124 48.548 6.277 -5.829 1.00 0.00 H new ATOM 0 HB THR A 124 49.872 4.568 -4.472 1.00 0.00 H new ATOM 0 HG1 THR A 124 49.198 7.112 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 124 51.722 5.468 -3.092 1.00 0.00 H new ATOM 0 HG22 THR A 124 52.106 5.577 -4.827 1.00 0.00 H new ATOM 0 HG23 THR A 124 51.593 7.030 -3.936 1.00 0.00 H new ATOM 543 N GLY A 125 50.484 8.290 -6.815 1.00 0.00 N ATOM 544 CA GLY A 125 50.940 9.674 -6.917 1.00 0.00 C ATOM 545 C GLY A 125 51.863 9.843 -8.118 1.00 0.00 C ATOM 546 O GLY A 125 51.898 10.896 -8.754 1.00 0.00 O ATOM 0 H GLY A 125 50.509 7.769 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 125 50.082 10.340 -7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 125 51.464 9.959 -6.005 1.00 0.00 H new ATOM 550 N GLU A 126 52.608 8.785 -8.420 1.00 0.00 N ATOM 551 CA GLU A 126 53.536 8.804 -9.550 1.00 0.00 C ATOM 552 C GLU A 126 54.189 10.174 -9.688 1.00 0.00 C ATOM 553 O GLU A 126 54.475 10.633 -10.793 1.00 0.00 O ATOM 554 CB GLU A 126 52.822 8.455 -10.864 1.00 0.00 C ATOM 555 CG GLU A 126 51.427 7.888 -10.577 1.00 0.00 C ATOM 556 CD GLU A 126 50.415 9.027 -10.525 1.00 0.00 C ATOM 557 OE1 GLU A 126 50.479 9.889 -11.386 1.00 0.00 O ATOM 558 OE2 GLU A 126 49.591 9.022 -9.625 1.00 0.00 O ATOM 0 H GLU A 126 52.589 7.906 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 126 54.301 8.053 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 126 52.739 9.345 -11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 126 53.410 7.727 -11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 126 51.147 7.174 -11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 126 51.430 7.347 -9.631 1.00 0.00 H new ATOM 565 N THR A 127 54.433 10.814 -8.550 1.00 0.00 N ATOM 566 CA THR A 127 55.069 12.127 -8.550 1.00 0.00 C ATOM 567 C THR A 127 56.551 11.982 -8.229 1.00 0.00 C ATOM 568 O THR A 127 57.170 12.877 -7.654 1.00 0.00 O ATOM 569 CB THR A 127 54.420 13.043 -7.510 1.00 0.00 C ATOM 570 OG1 THR A 127 53.014 12.842 -7.514 1.00 0.00 O ATOM 571 CG2 THR A 127 54.731 14.501 -7.851 1.00 0.00 C ATOM 0 H THR A 127 54.203 10.451 -7.625 1.00 0.00 H new ATOM 0 HA THR A 127 54.944 12.568 -9.539 1.00 0.00 H new ATOM 0 HB THR A 127 54.816 12.810 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 127 52.762 12.312 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 127 54.269 15.154 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 127 55.810 14.653 -7.846 1.00 0.00 H new ATOM 0 HG23 THR A 127 54.336 14.736 -8.839 1.00 0.00 H new ATOM 579 N ILE A 128 57.110 10.834 -8.604 1.00 0.00 N ATOM 580 CA ILE A 128 58.522 10.568 -8.348 1.00 0.00 C ATOM 581 C ILE A 128 59.273 10.328 -9.658 1.00 0.00 C ATOM 582 O ILE A 128 59.738 11.271 -10.299 1.00 0.00 O ATOM 583 CB ILE A 128 58.673 9.347 -7.437 1.00 0.00 C ATOM 584 CG1 ILE A 128 58.056 9.658 -6.071 1.00 0.00 C ATOM 585 CG2 ILE A 128 60.156 9.020 -7.261 1.00 0.00 C ATOM 586 CD1 ILE A 128 57.786 8.351 -5.325 1.00 0.00 C ATOM 0 H ILE A 128 56.613 10.081 -9.081 1.00 0.00 H new ATOM 0 HA ILE A 128 58.949 11.441 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 128 58.165 8.493 -7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 128 58.730 10.288 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 128 57.128 10.216 -6.197 1.00 0.00 H new ATOM 0 HG21 ILE A 128 60.262 8.151 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 128 60.599 8.804 -8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 128 60.666 9.872 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 128 57.347 8.571 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.096 7.737 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.723 7.811 -5.186 1.00 0.00 H new ATOM 598 N THR A 129 59.388 9.061 -10.053 1.00 0.00 N ATOM 599 CA THR A 129 60.088 8.723 -11.290 1.00 0.00 C ATOM 600 C THR A 129 60.423 7.236 -11.327 1.00 0.00 C ATOM 601 O THR A 129 60.213 6.511 -10.354 1.00 0.00 O ATOM 602 CB THR A 129 61.385 9.525 -11.410 1.00 0.00 C ATOM 603 OG1 THR A 129 62.228 8.910 -12.375 1.00 0.00 O ATOM 604 CG2 THR A 129 62.094 9.558 -10.056 1.00 0.00 C ATOM 0 H THR A 129 59.011 8.262 -9.543 1.00 0.00 H new ATOM 0 HA THR A 129 59.429 8.969 -12.123 1.00 0.00 H new ATOM 0 HB THR A 129 61.157 10.545 -11.721 1.00 0.00 H new ATOM 0 HG1 THR A 129 63.166 9.084 -12.149 1.00 0.00 H new ATOM 0 HG21 THR A 129 63.018 10.130 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 129 61.445 10.027 -9.317 1.00 0.00 H new ATOM 0 HG23 THR A 129 62.325 8.540 -9.742 1.00 0.00 H new ATOM 612 N GLU A 130 60.950 6.790 -12.464 1.00 0.00 N ATOM 613 CA GLU A 130 61.315 5.385 -12.624 1.00 0.00 C ATOM 614 C GLU A 130 62.636 5.096 -11.919 1.00 0.00 C ATOM 615 O GLU A 130 62.860 3.995 -11.415 1.00 0.00 O ATOM 616 CB GLU A 130 61.449 5.031 -14.107 