USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 582 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 187 CYS SG : rot 159:sc= 0.119 USER MOD Set 1.2: A 204 HIS : no HD1:sc= -1.78 K(o=-0.63,f=-1.9) USER MOD Set 1.3: A 207 HIS : no HE2:sc= 1.03 K(o=-0.63,f=-9.8!) USER MOD Set 2.1: A 175 CYS SG : rot 150:sc= 0.179 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -1.07 X(o=0.12,f=0.35) USER MOD Set 2.3: A 195 CYS SG : rot -46:sc= 0.432 USER MOD Set 2.4: A 198 CYS SG : rot 59:sc= 0.587 USER MOD Set 3.1: A 134 CYS SG : rot 38:sc= 0.976 USER MOD Set 3.2: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 150 HIS : no HD1:sc= -0.265 K(o=1.4,f=-2.6) USER MOD Set 3.4: A 159 HIS : no HE2:sc= 0.675 K(o=1.4,f=-8.8!) USER MOD Set 4.1: A 133 THR OG1 : rot 90:sc= 0.515 USER MOD Set 4.2: A 140 SER OG : rot 100:sc= 1.75 USER MOD Set 5.1: A 124 GLN : amide:sc= -0.186 X(o=-0.19,f=0.032) USER MOD Set 5.2: A 128 GLN : amide:sc= 0 X(o=-0.19,f=-0.19) USER MOD Set 6.1: A 119 CYS SG : rot -155:sc= 0.0935 USER MOD Set 6.2: A 122 CYS SG : rot 36:sc= 0.384 USER MOD Set 6.3: A 142 CYS SG : rot -135:sc= 0.389 USER MOD Set 6.4: A 145 CYS SG : rot -148:sc= 0.82 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 132 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00177) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 141 TYR OH : rot -46:sc= 1.51 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 THR OG1 : rot 62:sc= -0.483 USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0.0197 K(o=0.02,f=-2.4!) USER MOD Single : A 185 MET CE :methyl -156:sc= -0.316 (180deg=-1.09) USER MOD Single : A 186 TYR OH : rot -14:sc= -0.0768 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.2) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 3.298 2.380 -4.861 1.00 52.32 N ATOM 27 CA LYS A 116 3.690 2.197 -6.254 1.00 14.14 C ATOM 28 C LYS A 116 2.724 2.916 -7.190 1.00 12.53 C ATOM 29 O LYS A 116 1.507 2.767 -7.077 1.00 61.55 O ATOM 30 CB LYS A 116 3.737 0.707 -6.600 1.00 4.23 C ATOM 31 CG LYS A 116 4.919 -0.022 -5.985 1.00 64.41 C ATOM 32 CD LYS A 116 4.748 -1.530 -6.067 1.00 12.05 C ATOM 33 CE LYS A 116 6.009 -2.208 -6.580 1.00 51.53 C ATOM 34 NZ LYS A 116 5.720 -3.544 -7.170 1.00 34.12 N ATOM 0 HA LYS A 116 4.683 2.626 -6.385 1.00 14.14 H new ATOM 0 HB2 LYS A 116 2.814 0.235 -6.263 1.00 4.23 H new ATOM 0 HB3 LYS A 116 3.775 0.595 -7.684 1.00 4.23 H new ATOM 0 HG2 LYS A 116 5.835 0.270 -6.499 1.00 64.41 H new ATOM 0 HG3 LYS A 116 5.029 0.276 -4.942 1.00 64.41 H new ATOM 0 HD2 LYS A 116 4.498 -1.923 -5.081 1.00 12.05 H new ATOM 0 HD3 LYS A 116 3.913 -1.767 -6.726 1.00 12.05 H new ATOM 0 HE2 LYS A 116 6.482 -1.575 -7.330 1.00 51.53 H new ATOM 0 HE3 LYS A 116 6.720 -2.319 -5.762 1.00 51.53 H new ATOM 0 HZ1 LYS A 116 6.605 -3.973 -7.508 1.00 34.12 H new ATOM 0 HZ2 LYS A 116 5.292 -4.157 -6.447 1.00 34.12 H new ATOM 0 HZ3 LYS A 116 5.061 -3.436 -7.967 1.00 34.12 H new ATOM 48 N VAL A 117 3.274 3.697 -8.114 1.00 51.14 N ATOM 49 CA VAL A 117 2.461 4.438 -9.072 1.00 21.41 C ATOM 50 C VAL A 117 2.081 3.564 -10.262 1.00 21.30 C ATOM 51 O VAL A 117 2.931 2.895 -10.852 1.00 1.30 O ATOM 52 CB VAL A 117 3.197 5.690 -9.583 1.00 44.11 C ATOM 53 CG1 VAL A 117 4.467 5.298 -10.324 1.00 0.44 C ATOM 54 CG2 VAL A 117 2.284 6.518 -10.475 1.00 22.23 C ATOM 0 H VAL A 117 4.279 3.833 -8.220 1.00 51.14 H new ATOM 0 HA VAL A 117 1.557 4.746 -8.548 1.00 21.41 H new ATOM 0 HB VAL A 117 3.479 6.300 -8.725 1.00 44.11 H new ATOM 0 HG11 VAL A 117 4.974 6.196 -10.678 1.00 0.44 H new ATOM 0 HG12 VAL A 117 5.127 4.750 -9.651 1.00 0.44 H new ATOM 0 HG13 VAL A 117 4.212 4.666 -11.175 1.00 0.44 H new ATOM 0 HG21 VAL A 117 2.821 7.399 -10.827 1.00 22.23 H new ATOM 0 HG22 VAL A 117 1.969 5.919 -11.330 1.00 22.23 H new ATOM 0 HG23 VAL A 117 1.407 6.830 -9.908 1.00 22.23 H new ATOM 64 N LEU A 118 0.799 3.574 -10.611 1.00 23.44 N ATOM 65 CA LEU A 118 0.305 2.782 -11.732 1.00 64.10 C ATOM 66 C LEU A 118 0.633 3.456 -13.061 1.00 20.15 C ATOM 67 O LEU A 118 0.636 4.684 -13.128 1.00 40.10 O ATOM 68 CB LEU A 118 -1.206 2.576 -11.610 1.00 45.43 C ATOM 69 CG LEU A 118 -1.659 1.506 -10.617 1.00 15.20 C ATOM 70 CD1 LEU A 118 -3.016 1.864 -10.030 1.00 20.12 C ATOM 71 CD2 LEU A 118 -1.710 0.142 -11.289 1.00 71.20 C ATOM 0 H LEU A 118 0.083 4.122 -10.134 1.00 23.44 H new ATOM 0 HA LEU A 118 0.801 1.812 -11.706 1.00 64.10 H new ATOM 0 HB2 LEU A 118 -1.660 3.525 -11.323 1.00 45.43 H new ATOM 0 HB3 LEU A 118 -1.598 2.319 -12.594 1.00 45.43 H new ATOM 0 HG LEU A 118 -0.934 1.461 -9.804 1.00 15.20 H new ATOM 0 HD11 LEU A 118 -3.323 1.091 -9.325 1.00 20.12 H new ATOM 0 HD12 LEU A 118 -2.948 2.821 -9.512 1.00 20.12 H new ATOM 0 HD13 LEU A 118 -3.751 1.937 -10.831 1.00 20.12 H new ATOM 0 HD21 LEU A 118 -2.034 -0.607 -10.567 1.00 71.20 H new ATOM 0 HD22 LEU A 118 -2.413 0.172 -12.121 1.00 71.20 H new ATOM 0 HD23 LEU A 118 -0.719 -0.118 -11.661 1.00 71.20 H new ATOM 83 N CYS A 119 0.897 2.648 -14.077 1.00 33.21 N ATOM 84 CA CYS A 119 1.220 3.178 -15.390 1.00 54.35 C ATOM 85 C CYS A 119 0.085 4.108 -15.825 1.00 42.32 C ATOM 86 O CYS A 119 -1.002 3.675 -16.206 1.00 50.52 O ATOM 87 CB CYS A 119 1.463 2.061 -16.407 1.00 45.43 C ATOM 88 SG CYS A 119 2.212 2.752 -17.928 1.00 23.33 S ATOM 0 H CYS A 119 0.894 1.630 -14.017 1.00 33.21 H new ATOM 0 HA CYS A 119 2.151 3.742 -15.338 1.00 54.35 H new ATOM 0 HB2 CYS A 119 2.121 1.305 -15.979 1.00 45.43 H new ATOM 0 HB3 CYS A 119 0.522 1.566 -16.647 1.00 45.43 H new ATOM 0 HG CYS A 119 1.937 1.979 -18.937 1.00 23.33 H new ATOM 93 N GLN A 120 0.366 5.406 -15.759 1.00 33.31 N ATOM 94 CA GLN A 120 -0.612 6.419 -16.139 1.00 30.45 C ATOM 95 C GLN A 120 -0.939 6.329 -17.626 1.00 1.35 C ATOM 96 O GLN A 120 -2.016 6.736 -18.060 1.00 54.54 O ATOM 97 CB GLN A 120 -0.087 7.816 -15.803 1.00 32.44 C ATOM 98 CG GLN A 120 -1.162 8.891 -15.824 1.00 22.40 C ATOM 99 CD GLN A 120 -0.821 10.074 -14.941 1.00 3.45 C ATOM 100 OE1 GLN A 120 0.351 10.397 -14.740 1.00 54.12 O ATOM 101 NE2 GLN A 120 -1.845 10.729 -14.406 1.00 41.34 N ATOM 0 H GLN A 120 1.262 5.780 -15.446 1.00 33.31 H new ATOM 0 HA GLN A 120 -1.526 6.237 -15.573 1.00 30.45 H new ATOM 0 HB2 GLN A 120 0.374 7.794 -14.816 1.00 32.44 H new ATOM 0 HB3 GLN A 120 0.695 8.082 -16.514 1.00 32.44 H new ATOM 0 HG2 GLN A 120 -1.305 9.236 -16.848 1.00 22.40 H new ATOM 0 HG3 GLN A 120 -2.108 8.460 -15.498 1.00 22.40 H new ATOM 0 HE21 GLN A 120 -2.800 10.427 -14.599 1.00 41.34 H new ATOM 0 HE22 GLN A 120 -1.676 11.534 -13.802 1.00 41.34 H new ATOM 110 N PHE A 121 -0.002 5.794 -18.401 1.00 42.32 N ATOM 111 CA PHE A 121 -0.190 5.653 -19.840 1.00 62.24 C ATOM 112 C PHE A 121 -0.593 4.225 -20.198 1.00 44.35 C ATOM 113 O PHE A 121 -0.127 3.703 -21.210 1.00 41.22 O ATOM 114 CB PHE A 121 1.092 6.035 -20.583 1.00 61.35 C ATOM 115 CG PHE A 121 1.204 7.505 -20.869 1.00 60.02 C ATOM 116 CD1 PHE A 121 0.910 8.439 -19.889 1.00 33.01 C ATOM 117 CD2 PHE A 121 1.604 7.953 -22.118 1.00 1.13 C ATOM 118 CE1 PHE A 121 1.011 9.792 -20.150 1.00 1.45 C ATOM 119 CE2 PHE A 121 1.708 9.305 -22.384 1.00 53.50 C ATOM 120 CZ PHE A 121 1.412 10.226 -21.398 1.00 52.22 C ATOM 0 H PHE A 121 0.895 5.451 -18.057 1.00 42.32 H new ATOM 0 HA PHE A 121 -0.992 6.325 -20.145 1.00 62.24 H new ATOM 0 HB2 PHE A 121 1.952 5.722 -19.992 1.00 61.35 H new ATOM 0 HB3 PHE A 121 1.135 5.486 -21.524 1.00 61.35 H new ATOM 0 HD1 PHE A 121 0.598 8.106 -18.910 1.00 33.01 H new ATOM 0 HD2 PHE A 121 1.837 7.237 -22.892 1.00 1.13 H new ATOM 0 HE1 PHE A 121 0.776 10.510 -19.378 1.00 1.45 H new ATOM 0 HE2 PHE A 121 2.020 9.641 -23.362 1.00 53.50 H new ATOM 0 HZ PHE A 121 1.494 11.283 -21.603 1.00 52.22 H new ATOM 130 N CYS A 122 -1.439 3.632 -19.370 1.00 14.22 N ATOM 131 CA CYS A 122 -1.893 2.273 -19.609 1.00 64.35 C ATOM 132 C CYS A 122 -3.398 2.309 -19.882 1.00 43.11 C ATOM 133 O CYS A 122 -4.160 3.031 -19.239 1.00 31.30 O ATOM 134 CB CYS A 122 -1.546 1.347 -18.442 1.00 34.24 C ATOM 135 SG CYS A 122 -0.357 0.068 -18.988 1.00 73.32 S ATOM 0 H CYS A 122 -1.823 4.068 -18.532 1.00 14.22 H new ATOM 0 HA CYS A 122 -1.378 1.863 -20.478 1.00 64.35 H new ATOM 0 HB2 CYS A 122 -1.119 1.926 -17.623 1.00 34.24 H new ATOM 0 HB3 CYS A 122 -2.451 0.874 -18.061 1.00 34.24 H new ATOM 0 HG CYS A 122 0.469 0.583 -19.850 1.00 73.32 H new ATOM 140 N ASP A 123 -3.811 1.508 -20.858 1.00 41.10 N ATOM 141 CA ASP A 123 -5.217 1.428 -21.238 1.00 3.02 C ATOM 142 C ASP A 123 -5.680 -0.024 -21.303 1.00 11.12 C ATOM 143 O ASP A 123 -6.337 -0.433 -22.260 1.00 4.11 O ATOM 144 CB ASP A 123 -5.442 2.109 -22.589 1.00 3.24 C ATOM 145 CG ASP A 123 -6.798 2.780 -22.680 1.00 10.43 C ATOM 146 OD1 ASP A 123 -7.008 3.791 -21.977 1.00 55.52 O ATOM 147 OD2 ASP A 123 -7.649 2.295 -23.454 1.00 42.21 O ATOM 0 H ASP A 123 -3.193 0.905 -21.400 1.00 41.10 H new ATOM 0 HA ASP A 123 -5.803 1.944 -20.478 1.00 3.02 H new ATOM 0 HB2 ASP A 123 -4.661 2.851 -22.753 1.00 3.24 H new ATOM 0 HB3 ASP A 123 -5.351 1.370 -23.385 1.00 3.24 H new ATOM 152 N GLN A 124 -5.333 -0.797 -20.279 1.00 64.10 N ATOM 153 CA GLN A 124 -5.712 -2.204 -20.222 1.00 1.24 C ATOM 154 C GLN A 124 -7.065 -2.376 -19.538 1.00 45.44 C ATOM 155 O GLN A 124 -7.954 -3.048 -20.060 1.00 64.54 O ATOM 156 CB GLN A 124 -4.646 -3.011 -19.479 1.00 21.31 C ATOM 157 CG GLN A 124 -3.574 -3.588 -20.390 1.00 54.43 C ATOM 158 CD GLN A 124 -2.488 -4.317 -19.625 1.00 43.31 C ATOM 159 OE1 GLN A 124 -1.298 -4.079 -19.835 1.00 41.32 O ATOM 160 NE2 GLN A 124 -2.891 -5.211 -18.731 1.00 35.25 N ATOM 0 H GLN A 124 -4.791 -0.473 -19.478 1.00 64.10 H new ATOM 0 HA GLN A 124 -5.792 -2.575 -21.244 1.00 1.24 H new ATOM 0 HB2 GLN A 124 -4.172 -2.372 -18.734 1.00 21.31 H new ATOM 0 HB3 GLN A 124 -5.129 -3.825 -18.939 1.00 21.31 H new ATOM 0 HG2 GLN A 124 -4.036 -4.274 -21.099 1.00 54.43 H new ATOM 0 HG3 GLN A 124 -3.125 -2.783 -20.972 1.00 54.43 H new ATOM 0 HE21 GLN A 124 -3.887 -5.377 -18.589 1.00 35.25 H new ATOM 0 HE22 GLN A 124 -2.204 -5.732 -18.186 1.00 35.25 H new ATOM 169 N ASP A 125 -7.213 -1.763 -18.369 1.00 22.52 N ATOM 170 CA ASP A 125 -8.458 -1.848 -17.614 1.00 23.00 C ATOM 171 C ASP A 125 -8.738 -3.286 -17.187 1.00 40.43 C ATOM 172 O ASP A 125 -9.439 -4.035 -17.867 1.00 35.21 O ATOM 173 CB ASP A 125 -9.623 -1.314 -18.449 1.00 64.42 C ATOM 174 CG ASP A 125 -10.730 -0.733 -17.593 1.00 34.02 C ATOM 175 OD1 ASP A 125 -10.675 0.478 -17.294 1.00 10.00 O ATOM 176 OD2 ASP A 125 -11.652 -1.489 -17.221 1.00 32.33 O ATOM 0 H ASP A 125 -6.487 -1.202 -17.924 1.00 22.52 H new ATOM 0 HA ASP A 125 -8.353 -1.236 -16.718 1.00 23.00 H new ATOM 0 HB2 ASP A 125 -9.256 -0.548 -19.132 1.00 64.42 H new ATOM 0 HB3 ASP A 125 -10.027 -2.120 -19.062 1.00 64.42 H new ATOM 181 N PRO A 126 -8.177 -3.681 -16.035 1.00 63.42 N ATOM 182 CA PRO A 126 -7.339 -2.798 -15.218 1.00 72.12 C ATOM 183 C PRO A 126 -6.000 -2.494 -15.880 1.00 44.00 C ATOM 184 O PRO A 126 -5.535 -3.246 -16.736 1.00 40.45 O ATOM 185 CB PRO A 126 -7.130 -3.599 -13.931 1.00 0.04 C ATOM 186 CG PRO A 126 -7.294 -5.022 -14.339 1.00 24.31 C ATOM 187 CD PRO A 126 -8.316 -5.022 -15.442 1.00 2.23 C ATOM 0 HA PRO A 126 -7.805 -1.825 -15.060 1.00 72.12 H new ATOM 0 HB2 PRO A 126 -6.141 -3.420 -13.509 1.00 0.04 H new ATOM 0 HB3 PRO A 126 -7.857 -3.320 -13.168 1.00 0.04 H new ATOM 0 HG2 PRO A 126 -6.348 -5.441 -14.683 1.00 24.31 H new ATOM 0 HG3 PRO A 126 -7.626 -5.633 -13.499 1.00 24.31 H new ATOM 0 HD2 PRO A 126 -8.119 -5.807 -16.172 1.00 2.23 H new ATOM 0 HD3 PRO A 126 -9.322 -5.189 -15.058 1.00 2.23 H new ATOM 195 N ALA A 127 -5.383 -1.388 -15.477 1.00 13.41 N ATOM 196 CA ALA A 127 -4.096 -0.986 -16.029 1.00 43.04 C ATOM 197 C ALA A 127 -2.946 -1.663 -15.291 1.00 31.12 C ATOM 198 O ALA A 127 -3.156 -2.333 -14.280 1.00 62.53 O ATOM 199 CB ALA A 127 -3.945 0.527 -15.971 1.00 21.14 C ATOM 0 H ALA A 127 -5.755 -0.754 -14.769 1.00 13.41 H new ATOM 0 HA ALA A 127 -4.061 -1.303 -17.071 1.00 43.04 H new ATOM 0 HB1 ALA A 127 -2.979 0.812 -16.387 1.00 21.14 H new ATOM 0 HB2 ALA A 127 -4.742 0.995 -16.550 1.00 21.14 H new ATOM 0 HB3 ALA A 127 -4.006 0.859 -14.935 1.00 21.14 H new ATOM 205 N GLN A 128 -1.733 -1.484 -15.803 1.00 3.44 N ATOM 206 CA GLN A 128 -0.551 -2.079 -15.191 1.00 64.32 C ATOM 207 C GLN A 128 0.186 -1.062 -14.326 1.00 41.12 C ATOM 208 O GLN A 128 -0.233 0.090 -14.213 1.00 1.22 O ATOM 209 CB GLN A 128 0.388 -2.624 -16.270 1.00 13.04 C ATOM 210 CG GLN A 128 0.912 -4.019 -15.971 1.00 64.23 C ATOM 211 CD GLN A 128 1.738 -4.588 -17.108 1.00 42.45 C ATOM 212 OE1 GLN A 128 1.220 -5.292 -17.975 1.00 63.23 O ATOM 213 NE2 GLN A 128 3.031 -4.284 -17.111 1.00 52.53 N ATOM 0 H GLN A 128 -1.543 -0.932 -16.639 1.00 3.44 H new ATOM 0 HA GLN A 128 -0.878 -2.901 -14.554 1.00 64.32 H new ATOM 0 HB2 GLN A 128 -0.138 -2.639 -17.224 1.00 13.04 H new ATOM 0 HB3 GLN A 128 1.232 -1.944 -16.383 1.00 13.04 H new ATOM 0 HG2 GLN A 128 1.519 -3.989 -15.066 1.00 64.23 H new ATOM 0 HG3 GLN A 128 0.072 -4.683 -15.770 1.00 64.23 H new ATOM 0 HE21 GLN A 128 3.419 -3.697 -16.372 1.00 52.53 H new ATOM 0 