1.00 0.00 C ATOM 617 CG GLU A 130 60.737 3.705 -14.381 1.00 0.00 C ATOM 618 CD GLU A 130 59.264 3.833 -14.005 1.00 0.00 C ATOM 619 OE1 GLU A 130 58.622 4.741 -14.507 1.00 0.00 O ATOM 620 OE2 GLU A 130 58.800 3.021 -13.221 1.00 0.00 O ATOM 0 H GLU A 130 61.133 7.374 -13.280 1.00 0.00 H new ATOM 0 HA GLU A 130 60.526 4.778 -12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 130 61.017 5.821 -14.721 1.00 0.00 H new ATOM 0 HB3 GLU A 130 62.501 4.954 -14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 130 60.833 3.439 -15.434 1.00 0.00 H new ATOM 0 HG3 GLU A 130 61.202 2.904 -13.806 1.00 0.00 H new ATOM 627 N ASP A 131 63.509 6.099 -11.886 1.00 0.00 N ATOM 628 CA ASP A 131 64.806 5.944 -11.235 1.00 0.00 C ATOM 629 C ASP A 131 64.617 5.598 -9.762 1.00 0.00 C ATOM 630 O ASP A 131 65.256 4.688 -9.235 1.00 0.00 O ATOM 631 CB ASP A 131 65.621 7.233 -11.346 1.00 0.00 C ATOM 632 CG ASP A 131 65.761 7.625 -12.813 1.00 0.00 C ATOM 633 OD1 ASP A 131 66.581 7.027 -13.490 1.00 0.00 O ATOM 634 OD2 ASP A 131 65.046 8.518 -13.238 1.00 0.00 O ATOM 0 H ASP A 131 63.345 7.018 -12.297 1.00 0.00 H new ATOM 0 HA ASP A 131 65.342 5.137 -11.735 1.00 0.00 H new ATOM 0 HB2 ASP A 131 65.132 8.033 -10.790 1.00 0.00 H new ATOM 0 HB3 ASP A 131 66.606 7.092 -10.901 1.00 0.00 H new ATOM 639 N ASP A 132 63.724 6.334 -9.105 1.00 0.00 N ATOM 640 CA ASP A 132 63.446 6.097 -7.691 1.00 0.00 C ATOM 641 C ASP A 132 63.048 4.643 -7.470 1.00 0.00 C ATOM 642 O ASP A 132 63.320 4.061 -6.420 1.00 0.00 O ATOM 643 CB ASP A 132 62.314 7.005 -7.208 1.00 0.00 C ATOM 644 CG ASP A 132 62.873 8.387 -6.886 1.00 0.00 C ATOM 645 OD1 ASP A 132 63.415 9.009 -7.784 1.00 0.00 O ATOM 646 OD2 ASP A 132 62.751 8.802 -5.745 1.00 0.00 O ATOM 0 H ASP A 132 63.185 7.092 -9.524 1.00 0.00 H new ATOM 0 HA ASP A 132 64.351 6.318 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 132 61.543 7.082 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 132 61.842 6.577 -6.324 1.00 0.00 H new ATOM 651 N ILE A 133 62.401 4.064 -8.475 1.00 0.00 N ATOM 652 CA ILE A 133 61.968 2.673 -8.387 1.00 0.00 C ATOM 653 C ILE A 133 63.157 1.764 -8.093 1.00 0.00 C ATOM 654 O ILE A 133 63.156 1.009 -7.120 1.00 0.00 O ATOM 655 CB ILE A 133 61.321 2.229 -9.700 1.00 0.00 C ATOM 656 CG1 ILE A 133 60.196 3.198 -10.070 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.746 0.822 -9.535 1.00 0.00 C ATOM 658 CD1 ILE A 133 59.130 3.186 -8.973 1.00 0.00 C ATOM 0 H ILE A 133 62.166 4.529 -9.352 1.00 0.00 H new ATOM 0 HA ILE A 133 61.241 2.599 -7.579 1.00 0.00 H new ATOM 0 HB ILE A 133 62.072 2.225 -10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 133 60.595 4.205 -10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.754 2.911 -11.024 1.00 0.00 H new ATOM 0 HG21 ILE A 133 60.285 0.505 -10.471 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.546 0.130 -9.273 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.996 0.826 -8.744 1.00 0.00 H new ATOM 0 HD11 ILE A 133 58.329 3.876 -9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 133 58.723 2.180 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 133 59.577 3.493 -8.028 1.00 0.00 H new ATOM 670 N GLU A 134 64.169 1.839 -8.953 1.00 0.00 N ATOM 671 CA GLU A 134 65.362 1.013 -8.789 1.00 0.00 C ATOM 672 C GLU A 134 66.293 1.598 -7.729 1.00 0.00 C ATOM 673 O GLU A 134 67.051 0.874 -7.083 1.00 0.00 O ATOM 674 CB GLU A 134 66.121 0.905 -10.112 1.00 0.00 C ATOM 675 CG GLU A 134 65.582 -0.282 -10.913 1.00 0.00 C ATOM 676 CD GLU A 134 66.454 -0.507 -12.143 1.00 0.00 C ATOM 677 OE1 GLU A 134 66.302 0.238 -13.097 1.00 0.00 O ATOM 678 OE2 GLU A 134 67.261 -1.422 -12.114 1.00 0.00 O ATOM 0 H GLU A 134 64.188 2.457 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 134 65.036 0.023 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 134 66.008 1.825 -10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 134 67.187 0.776 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 134 65.573 -1.178 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 134 64.552 -0.092 -11.215 1.00 0.00 H new ATOM 685 N GLU A 135 66.235 2.917 -7.559 1.00 0.00 N ATOM 686 CA GLU A 135 67.086 3.583 -6.576 1.00 0.00 C ATOM 687 C GLU A 135 66.525 3.404 -5.169 1.00 0.00 C ATOM 688 O GLU A 135 67.195 2.877 -4.280 1.00 0.00 O ATOM 689 CB GLU A 135 67.194 5.078 -6.882 1.00 0.00 C ATOM 690 CG GLU A 135 68.602 5.567 -6.538 1.00 0.00 C ATOM 691 CD GLU A 135 69.007 6.679 -7.499 1.00 0.00 C ATOM 692 OE1 GLU A 135 69.001 6.434 -8.694 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.318 7.760 -7.026 1.00 0.00 O ATOM 0 H GLU A 135 65.617 3.538 -8.081 1.00 0.00 H new ATOM 0 HA GLU A 135 68.075 3.129 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.981 5.261 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 