HE22 GLN A 128 3.636 -4.638 -17.852 1.00 52.53 H new ATOM 222 N ASP A 129 1.285 -1.495 -13.718 1.00 34.32 N ATOM 223 CA ASP A 129 2.080 -0.622 -12.863 1.00 64.00 C ATOM 224 C ASP A 129 3.447 -0.351 -13.485 1.00 54.32 C ATOM 225 O ASP A 129 4.065 -1.244 -14.062 1.00 64.40 O ATOM 226 CB ASP A 129 2.252 -1.247 -11.478 1.00 21.22 C ATOM 227 CG ASP A 129 2.958 -2.588 -11.531 1.00 75.01 C ATOM 228 OD1 ASP A 129 2.341 -3.565 -12.006 1.00 13.04 O ATOM 229 OD2 ASP A 129 4.127 -2.660 -11.099 1.00 72.31 O ATOM 0 H ASP A 129 1.645 -2.446 -13.802 1.00 34.32 H new ATOM 0 HA ASP A 129 1.551 0.326 -12.762 1.00 64.00 H new ATOM 0 HB2 ASP A 129 2.819 -0.566 -10.843 1.00 21.22 H new ATOM 0 HB3 ASP A 129 1.273 -1.373 -11.015 1.00 21.22 H new ATOM 234 N ALA A 130 3.910 0.889 -13.365 1.00 24.15 N ATOM 235 CA ALA A 130 5.203 1.278 -13.914 1.00 23.40 C ATOM 236 C ALA A 130 6.347 0.746 -13.056 1.00 14.40 C ATOM 237 O ALA A 130 6.453 1.073 -11.874 1.00 35.13 O ATOM 238 CB ALA A 130 5.291 2.792 -14.035 1.00 65.35 C ATOM 0 H ALA A 130 3.409 1.641 -12.892 1.00 24.15 H new ATOM 0 HA ALA A 130 5.295 0.839 -14.908 1.00 23.40 H new ATOM 0 HB1 ALA A 130 6.262 3.068 -14.446 1.00 65.35 H new ATOM 0 HB2 ALA A 130 4.502 3.151 -14.696 1.00 65.35 H new ATOM 0 HB3 ALA A 130 5.173 3.243 -13.050 1.00 65.35 H new ATOM 244 N VAL A 131 7.200 -0.075 -13.659 1.00 5.04 N ATOM 245 CA VAL A 131 8.337 -0.651 -12.950 1.00 34.44 C ATOM 246 C VAL A 131 9.652 -0.064 -13.449 1.00 73.13 C ATOM 247 O VAL A 131 10.695 -0.220 -12.815 1.00 2.44 O ATOM 248 CB VAL A 131 8.378 -2.183 -13.107 1.00 42.02 C ATOM 249 CG1 VAL A 131 7.071 -2.804 -12.639 1.00 52.24 C ATOM 250 CG2 VAL A 131 8.671 -2.562 -14.551 1.00 43.21 C ATOM 0 H VAL A 131 7.126 -0.357 -14.637 1.00 5.04 H new ATOM 0 HA VAL A 131 8.210 -0.404 -11.896 1.00 34.44 H new ATOM 0 HB VAL A 131 9.181 -2.573 -12.482 1.00 42.02 H new ATOM 0 HG11 VAL A 131 7.119 -3.886 -12.758 1.00 52.24 H new ATOM 0 HG12 VAL A 131 6.908 -2.561 -11.589 1.00 52.24 H new ATOM 0 HG13 VAL A 131 6.247 -2.410 -13.234 1.00 52.24 H new ATOM 0 HG21 VAL A 131 8.696 -3.648 -14.644 1.00 43.21 H new ATOM 0 HG22 VAL A 131 7.891 -2.160 -15.198 1.00 43.21 H new ATOM 0 HG23 VAL A 131 9.636 -2.150 -14.847 1.00 43.21 H new ATOM 260 N LYS A 132 9.595 0.612 -14.591 1.00 50.54 N ATOM 261 CA LYS A 132 10.781 1.226 -15.178 1.00 33.04 C ATOM 262 C LYS A 132 10.522 2.689 -15.522 1.00 43.24 C ATOM 263 O LYS A 132 9.385 3.158 -15.474 1.00 55.11 O ATOM 264 CB LYS A 132 11.207 0.463 -16.434 1.00 22.45 C ATOM 265 CG LYS A 132 12.451 -0.386 -16.236 1.00 44.04 C ATOM 266 CD LYS A 132 12.860 -1.083 -17.523 1.00 64.21 C ATOM 267 CE LYS A 132 12.920 -2.592 -17.344 1.00 62.54 C ATOM 268 NZ LYS A 132 14.019 -2.999 -16.425 1.00 34.13 N ATOM 0 H LYS A 132 8.740 0.749 -15.129 1.00 50.54 H new ATOM 0 HA LYS A 132 11.585 1.181 -14.443 1.00 33.04 H new ATOM 0 HB2 LYS A 132 10.386 -0.179 -16.755 1.00 22.45 H new ATOM 0 HB3 LYS A 132 11.388 1.176 -17.238 1.00 22.45 H new ATOM 0 HG2 LYS A 132 13.270 0.242 -15.885 1.00 44.04 H new ATOM 0 HG3 LYS A 132 12.266 -1.130 -15.461 1.00 44.04 H new ATOM 0 HD2 LYS A 132 12.150 -0.837 -18.313 1.00 64.21 H new ATOM 0 HD3 LYS A 132 13.834 -0.714 -17.844 1.00 64.21 H new ATOM 0 HE2 LYS A 132 11.968 -2.949 -16.952 1.00 62.54 H new ATOM 0 HE3 LYS A 132 13.063 -3.067 -18.314 1.00 62.54 H new ATOM 0 HZ1 LYS A 132 14.048 -4.036 -16.356 1.00 34.13 H new ATOM 0 HZ2 LYS A 132 14.927 -2.651 -16.794 1.00 34.13 H new ATOM 0 HZ3 LYS A 132 13.851 -2.594 -15.482 1.00 34.13 H new ATOM 282 N THR A 133 11.585 3.407 -15.872 1.00 63.11 N ATOM 283 CA THR A 133 11.473 4.816 -16.225 1.00 43.44 C ATOM 284 C THR A 133 12.615 5.247 -17.139 1.00 61.42 C ATOM 285 O THR A 133 13.773 4.979 -16.822 1.00 1.52 O ATOM 286 CB THR A 133 11.469 5.711 -14.972 1.00 4.34 C ATOM 287 OG1 THR A 133 10.494 5.239 -14.036 1.00 13.21 O ATOM 288 CG2 THR A 133 11.169 7.157 -15.339 1.00 61.53 C ATOM 0 H THR A 133 12.534 3.035 -15.918 1.00 63.11 H new ATOM 0 HA THR A 133 10.526 4.935 -16.751 1.00 43.44 H new ATOM 0 HB THR A 133 12.459 5.667 -14.518 1.00 4.34 H new ATOM 0 HG1 THR A 133 10.908 4.587 -13.433 1.00 13.21 H new ATOM 0 HG21 THR A 133 11.172 7.769 -14.437 1.00 61.53 H new ATOM 0 HG22 THR A 133 11.930 7.523 -16.028 1.00 61.53 H new ATOM 0 HG23 THR A 133 10.190 7.216 -15.815 1.00 61.53 H new ATOM 296 N CYS A 134 12.270 5.896 -18.241 1.00 52.41 N ATOM 297 CA CYS A 134 13.274 6.355 -19.185 1.00 45.03 C ATOM 298 C CYS A 134 13.595 7.818 -18.873 1.00 11.11 C ATOM 299 O CYS A 134 12.718 8.680 -18.813 1.00 3.32 O ATOM 300 CB CYS A 134 12.817 6.168 -20.633 1.00 63.53 C ATOM 301 SG CYS A 134 14.067 6.857 -21.778 1.00 41.15 S ATOM 0 H CYS A 134 11.308 6.115 -18.501 1.00 52.41 H new ATOM 0 HA CYS A 134 14.178 5.755 -19.078 1.00 45.03 H new ATOM 0 HB2 CYS A 134 12.666 5.109 -20.841 1.00 63.53 H new ATOM 0 HB3 CYS A 134 11.858 6.663 -20.787 1.00 63.53 H new ATOM 0 HG CYS A 134 15.258 6.608 -21.321 1.00 41.15 H new ATOM 306 N VAL A 135 14.883 8.081 -18.674 1.00 33.14 N ATOM 307 CA VAL A 135 15.349 9.428 -18.367 1.00 65.23 C ATOM 308 C VAL A 135 15.263 10.331 -19.592 1.00 43.22 C ATOM 309 O VAL A 135 14.904 11.505 -19.489 1.00 23.32 O ATOM 310 CB VAL A 135 16.801 9.415 -17.853 1.00 44.24 C ATOM 311 CG1 VAL A 135 16.890 8.689 -16.520 1.00 13.03 C ATOM 312 CG2 VAL A 135 17.724 8.776 -18.880 1.00 60.21 C ATOM 0 H VAL A 135 15.622 7.379 -18.720 1.00 33.14 H new ATOM 0 HA VAL A 135 14.698 9.819 -17.585 1.00 65.23 H new ATOM 0 HB VAL A 135 17.123 10.445 -17.700 1.00 44.24 H new ATOM 0 HG11 VAL A 135 17.923 8.690 -16.173 1.00 13.03 H new ATOM 0 HG12 VAL A 135 16.261 9.195 -15.788 1.00 13.03 H new ATOM 0 HG13 VAL A 135 16.550 7.661 -16.642 1.00 13.03 H new ATOM 0 HG21 VAL A 135 18.746 8.775 -18.500 1.00 60.21 H new ATOM 0 HG22 VAL A 135 17.406 7.750 -19.067 1.00 60.21 H new ATOM 0 HG23 VAL A 135 17.683 9.344 -19.809 1.00 60.21 H new ATOM 322 N THR A 136 15.595 9.777 -20.754 1.00 73.23 N ATOM 323 CA THR A 136 15.556 10.532 -22.000 1.00 73.12 C ATOM 324 C THR A 136 14.124 10.896 -22.378 1.00 4.34 C ATOM 325 O THR A 136 13.926 11.824 -23.161 1.00 23.12 O ATOM 326 CB THR A 136 16.194 9.740 -23.157 1.00 51.32 C ATOM 327 OG1 THR A 136 17.513 9.318 -22.793 1.00 34.43 O ATOM 328 CG2 THR A 136 16.258 10.585 -24.421 1.00 13.25 C ATOM 0 H THR A 136 15.894 8.807 -20.858 1.00 73.23 H new ATOM 0 HA THR A 136 16.129 11.445 -21.834 1.00 73.12 H new ATOM 0 HB THR A 136 15.574 8.865 -23.354 1.00 51.32 H new ATOM 0 HG1 THR A 136 17.911 8.814 -23.533 1.00 34.43 H new ATOM 0 HG21 THR A 136 16.712 10.005 -25.224 1.00 13.25 H new ATOM 0 HG22 THR A 136 15.250 10.881 -24.712 1.00 13.25 H new ATOM 0 HG23 THR A 136 16.858 11.476 -24.233 1.00 13.25 H new ATOM 336 N CYS A 137 13.168 10.168 -21.819 1.00 45.43 N ATOM 337 CA CYS A 137 11.768 10.427 -22.106 1.00 35.45 C ATOM 338 C CYS A 137 11.216 11.346 -21.014 1.00 34.31 C ATOM 339 O CYS A 137 10.241 12.072 -21.205 1.00 41.12 O ATOM 340 CB CYS A 137 10.965 9.129 -22.219 1.00 32.03 C ATOM 341 SG CYS A 137 11.234 8.368 -23.861 1.00 22.41 S ATOM 0 H CYS A 137 13.336 9.400 -21.169 1.00 45.43 H new ATOM 0 HA CYS A 137 11.677 10.919 -23.074 1.00 35.45 H new ATOM 0 HB2 CYS A 137 11.266 8.436 -21.434 1.00 32.03 H new ATOM 0 HB3 CYS A 137 9.904 9.334 -22.073 1.00 32.03 H new ATOM 0 HG CYS A 137 10.550 7.266 -23.946 1.00 22.41 H new ATOM 346 N GLU A 138 11.866 11.296 -19.856 1.00 5.42 N ATOM 347 CA GLU A 138 11.461 12.113 -18.717 1.00 64.54 C ATOM 348 C GLU A 138 10.086 11.692 -18.208 1.00 72.43 C ATOM 349 O GLU A 138 9.304 12.520 -17.742 1.00 54.32 O ATOM 350 CB GLU A 138 11.443 13.593 -19.103 1.00 64.05 C ATOM 351 CG GLU A 138 11.755 14.528 -17.947 1.00 21.53 C ATOM 352 CD GLU A 138 11.241 15.935 -18.179 1.00 40.10 C ATOM 353 OE1 GLU A 138 11.244 16.384 -19.344 1.00 72.54 O ATOM 354 OE2 GLU A 138 10.836 16.588 -17.195 1.00 34.15 O ATOM 0 H GLU A 138 12.675 10.699 -19.681 1.00 5.42 H new ATOM 0 HA GLU A 138 12.187 11.963 -17.918 1.00 64.54 H new ATOM 0 HB2 GLU A 138 12.167 13.761 -19.900 1.00 64.05 H new ATOM 0 HB3 GLU A 138 10.462 13.843 -19.506 1.00 64.05 H new ATOM 0 HG2 GLU A 138 11.313 14.130 -17.033 1.00 21.53 H new ATOM 0 HG3 GLU A 138 12.833 14.560 -17.792 1.00 21.53 H new ATOM 361 N VAL A 139 9.797 10.397 -18.302 1.00 2.45 N ATOM 362 CA VAL A 139 8.517 9.865 -17.851 1.00 0.15 C ATOM 363 C VAL A 139 8.657 8.422 -17.381 1.00 31.44 C ATOM 364 O VAL A 139 9.524 7.686 -17.852 1.00 73.31 O ATOM 365 CB VAL A 139 7.458 9.930 -18.967 1.00 33.32 C ATOM 366 CG1 VAL A 139 6.094 9.519 -18.433 1.00 53.31 C ATOM 367 CG2 VAL A 139 7.405 11.325 -19.571 1.00 23.21 C ATOM 0 H VAL A 139 10.432 9.698 -18.686 1.00 2.45 H new ATOM 0 HA VAL A 139 8.192 10.486 -17.016 1.00 0.15 H new ATOM 0 HB VAL A 139 7.740 9.230 -19.753 1.00 33.32 H new ATOM 0 HG11 VAL A 139 5.358 9.571 -19.236 1.00 53.31 H new ATOM 0 HG12 VAL A 139 6.145 8.499 -18.053 1.00 53.31 H new ATOM 0 HG13 VAL A 139 5.801 10.192 -17.628 1.00 53.31 H new ATOM 0 HG21 VAL A 139 6.651 11.352 -20.358 1.00 23.21 H new ATOM 0 HG22 VAL A 139 7.147 12.047 -18.796 1.00 23.21 H new ATOM 0 HG23 VAL A 139 8.378 11.576 -19.992 1.00 23.21 H new ATOM 377 N SER A 140 7.797 8.023 -16.448 1.00 64.55 N ATOM 378 CA SER A 140 7.827 6.667 -15.912 1.00 11.14 C ATOM 379 C SER A 140 6.697 5.826 -16.498 1.00 21.12 C ATOM 380 O SER A 140 5.526 6.198 -16.419 1.00 60.40 O ATOM 381 CB SER A 140 7.716 6.698 -14.386 1.00 24.40 C ATOM 382 OG SER A 140 7.914 5.407 -13.834 1.00 43.43 O ATOM 0 H SER A 140 7.072 8.619 -16.048 1.00 64.55 H new ATOM 0 HA SER A 140 8.777 6.212 -16.192 1.00 11.14 H new ATOM 0 HB2 SER A 140 8.454 7.388 -13.978 1.00 24.40 H new ATOM 0 HB3 SER A 140 6.735 7.074 -14.097 1.00 24.40 H new ATOM 0 HG SER A 140 8.833 5.330 -13.503 1.00 43.43 H new ATOM 388 N TYR A 141 7.057 4.691 -17.086 1.00 25.42 N ATOM 389 CA TYR A 141 6.076 3.797 -17.688 1.00 74.41 C ATOM 390 C TYR A 141 6.327 2.351 -17.271 1.00 32.13 C ATOM 391 O TYR A 141 7.285 2.090 -16.544 1.00 52.25 O ATOM 392 CB TYR A 141 6.116 3.913 -19.213 1.00 2.43 C ATOM 393 CG TYR A 141 5.646 5.254 -19.730 1.00 74.00 C ATOM 394 CD1 TYR A 141 4.550 5.894 -19.164 1.00 71.31 C ATOM 395 CD2 TYR A 141 6.298 5.881 -20.785 1.00 13.34 C ATOM 396 CE1 TYR A 141 4.116 7.118 -19.634 1.00 42.02 C ATOM 397 CE2 TYR A 141 5.872 7.106 -21.260 1.00 51.53 C ATOM 398 CZ TYR A 141 4.780 7.720 -20.682 1.00 45.51 C ATOM 399 OH TYR A 141 4.352 8.941 -21.152 1.00 64.24 O ATOM 0 H TYR A 141 8.022 4.368 -17.159 1.00 25.42 H new ATOM 0 HA TYR A 141 5.089 4.092 -17.333 1.00 74.41 H new ATOM 0 HB2 TYR A 141 7.136 3.738 -19.556 1.00 2.43 H new ATOM 0 HB3 TYR A 141 5.495 3.128 -19.645 1.00 2.43 H new ATOM 0 HD1 TYR A 141 4.028 5.426 -18.342 1.00 71.31 H new ATOM 0 HD2 TYR A 141 7.152 5.402 -21.241 1.00 13.34 H new ATOM 0 HE1 TYR A 141 3.262 7.601 -19.183 1.00 42.02 H new ATOM 0 HE2 TYR A 141 6.391 7.581 -22.080 1.00 51.53 H new ATOM 0 HH TYR A 141 3.377 8.929 -21.255 1.00 64.24 H new ATOM 409 N CYS A 142 5.470 1.453 -17.734 1.00 63.44 N ATOM 410 CA CYS A 142 5.610 0.045 -17.404 1.00 22.34 C ATOM 411 C CYS A 142 6.369 -0.643 -18.541 1.00 13.14 C ATOM 412 O CYS A 142 6.681 -0.046 -19.571 1.00 71.22 O ATOM 413 CB CYS A 142 4.253 -0.613 -17.143 1.00 43.33 C ATOM 414 SG CYS A 142 3.362 -0.854 -18.723 1.00 74.30 S ATOM 0 H CYS A 142 4.676 1.673 -18.335 1.00 63.44 H new ATOM 0 HA CYS A 142 6.174 -0.059 -16.477 1.00 22.34 H new ATOM 0 HB2 CYS A 142 4.394 -1.572 -16.645 1.00 43.33 H new ATOM 0 HB3 CYS A 142 3.660 0.010 -16.473 1.00 43.33 H new ATOM 0 HG CYS A 142 2.125 -0.480 -18.585 1.00 74.30 H new ATOM 419 N ASP A 143 6.660 -1.921 -18.328 1.00 60.55 N ATOM 420 CA ASP A 143 7.379 -2.716 -19.318 1.00 20.14 C ATOM 421 C ASP A 143 6.612 -2.768 -20.635 1.00 35.21 C ATOM 422 O ASP A 143 7.190 -2.600 -21.708 1.00 0.33 O ATOM 423 CB ASP A 143 7.612 -4.134 -18.792 1.00 43.45 C ATOM 424 CG ASP A 143 8.436 -4.976 -19.747 1.00 33.24 C ATOM 425 OD1 ASP A 143 9.610 -4.625 -19.985 1.00 20.40 O ATOM 426 OD2 ASP A 143 7.905 -5.986 -20.256 1.00 24.13 O ATOM 0 H ASP A 143 6.410 -2.429 -17.480 1.00 60.55 H new ATOM 0 HA ASP A 143 8.343 -2.241 -19.499 1.00 20.14 H new ATOM 0 HB2 ASP A 143 8.118 -4.083 -17.828 1.00 43.45 H new ATOM 0 HB3 ASP A 143 6.650 -4.618 -18.622 1.00 43.45 H new ATOM 431 N GLU A 144 5.306 -3.004 -20.545 1.00 3.24 N ATOM 432 CA GLU A 144 4.461 -3.080 -21.730 1.00 53.02 C ATOM 433 C GLU A 144 4.657 -1.855 -22.618 1.00 40.51 C ATOM 434 O GLU A 144 5.170 -1.990 -23.728 1.00 30.11 O ATOM 435 CB GLU A 144 2.990 -3.201 -21.328 1.00 35.34 C ATOM 436 CG GLU A 144 2.286 -4.398 -21.946 1.00 1.13 C ATOM 437 CD GLU A 144 1.141 -3.996 -22.855 1.00 41.10 C ATOM 438 OE1 GLU A 144 1.412 -3.586 -24.003 1.00 62.44 O ATOM 439 OE2 GLU A 144 -0.025 -4.090 -22.419 1.00 30.31 O ATOM 0 H GLU A 144 4.812 -3.146 -19.664 1.00 3.24 H new ATOM 0 HA GLU A 144 4.750 -3.967 -22.294 1.00 53.02 H new ATOM 0 HB2 GLU A 144 2.924 -3.272 -20.242 1.00 35.34 H new ATOM 0 HB3 GLU A 144 2.466 -2.291 -21.621 1.00 35.34 