135 66.454 5.633 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 135 68.630 5.932 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 135 69.310 4.741 -6.602 1.00 0.00 H new ATOM 700 N LEU A 136 65.286 3.848 -4.975 1.00 0.00 N ATOM 701 CA LEU A 136 64.643 3.733 -3.669 1.00 0.00 C ATOM 702 C LEU A 136 64.887 2.349 -3.077 1.00 0.00 C ATOM 703 O LEU A 136 65.392 2.214 -1.963 1.00 0.00 O ATOM 704 CB LEU A 136 63.135 3.961 -3.792 1.00 0.00 C ATOM 705 CG LEU A 136 62.559 4.317 -2.421 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.578 5.481 -2.570 1.00 0.00 C ATOM 707 CD2 LEU A 136 61.827 3.102 -1.842 1.00 0.00 C ATOM 0 H LEU A 136 64.713 4.286 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 136 65.073 4.491 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.935 4.764 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.651 3.064 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 136 63.368 4.606 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 136 61.166 5.737 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 136 62.099 6.345 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.769 5.191 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 136 61.417 3.356 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.017 2.812 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 136 62.526 2.272 -1.737 1.00 0.00 H new ATOM 719 N MET A 137 64.519 1.322 -3.838 1.00 0.00 N ATOM 720 CA MET A 137 64.700 -0.054 -3.383 1.00 0.00 C ATOM 721 C MET A 137 66.098 -0.246 -2.802 1.00 0.00 C ATOM 722 O MET A 137 66.257 -0.592 -1.631 1.00 0.00 O ATOM 723 CB MET A 137 64.501 -1.031 -4.544 1.00 0.00 C ATOM 724 CG MET A 137 63.956 -2.357 -4.009 1.00 0.00 C ATOM 725 SD MET A 137 62.314 -2.091 -3.295 1.00 0.00 S ATOM 726 CE MET A 137 61.879 -3.834 -3.072 1.00 0.00 C ATOM 0 H MET A 137 64.098 1.414 -4.763 1.00 0.00 H new ATOM 0 HA MET A 137 63.958 -0.253 -2.610 1.00 0.00 H new ATOM 0 HB2 MET A 137 63.809 -0.609 -5.273 1.00 0.00 H new ATOM 0 HB3 MET A 137 65.447 -1.196 -5.060 1.00 0.00 H new ATOM 0 HG2 MET A 137 63.900 -3.090 -4.813 1.00 0.00 H new ATOM 0 HG3 MET A 137 64.631 -2.762 -3.255 1.00 0.00 H new ATOM 0 HE1 MET A 137 60.931 -3.907 -2.538 1.00 0.00 H new ATOM 0 HE2 MET A 137 61.785 -4.313 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 137 62.659 -4.333 -2.497 1.00 0.00 H new ATOM 736 N LYS A 138 67.109 -0.016 -3.634 1.00 0.00 N ATOM 737 CA LYS A 138 68.495 -0.166 -3.195 1.00 0.00 C ATOM 738 C LYS A 138 68.701 0.506 -1.840 1.00 0.00 C ATOM 739 O LYS A 138 68.984 -0.153 -0.840 1.00 0.00 O ATOM 740 CB LYS A 138 69.449 0.463 -4.213 1.00 0.00 C ATOM 741 CG LYS A 138 70.444 -0.592 -4.704 1.00 0.00 C ATOM 742 CD LYS A 138 70.639 -0.442 -6.215 1.00 0.00 C ATOM 743 CE LYS A 138 71.528 -1.574 -6.733 1.00 0.00 C ATOM 744 NZ LYS A 138 71.533 -1.556 -8.224 1.00 0.00 N ATOM 0 H LYS A 138 66.999 0.272 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 138 68.707 -1.232 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.885 0.865 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 138 69.983 1.298 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 138 71.398 -0.476 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 138 70.076 -1.591 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 138 69.673 -0.464 -6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 138 71.094 0.523 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 138 72.543 -1.457 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 138 71.161 -2.534 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 72.137 -2.325 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 70.563 -1.687 -8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 71.902 -0.643 -8.559 1.00 0.00 H new ATOM 758 N ASP A 139 68.558 1.829 -1.822 1.00 0.00 N ATOM 759 CA ASP A 139 68.732 2.593 -0.587 1.00 0.00 C ATOM 760 C ASP A 139 67.857 2.027 0.528 1.00 0.00 C ATOM 761 O ASP A 139 68.278 1.938 1.681 1.00 0.00 O ATOM 762 CB ASP A 139 68.362 4.061 -0.809 1.00 0.00 C ATOM 763 CG ASP A 139 68.744 4.875 0.423 1.00 0.00 C ATOM 764 OD1 ASP A 139 68.514 4.395 1.521 1.00 0.00 O ATOM 765 OD2 ASP A 139 69.261 5.966 0.250 1.00 0.00 O ATOM 0 H ASP A 139 68.324 2.391 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 139 69.780 2.519 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 139 68.878 4.448 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 139 67.293 4.152 -1.001 1.00 0.00 H new ATOM 770 N GLY A 140 66.631 1.653 0.173 1.00 0.00 N ATOM 771 CA GLY A 140 65.699 1.103 1.154 1.00 0.00 C ATOM 772 C GLY A 140 65.960 -0.381 1.392 1.00 0.00 C ATOM 773 O GLY A 140 65.281 -1.022 2.193 1.00 0.00 O ATOM 0 H GLY A 140 66.262 1.719 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 