H new ATOM 0 HG2 GLU A 144 3.007 -4.985 -22.514 1.00 1.13 H new ATOM 0 HG3 GLU A 144 1.906 -5.041 -21.152 1.00 1.13 H new ATOM 446 N CYS A 145 4.249 -0.698 -22.116 1.00 74.33 N ATOM 447 CA CYS A 145 4.384 0.535 -22.872 1.00 44.21 C ATOM 448 C CYS A 145 5.850 0.688 -23.283 1.00 61.14 C ATOM 449 O CYS A 145 6.179 0.981 -24.434 1.00 31.03 O ATOM 450 CB CYS A 145 3.886 1.744 -22.077 1.00 71.30 C ATOM 451 SG CYS A 145 2.156 1.472 -21.545 1.00 2.43 S ATOM 0 H CYS A 145 3.825 -0.589 -21.195 1.00 74.33 H new ATOM 0 HA CYS A 145 3.760 0.487 -23.764 1.00 44.21 H new ATOM 0 HB2 CYS A 145 4.522 1.905 -21.207 1.00 71.30 H new ATOM 0 HB3 CYS A 145 3.950 2.644 -22.689 1.00 71.30 H new ATOM 0 HG CYS A 145 1.531 2.611 -21.503 1.00 2.43 H new ATOM 456 N LEU A 146 6.731 0.481 -22.310 1.00 54.05 N ATOM 457 CA LEU A 146 8.167 0.589 -22.543 1.00 32.43 C ATOM 458 C LEU A 146 8.577 -0.193 -23.786 1.00 64.15 C ATOM 459 O LEU A 146 9.536 0.166 -24.470 1.00 64.43 O ATOM 460 CB LEU A 146 8.940 0.076 -21.326 1.00 51.42 C ATOM 461 CG LEU A 146 10.464 0.089 -21.446 1.00 23.52 C ATOM 462 CD1 LEU A 146 11.032 1.391 -20.904 1.00 11.21 C ATOM 463 CD2 LEU A 146 11.066 -1.103 -20.715 1.00 1.33 C ATOM 0 H LEU A 146 6.476 0.238 -21.353 1.00 54.05 H new ATOM 0 HA LEU A 146 8.407 1.640 -22.702 1.00 32.43 H new ATOM 0 HB2 LEU A 146 8.658 0.677 -20.462 1.00 51.42 H new ATOM 0 HB3 LEU A 146 8.620 -0.946 -21.121 1.00 51.42 H new ATOM 0 HG LEU A 146 10.727 0.014 -22.501 1.00 23.52 H new ATOM 0 HD11 LEU A 146 12.118 1.381 -20.998 1.00 11.21 H new ATOM 0 HD12 LEU A 146 10.626 2.229 -21.471 1.00 11.21 H new ATOM 0 HD13 LEU A 146 10.760 1.498 -19.854 1.00 11.21 H new ATOM 0 HD21 LEU A 146 12.152 -1.078 -20.811 1.00 1.33 H new ATOM 0 HD22 LEU A 146 10.794 -1.059 -19.661 1.00 1.33 H new ATOM 0 HD23 LEU A 146 10.685 -2.027 -21.150 1.00 1.33 H new ATOM 475 N LYS A 147 7.844 -1.263 -24.076 1.00 12.43 N ATOM 476 CA LYS A 147 8.128 -2.094 -25.239 1.00 62.21 C ATOM 477 C LYS A 147 7.758 -1.370 -26.529 1.00 54.13 C ATOM 478 O LYS A 147 8.516 -1.382 -27.498 1.00 50.54 O ATOM 479 CB LYS A 147 7.363 -3.416 -25.146 1.00 32.20 C ATOM 480 CG LYS A 147 7.921 -4.506 -26.044 1.00 74.53 C ATOM 481 CD LYS A 147 6.999 -5.714 -26.094 1.00 41.44 C ATOM 482 CE LYS A 147 7.177 -6.498 -27.385 1.00 43.34 C ATOM 483 NZ LYS A 147 8.211 -7.561 -27.250 1.00 70.13 N ATOM 0 H LYS A 147 7.048 -1.575 -23.520 1.00 12.43 H new ATOM 0 HA LYS A 147 9.198 -2.301 -25.254 1.00 62.21 H new ATOM 0 HB2 LYS A 147 7.380 -3.764 -24.113 1.00 32.20 H new ATOM 0 HB3 LYS A 147 6.319 -3.241 -25.407 1.00 32.20 H new ATOM 0 HG2 LYS A 147 8.062 -4.113 -27.051 1.00 74.53 H new ATOM 0 HG3 LYS A 147 8.902 -4.811 -25.681 1.00 74.53 H new ATOM 0 HD2 LYS A 147 7.202 -6.363 -25.242 1.00 41.44 H new ATOM 0 HD3 LYS A 147 5.963 -5.386 -26.006 1.00 41.44 H new ATOM 0 HE2 LYS A 147 6.227 -6.950 -27.670 1.00 43.34 H new ATOM 0 HE3 LYS A 147 7.459 -5.817 -28.188 1.00 43.34 H new ATOM 0 HZ1 LYS A 147 8.303 -8.073 -28.151 1.00 70.13 H new ATOM 0 HZ2 LYS A 147 9.124 -7.128 -27.003 1.00 70.13 H new ATOM 0 HZ3 LYS A 147 7.930 -8.226 -26.501 1.00 70.13 H new ATOM 497 N ALA A 148 6.588 -0.739 -26.534 1.00 33.35 N ATOM 498 CA ALA A 148 6.119 -0.007 -27.703 1.00 51.13 C ATOM 499 C ALA A 148 6.925 1.271 -27.910 1.00 13.20 C ATOM 500 O ALA A 148 7.426 1.532 -29.004 1.00 63.21 O ATOM 501 CB ALA A 148 4.639 0.317 -27.565 1.00 73.42 C ATOM 0 H ALA A 148 5.948 -0.721 -25.740 1.00 33.35 H new ATOM 0 HA ALA A 148 6.260 -0.641 -28.578 1.00 51.13 H new ATOM 0 HB1 ALA A 148 4.303 0.864 -28.446 1.00 73.42 H new ATOM 0 HB2 ALA A 148 4.071 -0.609 -27.474 1.00 73.42 H new ATOM 0 HB3 ALA A 148 4.482 0.928 -26.676 1.00 73.42 H new ATOM 507 N THR A 149 7.045 2.067 -26.852 1.00 10.21 N ATOM 508 CA THR A 149 7.788 3.319 -26.918 1.00 1.21 C ATOM 509 C THR A 149 9.226 3.082 -27.366 1.00 11.25 C ATOM 510 O THR A 149 9.773 3.847 -28.160 1.00 45.30 O ATOM 511 CB THR A 149 7.798 4.039 -25.556 1.00 63.21 C ATOM 512 OG1 THR A 149 7.888 3.080 -24.496 1.00 45.31 O ATOM 513 CG2 THR A 149 6.544 4.881 -25.380 1.00 11.13 C ATOM 0 H THR A 149 6.637 1.866 -25.939 1.00 10.21 H new ATOM 0 HA THR A 149 7.282 3.949 -27.650 1.00 1.21 H new ATOM 0 HB THR A 149 8.666 4.698 -25.524 1.00 63.21 H new ATOM 0 HG1 THR A 149 8.729 2.583 -24.575 1.00 45.31 H new ATOM 0 HG21 THR A 149 6.574 5.380 -24.411 1.00 11.13 H new ATOM 0 HG22 THR A 149 6.494 5.629 -26.172 1.00 11.13 H new ATOM 0 HG23 THR A 149 5.665 4.239 -25.431 1.00 11.13 H new ATOM 521 N HIS A 150 9.833 2.017 -26.851 1.00 50.34 N ATOM 522 CA HIS A 150 11.208 1.679 -27.200 1.00 23.11 C ATOM 523 C HIS A 150 11.254 0.439 -28.088 1.00 24.25 C ATOM 524 O HIS A 150 11.377 -0.690 -27.612 1.00 73.42 O ATOM 525 CB HIS A 150 12.035 1.446 -25.935 1.00 33.11 C ATOM 526 CG HIS A 150 12.144 2.656 -25.059 1.00 50.24 C ATOM 527 ND1 HIS A 150 12.935 2.700 -23.931 1.00 33.44 N ATOM 528 CD2 HIS A 150 11.558 3.873 -25.153 1.00 71.44 C ATOM 529 CE1 HIS A 150 12.829 3.890 -23.367 1.00 71.21 C ATOM 530 NE2 HIS A 150 12.000 4.621 -24.090 1.00 34.30 N ATOM 0 H HIS A 150 9.395 1.374 -26.191 1.00 50.34 H new ATOM 0 HA HIS A 150 11.633 2.516 -27.753 1.00 23.11 H new ATOM 0 HB2 HIS A 150 11.588 0.633 -25.363 1.00 33.11 H new ATOM 0 HB3 HIS A 150 13.036 1.122 -26.220 1.00 33.11 H new ATOM 0 HD2 HIS A 150 10.871 4.195 -25.921 1.00 71.44 H new ATOM 0 HE1 HIS A 150 13.334 4.210 -22.468 1.00 71.21 H new ATOM 0 HE2 HIS A 150 11.732 5.585 -23.891 1.00 34.30 H new ATOM 664 N HIS A 159 18.357 5.185 -25.747 1.00 3.21 N ATOM 665 CA HIS A 159 17.583 5.693 -24.620 1.00 21.43 C ATOM 666 C HIS A 159 18.156 5.191 -23.298 1.00 34.44 C ATOM 667 O HIS A 159 18.429 4.001 -23.141 1.00 22.45 O ATOM 668 CB HIS A 159 16.119 5.270 -24.748 1.00 42.30 C ATOM 669 CG HIS A 159 15.285 6.232 -25.537 1.00 3.20 C ATOM 670 ND1 HIS A 159 13.906 6.215 -25.530 1.00 25.24 N ATOM 671 CD2 HIS A 159 15.643 7.246 -26.360 1.00 32.32 C ATOM 672 CE1 HIS A 159 13.452 7.175 -26.315 1.00 60.21 C ATOM 673 NE2 HIS A 159 14.486 7.816 -26.831 1.00 34.52 N ATOM 0 HA HIS A 159 17.641 6.781 -24.631 1.00 21.43 H new ATOM 0 HB2 HIS A 159 16.073 4.289 -25.221 1.00 42.30 H new ATOM 0 HB3 HIS A 159 15.691 5.164 -23.751 1.00 42.30 H new ATOM 0 HD1 HIS A 159 13.327 5.563 -25.001 1.00 25.24 H new ATOM 0 HD2 HIS A 159 16.651 7.550 -26.601 1.00 32.32 H new ATOM 0 HE1 HIS A 159 12.412 7.398 -26.503 1.00 60.21 H new ATOM 680 N ARG A 160 18.335 6.106 -22.351 1.00 32.45 N ATOM 681 CA ARG A 160 18.877 5.756 -21.043 1.00 73.10 C ATOM 682 C ARG A 160 17.756 5.529 -20.033 1.00 33.20 C ATOM 683 O ARG A 160 16.628 5.985 -20.228 1.00 20.51 O ATOM 684 CB ARG A 160 19.812 6.858 -20.543 1.00 41.44 C ATOM 685 CG ARG A 160 21.194 6.818 -21.176 1.00 33.23 C ATOM 686 CD ARG A 160 21.628 8.194 -21.655 1.00 11.24 C ATOM 687 NE ARG A 160 21.297 8.414 -23.060 1.00 15.52 N ATOM 688 CZ ARG A 160 21.698 9.475 -23.752 1.00 62.41 C ATOM 689 NH1 ARG A 160 22.442 10.406 -23.172 1.00 44.13 N ATOM 690 NH2 ARG A 160 21.356 9.604 -25.028 1.00 13.35 N ATOM 0 H ARG A 160 18.113 7.095 -22.465 1.00 32.45 H new ATOM 0 HA ARG A 160 19.442 4.830 -21.148 1.00 73.10 H new ATOM 0 HB2 ARG A 160 19.357 7.828 -20.745 1.00 41.44 H new ATOM 0 HB3 ARG A 160 19.915 6.773 -19.461 1.00 41.44 H new ATOM 0 HG2 ARG A 160 21.916 6.439 -20.452 1.00 33.23 H new ATOM 0 HG3 ARG A 160 21.190 6.124 -22.016 1.00 33.23 H new ATOM 0 HD2 ARG A 160 21.147 8.959 -21.045 1.00 11.24 H new ATOM 0 HD3 ARG A 160 22.703 8.304 -21.514 1.00 11.24 H new ATOM 0 HE ARG A 160 20.727 7.715 -23.536 1.00 15.52 H new ATOM 0 HH11 ARG A 160 22.708 10.309 -22.192 1.00 44.13 H new ATOM 0 HH12 ARG A 160 22.749 11.219 -23.706 1.00 44.13 H new ATOM 0 HH21 ARG A 160 20.785 8.888 -25.478 1.00 13.35 H new ATOM 0 HH22 ARG A 160 21.664 10.419 -25.559 1.00 13.35 H new ATOM 704 N LEU A 161 18.073 4.821 -18.954 1.00 51.43 N ATOM 705 CA LEU A 161 17.093 4.533 -17.913 1.00 73.10 C ATOM 706 C LEU A 161 17.727 4.622 -16.529 1.00 33.44 C ATOM 707 O LEU A 161 18.907 4.946 -16.396 1.00 22.14 O ATOM 708 CB LEU A 161 16.491 3.142 -18.123 1.00 0.23 C ATOM 709 CG LEU A 161 15.669 2.952 -19.398 1.00 20.21 C ATOM 710 CD1 LEU A 161 16.400 2.042 -20.373 1.00 74.30 C ATOM 711 CD2 LEU A 161 14.295 2.389 -19.067 1.00 75.44 C ATOM 0 H LEU A 161 19.001 4.436 -18.778 1.00 51.43 H new ATOM 0 HA LEU A 161 16.301 5.279 -17.978 1.00 73.10 H new ATOM 0 HB2 LEU A 161 17.302 2.414 -18.126 1.00 0.23 H new ATOM 0 HB3 LEU A 161 15.857 2.910 -17.268 1.00 0.23 H new ATOM 0 HG LEU A 161 15.536 3.925 -19.871 1.00 20.21 H new ATOM 0 HD11 LEU A 161 15.800 1.918 -21.275 1.00 74.30 H new ATOM 0 HD12 LEU A 161 17.361 2.486 -20.634 1.00 74.30 H new ATOM 0 HD13 LEU A 161 16.564 1.069 -19.910 1.00 74.30 H new ATOM 0 HD21 LEU A 161 13.723 2.260 -19.986 1.00 75.44 H new ATOM 0 HD22 LEU A 161 14.407 1.425 -18.571 1.00 75.44 H new ATOM 0 HD23 LEU A 161 13.769 3.078 -18.406 1.00 75.44 H new ATOM 723 N ILE A 162 16.936 4.330 -15.502 1.00 31.34 N ATOM 724 CA ILE A 162 17.421 4.373 -14.128 1.00 2.42 C ATOM 725 C ILE A 162 17.695 2.970 -13.597 1.00 3.53 C ATOM 726 O ILE A 162 16.796 2.303 -13.087 1.00 1.01 O ATOM 727 CB ILE A 162 16.414 5.075 -13.197 1.00 63.21 C ATOM 728 CG1 ILE A 162 16.121 6.489 -13.701 1.00 10.52 C ATOM 729 CG2 ILE A 162 16.948 5.114 -11.773 1.00 32.31 C ATOM 730 CD1 ILE A 162 14.934 6.564 -14.636 1.00 64.01 C ATOM 0 H ILE A 162 15.957 4.061 -15.595 1.00 31.34 H new ATOM 0 HA ILE A 162 18.351 4.942 -14.139 1.00 2.42 H new ATOM 0 HB ILE A 162 15.483 4.509 -13.200 1.00 63.21 H new ATOM 0 HG12 ILE A 162 15.941 7.141 -12.846 1.00 10.52 H new ATOM 0 HG13 ILE A 162 17.002 6.873 -14.215 1.00 10.52 H new ATOM 0 HG21 ILE A 162 16.226 5.613 -11.127 1.00 32.31 H new ATOM 0 HG22 ILE A 162 17.111 4.097 -11.417 1.00 32.31 H new ATOM 0 HG23 ILE A 162 17.891 5.661 -11.753 1.00 32.31 H new ATOM 0 HD11 ILE A 162 14.785 7.596 -14.953 1.00 64.01 H new ATOM 0 HD12 ILE A 162 15.119 5.939 -15.510 1.00 64.01 H new ATOM 0 HD13 ILE A 162 14.041 6.211 -14.120 1.00 64.01 H new ATOM 894 N LEU A 173 21.770 -4.671 -8.479 1.00 72.02 N ATOM 895 CA LEU A 173 21.976 -3.833 -9.655 1.00 52.42 C ATOM 896 C LEU A 173 22.700 -2.543 -9.284 1.00 50.51 C ATOM 897 O LEU A 173 22.610 -2.073 -8.150 1.00 51.11 O ATOM 898 CB LEU A 173 20.635 -3.507 -10.315 1.00 13.54 C ATOM 899 CG LEU A 173 19.976 -4.645 -11.094 1.00 53.25 C ATOM 900 CD1 LEU A 173 18.483 -4.395 -11.245 1.00 2.12 C ATOM 901 CD2 LEU A 173 20.631 -4.806 -12.458 1.00 63.52 C ATOM 0 HA LEU A 173 22.596 -4.386 -10.361 1.00 52.42 H new ATOM 0 HB2 LEU A 173 19.943 -3.175 -9.541 1.00 13.54 H new ATOM 0 HB3 LEU A 173 20.782 -2.666 -10.993 1.00 13.54 H new ATOM 0 HG LEU A 173 20.114 -5.570 -10.534 1.00 53.25 H new ATOM 0 HD11 LEU A 173 18.031 -5.216 -11.802 1.00 2.12 H new ATOM 0 HD12 LEU A 173 18.023 -4.330 -10.259 1.00 2.12 H new ATOM 0 HD13 LEU A 173 18.323 -3.460 -11.782 1.00 2.12 H new ATOM 0 HD21 LEU A 173 20.149 -5.621 -12.999 1.00 63.52 H new ATOM 0 HD22 LEU A 173 20.524 -3.881 -13.024 1.00 63.52 H new ATOM 0 HD23 LEU A 173 21.689 -5.032 -12.329 1.00 63.52 H new ATOM 913 N MET A 174 23.416 -1.974 -10.248 1.00 41.43 N ATOM 914 CA MET A 174 24.153 -0.735 -10.023 1.00 71.43 C ATOM 915 C MET A 174 23.490 0.431 -10.749 1.00 42.12 C ATOM 916 O MET A 174 22.592 0.204 -11.559 1.00 23.15 O ATOM 917 CB MET A 174 25.601 -0.886 -10.492 1.00 64.40 C ATOM 918 CG MET A 174 26.625 -0.592 -9.408 1.00 11.45 C ATOM 919 SD MET A 174 28.241 -1.308 -9.764 1.00 53.13 S ATOM 920 CE MET A 174 28.202 -2.766 -8.725 1.00 34.02 C ATOM 0 H MET A 174 23.502 -2.350 -11.192 1.00 41.43 H new ATOM 0 HA MET A 174 24.145 -0.526 -8.953 1.00 71.43 H new ATOM 0 HB2 MET A 174 25.752 -1.902 -10.857 1.00 64.40 H new ATOM 0 HB3 MET A 174 25.773 -0.216 -11.334 1.00 64.40 H new ATOM 0 HG2 MET A 174 26.728 0.487 -9.294 1.00 11.45 H new ATOM 0 HG3 MET A 174 26.262 -0.980 -8.456 1.00 11.45 H new ATOM 0 HE1 MET A 174 29.136 -3.317 -8.835 1.00 34.02 H new ATOM 0 HE2 MET A 174 28.077 -2.468 -7.684 1.00 34.02 H new ATOM 0 HE3 MET A 174 27.369 -3.402 -9.022 1.00 34.02 H new ATOM 930 N CYS A 175 23.941 1.640 -10.448 1.00 51.20 N ATOM 931 CA CYS A 175 23.383 2.825 -11.078 1.00 23.12 C ATOM 932 C CYS A 175 23.952 2.929 -12.495 1.00 32.55 C ATOM 933 O CYS A 175 24.752 2.105 -12.939 1.00 61.43 O ATOM 934 CB CYS A 175 23.662 4.086 -10.257 1.00 61.05 C ATOM 935 SG CYS A 175 22.134 5.081 -10.100 1.00 62.14 S ATOM 0 H CYS A 175 24.686 1.825 -9.776 1.00 51.20 H new ATOM 0 HA CYS A 175 22.298 2.736 -11.129 1.00 23.12 H new ATOM 0 HB2 CYS A 175 24.031 3.812 -9.268 1.00 61.05 H new ATOM 0 HB3 CYS A 175 24.443 4.677 -10.736 1.00 61.05 H new ATOM 0 HG CYS A 175 22.151 5.727 -8.972 1.00 62.14 H new ATOM 940 N LEU A 176 23.517 3.968 -13.199 1.00 64.51 N ATOM 941 CA LEU A 176 23.966 4.206 -14.567 1.00 31.23 C ATOM 942 C LEU A 176 25.480 4.380 -14.621 1.00 3.45 C ATOM 943 O LEU A 176 26.181 3.604 -15.269 1.00 10.20 O ATOM 944 CB LEU A 176 23.277 5.445 -15.142 1.00 25.14 C ATOM 945 CG LEU A 176 23.491 5.700 -16.634 