140 65.794 1.647 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.676 1.244 0.806 1.00 0.00 H new ATOM 777 N ASP A 141 66.951 -0.924 0.688 1.00 0.00 N ATOM 778 CA ASP A 141 67.288 -2.338 0.834 1.00 0.00 C ATOM 779 C ASP A 141 68.747 -2.503 1.245 1.00 0.00 C ATOM 780 O ASP A 141 69.527 -3.167 0.562 1.00 0.00 O ATOM 781 CB ASP A 141 67.055 -3.084 -0.480 1.00 0.00 C ATOM 782 CG ASP A 141 67.426 -4.552 -0.305 1.00 0.00 C ATOM 783 OD1 ASP A 141 67.619 -4.964 0.827 1.00 0.00 O ATOM 784 OD2 ASP A 141 67.514 -5.244 -1.306 1.00 0.00 O ATOM 0 H ASP A 141 67.528 -0.414 0.019 1.00 0.00 H new ATOM 0 HA ASP A 141 66.644 -2.755 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.011 -2.995 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 141 67.654 -2.639 -1.274 1.00 0.00 H new ATOM 789 N LYS A 142 69.106 -1.894 2.370 1.00 0.00 N ATOM 790 CA LYS A 142 70.475 -1.982 2.868 1.00 0.00 C ATOM 791 C LYS A 142 70.905 -3.441 2.981 1.00 0.00 C ATOM 792 O LYS A 142 72.047 -3.793 2.686 1.00 0.00 O ATOM 793 CB LYS A 142 70.588 -1.321 4.243 1.00 0.00 C ATOM 794 CG LYS A 142 71.935 -0.603 4.355 1.00 0.00 C ATOM 795 CD LYS A 142 72.640 -1.039 5.641 1.00 0.00 C ATOM 796 CE LYS A 142 73.610 -2.179 5.329 1.00 0.00 C ATOM 797 NZ LYS A 142 75.004 -1.734 5.613 1.00 0.00 N ATOM 0 H LYS A 142 68.476 -1.339 2.950 1.00 0.00 H new ATOM 0 HA LYS A 142 71.125 -1.464 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.773 -0.612 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 142 70.498 -2.072 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 142 72.556 -0.836 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 142 71.785 0.477 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 142 73.179 -0.197 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 142 71.906 -1.363 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 142 73.366 -3.054 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 142 73.517 -2.475 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 75.665 -2.508 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 75.233 -0.911 5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 75.087 -1.472 6.616 1.00 0.00 H new ATOM 811 N ASN A 143 69.971 -4.287 3.409 1.00 0.00 N ATOM 812 CA ASN A 143 70.257 -5.711 3.558 1.00 0.00 C ATOM 813 C ASN A 143 70.890 -6.261 2.285 1.00 0.00 C ATOM 814 O ASN A 143 71.911 -6.948 2.328 1.00 0.00 O ATOM 815 CB ASN A 143 68.970 -6.487 3.851 1.00 0.00 C ATOM 816 CG ASN A 143 68.510 -6.192 5.275 1.00 0.00 C ATOM 817 OD1 ASN A 143 67.241 -5.999 5.511 1.00 0.00 O flip ATOM 818 ND2 ASN A 143 69.323 -6.135 6.197 1.00 0.00 N flip ATOM 0 H ASN A 143 69.020 -4.015 3.656 1.00 0.00 H new ATOM 0 HA ASN A 143 70.950 -5.831 4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 143 68.193 -6.204 3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 143 69.141 -7.556 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 143 70.315 -6.286 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 143 69.005 -5.937 7.146 1.00 0.00 H new ATOM 825 N ASN A 144 70.272 -5.949 1.149 1.00 0.00 N ATOM 826 CA ASN A 144 70.783 -6.415 -0.138 1.00 0.00 C ATOM 827 C ASN A 144 70.318 -7.841 -0.413 1.00 0.00 C ATOM 828 O ASN A 144 71.128 -8.749 -0.598 1.00 0.00 O ATOM 829 CB ASN A 144 72.312 -6.380 -0.149 1.00 0.00 C ATOM 830 CG ASN A 144 72.809 -6.249 -1.585 1.00 0.00 C ATOM 831 OD1 ASN A 144 72.593 -7.139 -2.406 1.00 0.00 O ATOM 832 ND2 ASN A 144 73.471 -5.181 -1.939 1.00 0.00 N ATOM 0 H ASN A 144 69.426 -5.382 1.092 1.00 0.00 H new ATOM 0 HA ASN A 144 70.398 -5.752 -0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.671 -5.542 0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.710 -7.288 0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 144 73.809 -5.085 -2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 144 73.650 -4.443 -1.258 1.00 0.00 H new ATOM 839 N ASP A 145 69.001 -8.028 -0.436 1.00 0.00 N ATOM 840 CA ASP A 145 68.435 -9.351 -0.688 1.00 0.00 C ATOM 841 C ASP A 145 67.568 -9.335 -1.944 1.00 0.00 C ATOM 842 O ASP A 145 67.372 -10.362 -2.593 1.00 0.00 O ATOM 843 CB ASP A 145 67.581 -9.802 0.498 1.00 0.00 C ATOM 844 CG ASP A 145 66.530 -8.739 0.801 1.00 0.00 C ATOM 845 OD1 ASP A 145 66.640 -7.654 0.255 1.00 0.00 O ATOM 846 OD2 ASP A 145 65.632 -9.026 1.574 1.00 0.00 O ATOM 0 H ASP A 145 68.313 -7.291 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 145 69.262 -10.047 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.098 -10.752 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 145 68.211 -9.965 1.372 1.00 0.00 H new ATOM 851 N GLY A 146 67.049 -8.156 -2.278 1.00 0.00 N ATOM 852 CA GLY A 146 66.201 -8.015 -3.459 1.00 0.00 C ATOM 853 C GLY A 146 64.774 -7.650 -3.059 1.00 0.00 C ATOM 854 O GLY A 