1.00 73.52 C ATOM 946 CD1 LEU A 176 22.468 4.932 -17.458 1.00 2.21 C ATOM 947 CD2 LEU A 176 23.414 7.189 -16.938 1.00 35.34 C ATOM 0 H LEU A 176 22.855 4.659 -12.846 1.00 64.51 H new ATOM 0 HA LEU A 176 23.698 3.337 -15.168 1.00 31.23 H new ATOM 0 HB2 LEU A 176 22.206 5.359 -14.959 1.00 25.14 H new ATOM 0 HB3 LEU A 176 23.625 6.319 -14.591 1.00 25.14 H new ATOM 0 HG LEU A 176 24.486 5.346 -16.905 1.00 73.52 H new ATOM 0 HD11 LEU A 176 22.635 5.125 -18.518 1.00 2.21 H new ATOM 0 HD12 LEU A 176 22.571 3.865 -17.263 1.00 2.21 H new ATOM 0 HD13 LEU A 176 21.464 5.255 -17.184 1.00 2.21 H new ATOM 0 HD21 LEU A 176 23.569 7.351 -18.005 1.00 35.34 H new ATOM 0 HD22 LEU A 176 22.433 7.569 -16.652 1.00 35.34 H new ATOM 0 HD23 LEU A 176 24.185 7.716 -16.375 1.00 35.34 H new ATOM 959 N GLU A 177 25.978 5.404 -13.933 1.00 33.31 N ATOM 960 CA GLU A 177 27.409 5.678 -13.902 1.00 4.41 C ATOM 961 C GLU A 177 27.886 5.919 -12.473 1.00 5.25 C ATOM 962 O GLU A 177 28.562 6.909 -12.190 1.00 11.40 O ATOM 963 CB GLU A 177 27.737 6.894 -14.772 1.00 60.41 C ATOM 964 CG GLU A 177 29.142 6.867 -15.350 1.00 1.51 C ATOM 965 CD GLU A 177 29.515 8.168 -16.036 1.00 22.55 C ATOM 966 OE1 GLU A 177 29.161 8.335 -17.221 1.00 53.13 O ATOM 967 OE2 GLU A 177 30.161 9.017 -15.387 1.00 64.31 O ATOM 0 H GLU A 177 25.411 6.056 -13.391 1.00 33.31 H new ATOM 0 HA GLU A 177 27.928 4.805 -14.298 1.00 4.41 H new ATOM 0 HB2 GLU A 177 27.018 6.950 -15.589 1.00 60.41 H new ATOM 0 HB3 GLU A 177 27.615 7.799 -14.177 1.00 60.41 H new ATOM 0 HG2 GLU A 177 29.856 6.664 -14.552 1.00 1.51 H new ATOM 0 HG3 GLU A 177 29.221 6.048 -16.065 1.00 1.51 H new ATOM 974 N HIS A 178 27.530 5.007 -11.574 1.00 73.32 N ATOM 975 CA HIS A 178 27.921 5.119 -10.174 1.00 32.05 C ATOM 976 C HIS A 178 28.316 3.758 -9.609 1.00 65.21 C ATOM 977 O HIS A 178 27.526 3.105 -8.928 1.00 43.03 O ATOM 978 CB HIS A 178 26.778 5.713 -9.349 1.00 45.42 C ATOM 979 CG HIS A 178 26.395 7.099 -9.769 1.00 3.25 C ATOM 980 ND1 HIS A 178 25.089 7.487 -9.982 1.00 64.13 N ATOM 981 CD2 HIS A 178 27.155 8.192 -10.012 1.00 44.50 C ATOM 982 CE1 HIS A 178 25.063 8.758 -10.341 1.00 11.02 C ATOM 983 NE2 HIS A 178 26.304 9.210 -10.366 1.00 73.10 N ATOM 0 H HIS A 178 26.971 4.182 -11.791 1.00 73.32 H new ATOM 0 HA HIS A 178 28.784 5.782 -10.116 1.00 32.05 H new ATOM 0 HB2 HIS A 178 25.906 5.064 -9.430 1.00 45.42 H new ATOM 0 HB3 HIS A 178 27.068 5.727 -8.298 1.00 45.42 H new ATOM 0 HD2 HIS A 178 28.231 8.252 -9.941 1.00 44.50 H new ATOM 0 HE1 HIS A 178 24.177 9.330 -10.574 1.00 11.02 H new ATOM 0 HE2 HIS A 178 26.584 10.160 -10.609 1.00 73.10 H new ATOM 990 N GLU A 179 29.544 3.337 -9.898 1.00 71.30 N ATOM 991 CA GLU A 179 30.042 2.052 -9.420 1.00 44.50 C ATOM 992 C GLU A 179 30.482 2.148 -7.962 1.00 11.02 C ATOM 993 O GLU A 179 30.344 1.193 -7.197 1.00 11.20 O ATOM 994 CB GLU A 179 31.211 1.580 -10.287 1.00 25.45 C ATOM 995 CG GLU A 179 32.337 2.594 -10.396 1.00 4.02 C ATOM 996 CD GLU A 179 33.627 2.105 -9.765 1.00 33.21 C ATOM 997 OE1 GLU A 179 33.554 1.320 -8.796 1.00 55.15 O ATOM 998 OE2 GLU A 179 34.709 2.507 -10.241 1.00 1.23 O ATOM 0 H GLU A 179 30.211 3.866 -10.460 1.00 71.30 H new ATOM 0 HA GLU A 179 29.231 1.327 -9.490 1.00 44.50 H new ATOM 0 HB2 GLU A 179 31.607 0.653 -9.874 1.00 25.45 H new ATOM 0 HB3 GLU A 179 30.842 1.351 -11.287 1.00 25.45 H new ATOM 0 HG2 GLU A 179 32.515 2.822 -11.447 1.00 4.02 H new ATOM 0 HG3 GLU A 179 32.032 3.523 -9.915 1.00 4.02 H new ATOM 1005 N ASP A 180 31.012 3.306 -7.585 1.00 12.33 N ATOM 1006 CA ASP A 180 31.471 3.528 -6.219 1.00 5.04 C ATOM 1007 C ASP A 180 30.294 3.571 -5.249 1.00 43.44 C ATOM 1008 O ASP A 180 30.452 3.321 -4.055 1.00 64.31 O ATOM 1009 CB ASP A 180 32.268 4.831 -6.131 1.00 65.51 C ATOM 1010 CG ASP A 180 32.659 5.176 -4.707 1.00 70.25 C ATOM 1011 OD1 ASP A 180 33.698 4.668 -4.238 1.00 23.40 O ATOM 1012 OD2 ASP A 180 31.925 5.954 -4.062 1.00 73.45 O ATOM 0 H ASP A 180 31.134 4.106 -8.206 1.00 12.33 H new ATOM 0 HA ASP A 180 32.118 2.696 -5.940 1.00 5.04 H new ATOM 0 HB2 ASP A 180 33.167 4.745 -6.741 1.00 65.51 H new ATOM 0 HB3 ASP A 180 31.676 5.645 -6.549 1.00 65.51 H new ATOM 1017 N GLU A 181 29.115 3.892 -5.772 1.00 50.35 N ATOM 1018 CA GLU A 181 27.912 3.970 -4.952 1.00 50.41 C ATOM 1019 C GLU A 181 26.777 3.161 -5.573 1.00 12.31 C ATOM 1020 O GLU A 181 26.303 3.472 -6.666 1.00 71.30 O ATOM 1021 CB GLU A 181 27.479 5.428 -4.780 1.00 21.24 C ATOM 1022 CG GLU A 181 27.193 5.811 -3.337 1.00 50.14 C ATOM 1023 CD GLU A 181 25.750 5.561 -2.943 1.00 25.05 C ATOM 1024 OE1 GLU A 181 25.443 4.433 -2.504 1.00 23.34 O ATOM 1025 OE2 GLU A 181 24.929 6.492 -3.073 1.00 1.35 O ATOM 0 H GLU A 181 28.967 4.102 -6.759 1.00 50.35 H new ATOM 0 HA GLU A 181 28.142 3.549 -3.973 1.00 50.41 H new ATOM 0 HB2 GLU A 181 28.260 6.079 -5.172 1.00 21.24 H new ATOM 0 HB3 GLU A 181 26.586 5.606 -5.378 1.00 21.24 H new ATOM 0 HG2 GLU A 181 27.850 5.244 -2.677 1.00 50.14 H new ATOM 0 HG3 GLU A 181 27.428 6.865 -3.191 1.00 50.14 H new ATOM 1032 N LYS A 182 26.345 2.121 -4.868 1.00 1.24 N ATOM 1033 CA LYS A 182 25.265 1.266 -5.347 1.00 5.33 C ATOM 1034 C LYS A 182 23.905 1.873 -5.019 1.00 51.11 C ATOM 1035 O LYS A 182 23.814 2.866 -4.297 1.00 24.12 O ATOM 1036 CB LYS A 182 25.377 -0.128 -4.725 1.00 41.33 C ATOM 1037 CG LYS A 182 25.739 -1.212 -5.725 1.00 61.23 C ATOM 1038 CD LYS A 182 26.201 -2.481 -5.029 1.00 24.02 C ATOM 1039 CE LYS A 182 25.755 -3.725 -5.782 1.00 15.31 C ATOM 1040 NZ LYS A 182 24.818 -4.555 -4.975 1.00 51.02 N ATOM 0 H LYS A 182 26.727 1.850 -3.962 1.00 1.24 H new ATOM 0 HA LYS A 182 25.354 1.182 -6.430 1.00 5.33 H new ATOM 0 HB2 LYS A 182 26.130 -0.106 -3.937 1.00 41.33 H new ATOM 0 HB3 LYS A 182 24.429 -0.383 -4.252 1.00 41.33 H new ATOM 0 HG2 LYS A 182 24.875 -1.434 -6.351 1.00 61.23 H new ATOM 0 HG3 LYS A 182 26.527 -0.851 -6.385 1.00 61.23 H new ATOM 0 HD2 LYS A 182 27.288 -2.476 -4.945 1.00 24.02 H new ATOM 0 HD3 LYS A 182 25.803 -2.506 -4.015 1.00 24.02 H new ATOM 0 HE2 LYS A 182 25.271 -3.432 -6.713 1.00 15.31 H new ATOM 0 HE3 LYS A 182 26.628 -4.320 -6.050 1.00 15.31 H new ATOM 0 HZ1 LYS A 182 24.537 -5.393 -5.523 1.00 51.02 H new ATOM 0 HZ2 LYS A 182 25.289 -4.856 -4.098 1.00 51.02 H new ATOM 0 HZ3 LYS A 182 23.973 -3.996 -4.740 1.00 51.02 H new ATOM 1054 N VAL A 183 22.848 1.269 -5.554 1.00 3.03 N ATOM 1055 CA VAL A 183 21.492 1.748 -5.316 1.00 0.42 C ATOM 1056 C VAL A 183 20.975 1.283 -3.959 1.00 73.03 C ATOM 1057 O VAL A 183 20.906 0.085 -3.688 1.00 3.14 O ATOM 