146 63.848 -7.725 -3.866 1.00 0.00 O ATOM 0 H GLY A 146 67.198 -7.293 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 146 66.608 -7.246 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 146 66.198 -8.947 -4.024 1.00 0.00 H new ATOM 858 N ARG A 147 64.610 -7.255 -1.799 1.00 0.00 N ATOM 859 CA ARG A 147 63.293 -6.879 -1.289 1.00 0.00 C ATOM 860 C ARG A 147 63.441 -5.994 -0.053 1.00 0.00 C ATOM 861 O ARG A 147 64.528 -5.495 0.241 1.00 0.00 O ATOM 862 CB ARG A 147 62.474 -8.124 -0.922 1.00 0.00 C ATOM 863 CG ARG A 147 63.406 -9.311 -0.670 1.00 0.00 C ATOM 864 CD ARG A 147 62.577 -10.590 -0.565 1.00 0.00 C ATOM 865 NE ARG A 147 61.624 -10.673 -1.669 1.00 0.00 N ATOM 866 CZ ARG A 147 60.514 -11.400 -1.569 1.00 0.00 C ATOM 867 NH1 ARG A 147 60.262 -12.067 -0.475 1.00 0.00 N ATOM 868 NH2 ARG A 147 59.678 -11.449 -2.569 1.00 0.00 N ATOM 0 H ARG A 147 65.365 -7.187 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 147 62.772 -6.330 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.876 -7.926 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 147 61.779 -8.362 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 147 64.130 -9.398 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.973 -9.155 0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 147 63.235 -11.459 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 147 62.044 -10.608 0.386 1.00 0.00 H new ATOM 0 HE ARG A 147 61.813 -10.164 -2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 147 60.917 -12.032 0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 147 59.410 -12.623 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 147 59.876 -10.931 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 147 58.826 -12.006 -2.495 1.00 0.00 H new ATOM 882 N ILE A 148 62.339 -5.800 0.667 1.00 0.00 N ATOM 883 CA ILE A 148 62.366 -4.970 1.867 1.00 0.00 C ATOM 884 C ILE A 148 62.043 -5.806 3.102 1.00 0.00 C ATOM 885 O ILE A 148 61.231 -6.730 3.051 1.00 0.00 O ATOM 886 CB ILE A 148 61.346 -3.837 1.756 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.684 -2.965 0.544 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.391 -2.985 3.025 1.00 0.00 C ATOM 889 CD1 ILE A 148 63.024 -2.267 0.777 1.00 0.00 C ATOM 0 H ILE A 148 61.428 -6.200 0.444 1.00 0.00 H new ATOM 0 HA ILE A 148 63.368 -4.551 1.963 1.00 0.00 H new ATOM 0 HB ILE A 148 60.347 -4.257 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.733 -3.578 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.899 -2.225 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 148 60.664 -2.177 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 148 61.152 -3.606 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.389 -2.564 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 148 63.266 -1.646 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.959 -1.642 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.805 -3.015 0.915 1.00 0.00 H new ATOM 901 N ASP A 149 62.693 -5.469 4.213 1.00 0.00 N ATOM 902 CA ASP A 149 62.476 -6.191 5.463 1.00 0.00 C ATOM 903 C ASP A 149 61.887 -5.263 6.521 1.00 0.00 C ATOM 904 O ASP A 149 61.614 -4.091 6.257 1.00 0.00 O ATOM 905 CB ASP A 149 63.795 -6.765 5.984 1.00 0.00 C ATOM 906 CG ASP A 149 64.341 -7.777 4.983 1.00 0.00 C ATOM 907 OD1 ASP A 149 63.616 -8.121 4.063 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.475 -8.194 5.150 1.00 0.00 O ATOM 0 H ASP A 149 63.369 -4.707 4.273 1.00 0.00 H new ATOM 0 HA ASP A 149 61.778 -7.004 5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.517 -5.963 6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.639 -7.242 6.951 1.00 0.00 H new ATOM 913 N TYR A 150 61.696 -5.800 7.722 1.00 0.00 N ATOM 914 CA TYR A 150 61.140 -5.012 8.818 1.00 0.00 C ATOM 915 C TYR A 150 62.175 -4.016 9.333 1.00 0.00 C ATOM 916 O TYR A 150 61.865 -2.854 9.595 1.00 0.00 O ATOM 917 CB TYR A 150 60.704 -5.922 9.968 1.00 0.00 C ATOM 918 CG TYR A 150 59.724 -5.186 10.849 1.00 0.00 C ATOM 919 CD1 TYR A 150 60.191 -4.278 11.807 1.00 0.00 C ATOM 920 CD2 TYR A 150 58.350 -5.409 10.707 1.00 0.00 C ATOM 921 CE1 TYR A 150 59.283 -3.594 12.624 1.00 0.00 C ATOM 922 CE2 TYR A 150 57.441 -4.725 11.524 1.00 0.00 C ATOM 923 CZ TYR A 150 57.908 -3.817 12.482 1.00 0.00 C ATOM 924 OH TYR A 150 57.013 -3.143 13.288 1.00 0.00 O ATOM 0 H TYR A 150 61.915 -6.767 7.960 1.00 0.00 H new ATOM 0 HA TYR A 150 60.272 -4.472 8.439 1.00 0.00 H new ATOM 0 HB2 TYR A 150 60.245 -6.829 9.574 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.572 -6.231 10.550 1.00 0.00 H new ATOM 0 HD1 TYR A 150 61.252 -4.105 11.916 1.00 0.00 H new ATOM 0 HD2 TYR A 150 57.990 -6.109 9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 150 59.643 -2.894 13.364 1.00 0.00 H new ATOM 0 HE2 TYR A 150 56.380 -4.898 11.415 1.00 0.00 H new ATOM 0 HH TYR A 150 56.099 -3.413 13.059 1.00 0.00 H new ATOM 934 N ASP A 151 63.412 -4.487 9.472 1.00 0.00 N ATOM 935 CA ASP A 151 64.492 -3.630 9.954 1.00 0.00 C ATOM 936 C ASP A 151 64.657 -2.418 9.044 1.00 0.00 C ATOM 937 O ASP A 151 64.740 -1.281 9.509 1.00 0.00 O ATOM 938 CB ASP A 151 65.812 -4.405 9.999 1.00 0.00 C ATOM 939 CG ASP A 151 66.345 -4.420 11.428 1.00 0.00 C ATOM 940 OD1 ASP A 151 66.907 -3.419 11.840 1.00 0.00 O ATOM 941 OD2 ASP A 151 66.183 -5.432 12.090 1.00 0.00 O ATOM 0 H ASP A 151 63.689 -5.446 9.261 1.00 0.00 H new ATOM 0 HA ASP A 151 64.234 -3.296 10.959 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.659 -5.425 9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.540 -3.943 9.333 1.00 0.00 H new ATOM 946 N GLU A 152 64.701 -2.673 7.739 1.00 0.00 N ATOM 947 CA GLU A 152 64.854 -1.596 6.767 1.00 0.00 C ATOM 948 C GLU A 152 63.611 -0.715 6.750 1.00 0.00 C ATOM 949 O GLU A 152 63.696 0.502 6.579 1.00 0.00 O ATOM 950 CB GLU A 152 65.075 -2.172 5.369 1.00 0.00 C ATOM 951 CG GLU A 152 66.445 -2.846 5.304 1.00 0.00 C ATOM 952 CD GLU A 152 66.493 -3.778 4.100 1.00 0.00 C ATOM 953 OE1 GLU A 152 65.449 -4.008 3.512 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.572 -4.248 3.782 1.00 0.00 O ATOM 0 H GLU A 152 64.634 -3.607 7.334 1.00 0.00 H new ATOM 0 HA GLU A 152 65.718 -0.998 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.292 -2.893 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.013 -1.379 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.230 -2.093 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.630 -3.407 6.220 1.00 0.00 H new ATOM 961 N PHE A 153 62.455 -1.344 6.930 1.00 0.00 N ATOM 962 CA PHE A 153 61.192 -0.612 6.937 1.00 0.00 C ATOM 963 C PHE A 153 61.044 0.172 8.235 1.00 0.00 C ATOM 964 O PHE A 153 60.463 1.258 8.261 1.00 0.00 O ATOM 965 CB PHE A 153 60.013 -1.577 6.803 1.00 0.00 C ATOM 966 CG PHE A 153 58.743 -0.790 6.585 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.153 -0.104 7.653 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.157 -0.745 5.314 1.00 0.00 C ATOM 969 CE1 PHE A 153 56.975 0.627 7.451 1.00 0.00 C ATOM 970 CE2 PHE A 153 56.980 -0.014 5.112 1.00 0.00 C ATOM 971 CZ PHE A 153 56.389 0.672 6.181 1.00 0.00 C ATOM 0 H PHE A 153 62.365 -2.350 7.072 1.00 0.00 H new ATOM 0 HA PHE A 153 61.195 0.076 6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.179 -2.258 5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 153 59.925 -2.188 7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 153 58.606 -0.138 8.633 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.613 -1.274 4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 153 56.519 1.156 8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.528 0.021 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 153 55.481 1.236 6.025 1.00 0.00 H new ATOM 981 N LEU A 154 61.573 -0.397 9.314 1.00 0.00 N ATOM 982 CA LEU A 154 61.495 0.245 10.623 1.00 0.00 C ATOM 983 C LEU A 154 62.390 1.481 10.670 1.00 0.00 C ATOM 984 O LEU A 154 62.256 2.328 11.553 1.00 0.00 O ATOM 985 CB LEU A 154 61.930 -0.732 11.719 1.00 0.00 C ATOM 986 CG LEU A 154 61.128 -0.472 12.997 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.478 0.910 13.548 1.00 0.00 C ATOM 988 CD2 LEU A 154 59.630 -0.531 12.686 1.00 0.00 C ATOM 0 H LEU A 154 62.057 -1.295 9.309 1.00 0.00 H new ATOM 0 HA LEU A 154 60.461 0.545 10.791 1.00 0.00 H new ATOM 0 HB2 LEU A 154 61.776 -1.758 11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 154 62.996 -0.618 11.918 1.00 0.00 H new ATOM 0 HG LEU A 154 61.375 -1.233 13.738 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.907 1.094 14.458 1.00 0.00 H new ATOM 0 HD12 LEU A 154 62.544 0.953 13.774 1.00 0.00 H new ATOM 0 HD13 LEU A 154 61.234 1.670 12.806 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.062 -0.346 13.597 1.00 0.00 H new ATOM 0 HD22 LEU A 154 59.382 0.227 11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 154 59.378 -1.517 12.296 1.00 0.00 H new ATOM 1000 N GLU A 155 63.305 1.575 9.709 1.00 0.00 N ATOM 1001 CA GLU A 155 64.217 2.714 9.651 1.00 0.00 C ATOM 1002 C GLU A 155 63.677 3.785 8.709 1.00 0.00 C ATOM 1003 O GLU A 155 63.097 4.780 9.145 1.00 0.00 O ATOM 1004 CB GLU A 155 65.599 2.274 9.162 1.00 0.00 C ATOM 1005 CG GLU A 155 66.644 2.586 10.235 1.00 0.00 C ATOM 1006 CD GLU A 155 67.216 3.980 9.998 1.00 0.00 C ATOM 1007 OE1 GLU A 155 67.871 4.166 8.985 1.00 0.00 O ATOM 1008 OE2 GLU A 155 66.991 4.841 10.832 1.00 0.00 O ATOM 0 H GLU A 155 63.434 0.886 8.968 1.00 0.00 H new ATOM 0 HA GLU A 155 64.302 3.124 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 155 65.596 1.206 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 155 65.849 2.789 8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 155 66.192 2.530 11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.442 1.844 10.207 1.00 0.00 H new ATOM 1015 N PHE A 156 63.876 3.571 7.412 1.00 0.00 N ATOM 1016 CA PHE A 156 63.407 4.526 6.411 1.00 0.00 C ATOM 1017 C PHE A 156 61.971 4.947 6.708 1.00 0.00 C ATOM 1018 O PHE A 156 61.597 6.105 6.522 1.00 0.00 O ATOM 1019 CB PHE A 156 63.469 3.912 5.011 1.00 0.00 C ATOM 1020 CG PHE A 156 63.803 4.989 4.006 1.00 0.00 C ATOM 1021 CD1 PHE A 156 62.929 6.067 3.820 1.00 0.00 C ATOM 1022 CD2 PHE A 156 64.987 4.911 3.262 1.00 0.00 C ATOM 1023 CE1 PHE A 156 63.239 7.066 2.889 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.297 5.911 2.332 1.00 0.00 C ATOM 1025 CZ PHE A 156 64.423 6.988 2.145 1.00 0.00 C ATOM 0 H PHE A 156 64.354 2.754 7.031 1.00 0.00 H new ATOM 0 HA PHE A 156 64.057 5.400 6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.222 3.124 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 156 62.514 3.450 4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 156 62.016 6.128 4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 156 65.661 4.079 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 156 62.565 7.897 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 156 66.211 5.851 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 156 64.662 7.759 1.427 1.00 0.00 H new ATOM 1035 N MET A 157 61.170 3.993 7.175 1.00 0.00 N ATOM 1036 CA MET A 157 59.774 4.275 7.497 1.00 0.00 C ATOM 1037 C MET A 157 59.567 4.280 9.009 1.00 0.00 C ATOM 1038 O MET A 157 58.843 3.447 9.553 1.00 0.00 O ATOM 1039 CB MET A 157 58.856 3.222 6.872 1.00 0.00 C ATOM 1040 CG MET A 157 57.504 3.855 6.538 1.00 0.00 C ATOM 1041 SD MET A 157 57.290 3.907 4.742 1.00 0.00 S ATOM 1042 CE MET A 157 57.295 5.707 4.569 1.00 0.00 C ATOM 0 H MET A 157 61.459 3.028 7.338 1.00 0.00 H new ATOM 0 HA MET A 157 59.527 5.257 7.092 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.312 2.817 5.969 1.00 0.00 H new ATOM 0 HB3 MET A 157 58.719 2.389 7.561 1.00 0.00 H new ATOM 0 HG2 MET A 157 56.698 3.280 6.994 1.00 0.00 H new ATOM 0 HG3 MET A 157 57.450 4.862 6.951 1.00 0.00 H new ATOM 0 HE1 MET A 157 57.599 5.974 3.557 1.00 0.00 H new ATOM 0 HE2 MET A 157 56.294 6.094 4.762 1.00 0.00 H new ATOM 0 HE3 MET A 157 57.995 6.139 5.284 1.00 0.00 H new ATOM 1052 N LYS A 158 60.212 5.229 9.681 1.00 0.00 N ATOM 1053 CA LYS A 158 60.093 5.336 11.133 1.00 0.00 C ATOM 1054 C LYS A 158 58.787 6.027 11.513 1.00 0.00 C ATOM 1055 O LYS A 158 58.788 7.108 12.102 1.00 0.00 O ATOM 1056 CB LYS A 158 61.262 6.136 11.711 1.00 0.00 C ATOM 1057 CG LYS A 158 61.179 7.583 11.222 1.00 0.00 C ATOM 1058 CD LYS A 158 62.591 8.140 11.032 1.00 0.00 C ATOM 1059 CE LYS A 158 63.072 7.837 9.611 1.00 0.00 C ATOM 1060 NZ LYS A 158 63.003 9.078 8.789 1.00 0.00 N ATOM 0 H LYS A 158 60.816 5.928 9.250 1.00 0.00 H new ATOM 0 HA LYS A 158 60.105 4.326 11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.234 6.107 12.800 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.209 5.691 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 158 60.629 7.629 10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 158 60.631 8.190 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 158 62.596 9.216 11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 158 63.270 7.695 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 158 64.094 7.460 9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 158 62.454 7.057 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 63.330 8.873 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 62.021 9.419 8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 63.610 9.809 9.212 1.00 0.00 H new ATOM 1074 N GLY A 159 57.672 5.389 11.170 1.00 0.00 N ATOM 1075 CA GLY A 159 56.360 5.949 11.480 1.00 0.00 C ATOM 1076 C GLY A 159 56.092 7.194 10.643 1.00 0.00 C ATOM 1077 O GLY A 159 55.966 8.300 11.171 1.00 0.00 O ATOM 0 H GLY A 159 57.649 4.493 10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 159 55.587 5.204 11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 159 56.307 6.199 12.540 1.00 0.00 H new ATOM 1081 N VAL A 160 56.004 7.003 9.330 1.00 0.00 N ATOM 1082 CA VAL A 160 55.748 8.119 8.424 1.00 0.00 C ATOM 1083 C VAL A 160 54.356 7.997 7.812 1.00 0.00 C ATOM 1084 O VAL A 160 54.009 6.974 7.222 1.00 0.00 O ATOM 1085 CB VAL A 160 56.785 8.148 7.302 1.00 0.00 C ATOM 1086 CG1 VAL A 160 56.660 9.460 6.525 1.00 0.00 C ATOM 1087 CG2 VAL A 160 58.188 8.044 7.902 1.00 0.00 C ATOM 0 H VAL A 160 56.105 6.097 8.873 1.00 0.00 H new ATOM 0 HA VAL A 160 55.813 9.042 9.000 1.00 0.00 H new ATOM 0 HB VAL A 160 56.614 7.309 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 160 57.400 9.481 5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 160 55.660 9.536 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 160 56.831 10.300 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 160 58.928 8.065 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 160 58.359 8.883 8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 160 58.278 7.110 8.456 1.00 0.00 H new ATOM 1097 N GLU A 161 53.563 9.055 7.958 1.00 0.00 N ATOM 1098 CA GLU A 161 52.208 9.060 7.415 1.00 0.00 C ATOM 1099 C GLU A 161 52.246 9.082 5.890 1.00 0.00 C ATOM 1100 O GLU A 161 51.495 8.332 5.288 1.00 0.00 O ATOM 1101 CB GLU A 161 51.436 10.284 7.912 1.00 0.00 C ATOM 1102 CG GLU A 161 50.089 9.840 8.483 1.00 0.00 C ATOM 1103 CD GLU A 161 48.968 10.283 7.549 1.00 0.00 C ATOM 1104 OE1 GLU A 161 48.718 9.584 6.580 1.00 0.00 O ATOM 1105 OE2 GLU A 161 48.375 11.316 7.816 1.00 0.00 O ATOM 1106 OXT GLU A 161 53.027 9.847 5.348 1.00 0.00 O ATOM 0 H GLU A 161 53.831 9.912 8.442 1.00 0.00 H new ATOM 0 HA GLU A 161 51.706 8.153 7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 161 52.013 10.805 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 161 51.282 10.987 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 161 50.072 8.757 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 161 49.943 10.271 9.474 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.645 -7.612 0.347 1.00 0.00 CA HETATM 1115 CA CA A 3 66.166 -5.645 2.077 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.397 0.541 3.054 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.973 1.318 2.767 1.00 0.00 C HETATM 1118 O2 EMD A 1 64.008 0.798 3.184 1.00 0.00 O HETATM 1119 N3 EMD A 1 63.025 2.436 2.051 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.934 3.045 1.469 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.691 2.715 1.370 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.264 1.323 1.881 1.00 0.00 C HETATM 1123 C7 EMD A 1 60.081 0.368 0.699 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.646 3.753 0.825 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.314 3.691 1.252 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.372 4.616 0.769 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.788 5.603 -0.157 1.00 0.00 C HETATM 1128 C12 EMD A 1 59.121 5.659 -0.580 1.00 0.00 C HETATM 1129 C13 EMD A 1 60.050 4.735 -0.087 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.758 6.594 -0.681 1.00 0.00 N HETATM 1131 C15 EMD A 1 55.444 6.746 0.077 1.00 0.00 C HETATM 1132 C16 EMD A 1 55.294 5.941 1.352 1.00 0.00 C HETATM 1133 C17 EMD A 1 55.914 4.528 1.248 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.958 7.369 -1.820 1.00 0.00 C HETATM 1135 O18 EMD A 1 57.997 7.291 -2.475 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.898 8.355 -2.311 1.00 0.00 C HETATM 1137 C20 EMD A 1 56.218 9.712 -2.440 1.00 0.00 C HETATM 1138 C21 EMD A 1 55.215 10.644 -2.743 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.591 11.987 -2.860 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.907 10.226 -2.916 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.874 11.121 -3.219 1.00 0.00 O HETATM 1142 C23 EMD A 1 53.580 8.867 -2.789 1.00 0.00 C HETATM 1143 C24 EMD A 1 54.576 7.931 -2.487 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.956 12.468 -2.766 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.461 10.816 -3.101 1.00 0.00 C HETATM 0 H263 EMD A 1 51.215 9.974 -3.748 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.229 10.559 -2.067 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.875 11.685 -3.399 1.00 0.00 H new HETATM 0 H253 EMD A 1 57.366 12.211 -1.789 1.00 0.00 H new HETATM 0 H252 EMD A 1 57.560 12.004 -3.546 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.970 13.551 -2.892 1.00 0.00 H new HETATM 0 H172 EMD A 1 55.333 3.919 0.555 1.00 0.00 H new HETATM 0 H171 EMD A 1 55.873 4.034 2.219 1.00 0.00 H new HETATM 0 H162 EMD A 1 55.766 6.480 2.174 1.00 0.00 H new HETATM 0 H161 EMD A 1 54.236 5.851 1.596 1.00 0.00 H new HETATM 0 H152 EMD A 1 55.314 7.800 0.323 1.00 0.00 H new HETATM 0 H151 EMD A 1 54.630 6.473 -0.595 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.006 2.923 1.961 1.00 0.00 H new HETATM 0 H73 EMD A 1 61.046 0.184 0.227 1.00 0.00 H new HETATM 0 H72 EMD A 1 59.665 -0.575 1.054 1.00 0.00 H new HETATM 0 H71 EMD A 1 59.401 0.814 -0.027 1.00 0.00 H new HETATM 0 H6 EMD A 1 59.335 1.506 2.420 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.937 2.875 1.923 1.00 0.00 H new HETATM 0 H24 EMD A 1 54.323 6.875 -2.389 1.00 0.00 H new HETATM 0 H23 EMD A 1 52.549 8.540 -2.926 1.00 0.00 H new HETATM 0 H20 EMD A 1 57.247 10.044 -2.305 1.00 0.00 H new HETATM 0 H13 EMD A 1 61.089 4.780 -0.414 1.00 0.00 H new HETATM 0 H12 EMD A 1 59.436 6.421 -1.293 1.00 0.00 H new