1058 CB VAL A 183 20.526 1.267 -6.414 1.00 72.33 C ATOM 1059 CG1 VAL A 183 20.847 1.939 -7.741 1.00 21.35 C ATOM 1060 CG2 VAL A 183 20.583 -0.248 -6.547 1.00 12.41 C ATOM 0 H VAL A 183 22.905 0.447 -6.155 1.00 3.03 H new ATOM 0 HA VAL A 183 21.534 2.837 -5.332 1.00 0.42 H new ATOM 0 HB VAL A 183 19.512 1.547 -6.129 1.00 72.33 H new ATOM 0 HG11 VAL A 183 20.154 1.586 -8.505 1.00 21.35 H new ATOM 0 HG12 VAL A 183 20.750 3.019 -7.634 1.00 21.35 H new ATOM 0 HG13 VAL A 183 21.867 1.693 -8.036 1.00 21.35 H new ATOM 0 HG21 VAL A 183 19.894 -0.571 -7.327 1.00 12.41 H new ATOM 0 HG22 VAL A 183 21.596 -0.552 -6.809 1.00 12.41 H new ATOM 0 HG23 VAL A 183 20.299 -0.707 -5.600 1.00 12.41 H new ATOM 1070 N ASN A 184 20.611 2.239 -3.111 1.00 52.31 N ATOM 1071 CA ASN A 184 20.099 1.927 -1.782 1.00 1.45 C ATOM 1072 C ASN A 184 18.867 2.768 -1.462 1.00 11.52 C ATOM 1073 O ASN A 184 18.517 2.957 -0.297 1.00 41.21 O ATOM 1074 CB ASN A 184 21.181 2.167 -0.727 1.00 23.53 C ATOM 1075 CG ASN A 184 21.855 3.516 -0.885 1.00 14.22 C ATOM 1076 OD1 ASN A 184 21.226 4.560 -0.710 1.00 51.23 O ATOM 1077 ND2 ASN A 184 23.140 3.500 -1.217 1.00 41.53 N ATOM 0 H ASN A 184 20.661 3.236 -3.320 1.00 52.31 H new ATOM 0 HA ASN A 184 19.813 0.875 -1.768 1.00 1.45 H new ATOM 0 HB2 ASN A 184 20.737 2.100 0.266 1.00 23.53 H new ATOM 0 HB3 ASN A 184 21.931 1.379 -0.795 1.00 23.53 H new ATOM 0 HD21 ASN A 184 23.647 4.377 -1.337 1.00 41.53 H new ATOM 0 HD22 ASN A 184 23.621 2.611 -1.352 1.00 41.53 H new ATOM 1084 N MET A 185 18.213 3.271 -2.504 1.00 62.43 N ATOM 1085 CA MET A 185 17.019 4.090 -2.334 1.00 71.04 C ATOM 1086 C MET A 185 15.947 3.705 -3.349 1.00 52.20 C ATOM 1087 O MET A 185 16.195 2.912 -4.257 1.00 75.14 O ATOM 1088 CB MET A 185 17.367 5.573 -2.480 1.00 73.30 C ATOM 1089 CG MET A 185 17.760 6.236 -1.170 1.00 44.02 C ATOM 1090 SD MET A 185 16.860 7.769 -0.870 1.00 11.01 S ATOM 1091 CE MET A 185 17.934 8.565 0.322 1.00 22.20 C ATOM 0 H MET A 185 18.490 3.126 -3.475 1.00 62.43 H new ATOM 0 HA MET A 185 16.627 3.913 -1.333 1.00 71.04 H new ATOM 0 HB2 MET A 185 18.187 5.677 -3.191 1.00 73.30 H new ATOM 0 HB3 MET A 185 16.511 6.099 -2.902 1.00 73.30 H new ATOM 0 HG2 MET A 185 17.576 5.544 -0.348 1.00 44.02 H new ATOM 0 HG3 MET A 185 18.830 6.443 -1.179 1.00 44.02 H new ATOM 0 HE1 MET A 185 17.357 9.275 0.914 1.00 22.20 H new ATOM 0 HE2 MET A 185 18.368 7.812 0.980 1.00 22.20 H new ATOM 0 HE3 MET A 185 18.731 9.093 -0.202 1.00 22.20 H new ATOM 1101 N TYR A 186 14.756 4.271 -3.188 1.00 41.51 N ATOM 1102 CA TYR A 186 13.646 3.985 -4.089 1.00 13.23 C ATOM 1103 C TYR A 186 12.879 5.259 -4.431 1.00 4.31 C ATOM 1104 O TYR A 186 12.565 6.035 -3.530 1.00 4.25 O ATOM 1105 CB TYR A 186 12.700 2.962 -3.457 1.00 41.20 C ATOM 1106 CG TYR A 186 11.559 2.553 -4.361 1.00 43.11 C ATOM 1107 CD1 TYR A 186 11.777 1.730 -5.459 1.00 4.10 C ATOM 1108 CD2 TYR A 186 10.263 2.989 -4.117 1.00 33.04 C ATOM 1109 CE1 TYR A 186 10.738 1.355 -6.288 1.00 22.40 C ATOM 1110 CE2 TYR A 186 9.217 2.617 -4.939 1.00 40.34 C ATOM 1111 CZ TYR A 186 9.460 1.800 -6.024 1.00 11.50 C ATOM 1112 OH TYR A 186 8.422 1.428 -6.847 1.00 33.54 O ATOM 0 H TYR A 186 14.535 4.930 -2.442 1.00 41.51 H new ATOM 0 HA TYR A 186 14.057 3.571 -5.010 1.00 13.23 H new ATOM 0 HB2 TYR A 186 13.270 2.075 -3.181 1.00 41.20 H new ATOM 0 HB3 TYR A 186 12.292 3.378 -2.536 1.00 41.20 H new ATOM 0 HD1 TYR A 186 12.776 1.377 -5.668 1.00 4.10 H new ATOM 0 HD2 TYR A 186 10.070 3.630 -3.270 1.00 33.04 H new ATOM 0 HE1 TYR A 186 10.926 0.717 -7.139 1.00 22.40 H new ATOM 0 HE2 TYR A 186 8.215 2.964 -4.734 1.00 40.34 H new ATOM 0 HH TYR A 186 8.782 1.048 -7.676 1.00 33.54 H new ATOM 1122 N CYS A 187 12.598 5.444 -5.712 1.00 50.33 N ATOM 1123 CA CYS A 187 11.871 6.622 -6.157 1.00 25.45 C ATOM 1124 C CYS A 187 10.440 6.203 -6.496 1.00 73.23 C ATOM 1125 O CYS A 187 10.193 5.183 -7.140 1.00 52.02 O ATOM 1126 CB CYS A 187 12.564 7.300 -7.340 1.00 53.33 C ATOM 1127 SG CYS A 187 11.631 8.794 -7.839 1.00 32.25 S ATOM 0 H CYS A 187 12.860 4.798 -6.457 1.00 50.33 H new ATOM 0 HA CYS A 187 11.851 7.364 -5.359 1.00 25.45 H new ATOM 0 HB2 CYS A 187 13.584 7.572 -7.068 1.00 53.33 H new ATOM 0 HB3 CYS A 187 12.632 6.607 -8.178 1.00 53.33 H new ATOM 0 HG CYS A 187 12.413 9.593 -8.502 1.00 32.25 H new ATOM 1132 N VAL A 188 9.493 7.020 -6.045 1.00 63.00 N ATOM 1133 CA VAL A 188 8.079 6.760 -6.287 1.00 63.32 C ATOM 1134 C VAL A 188 7.652 7.275 -7.657 1.00 3.42 C ATOM 1135 O VAL A 188 7.052 6.547 -8.448 1.00 41.21 O ATOM 1136 CB VAL A 188 7.196 7.411 -5.207 1.00 54.31 C ATOM 1137 CG1 VAL A 188 5.724 7.154 -5.494 1.00 41.11 C ATOM 1138 CG2 VAL A 188 7.576 6.897 -3.827 1.00 12.32 C ATOM 0 H VAL A 188 9.680 7.868 -5.510 1.00 63.00 H new ATOM 0 HA VAL A 188 7.945 5.679 -6.251 1.00 63.32 H new ATOM 0 HB VAL A 188 7.363 8.488 -5.227 1.00 54.31 H new ATOM 0 HG11 VAL A 188 5.115 7.622 -4.720 1.00 41.11 H new ATOM 0 HG12 VAL A 188 5.464 7.576 -6.465 1.00 41.11 H new ATOM 0 HG13 VAL A 188 5.537 6.080 -5.503 1.00 41.11 H new ATOM 0 HG21 VAL A 188 6.942 7.368 -3.076 1.00 12.32 H new ATOM 0 HG22 VAL A 188 7.440 5.816 -3.791 1.00 12.32 H new ATOM 0 HG23 VAL A 188 8.619 7.138 -3.624 1.00 12.32 H new ATOM 1148 N THR A 189 7.966 8.538 -7.932 1.00 61.31 N ATOM 1149 CA THR A 189 7.615 9.152 -9.206 1.00 52.21 C ATOM 1150 C THR A 189 8.080 8.295 -10.377 1.00 61.42 C ATOM 1151 O THR A 189 7.464 8.295 -11.443 1.00 50.50 O ATOM 1152 CB THR A 189 8.228 10.559 -9.339 1.00 52.02 C ATOM 1153 OG1 THR A 189 7.801 11.385 -8.250 1.00 73.30 O ATOM 1154 CG2 THR A 189 7.825 11.202 -10.658 1.00 5.12 C ATOM 0 H THR A 189 8.463 9.155 -7.289 1.00 61.31 H new ATOM 0 HA THR A 189 6.528 9.233 -9.228 1.00 52.21 H new ATOM 0 HB THR A 189 9.313 10.462 -9.316 1.00 52.02 H new ATOM 0 HG1 THR A 189 8.197 12.277 -8.341 1.00 73.30 H new ATOM 0 HG21 THR A 189 8.269 12.195 -10.730 1.00 5.12 H new ATOM 0 HG22 THR A 189 8.177 10.586 -11.486 1.00 5.12 H new ATOM 0 HG23 THR A 189 6.739 11.286 -10.705 1.00 5.12 H new ATOM 1162 N ASP A 190 9.170 7.563 -10.172 1.00 41.34 N ATOM 1163 CA ASP A 190 9.717 6.699 -11.212 1.00 22.24 C ATOM 1164 C ASP A 190 9.389 5.236 -10.930 1.00 24.12 C ATOM 1165 O ASP A 190 9.389 4.404 -11.837 1.00 72.30 O ATOM 1166 CB ASP A 190 11.232 6.884 -11.314 1.00 10.41 C ATOM 1167 CG ASP A 190 11.618 8.306 -11.672 1.00 2.02 C ATOM 1168 OD1 ASP A 190 10.737 9.062 -12.132 1.00 63.31 O ATOM 1169 OD2 ASP A 190 12.802 8.663 -11.492 1.00 73.34 O ATOM 0 H ASP A 190 9.692 7.551 -9.296 1.00 41.34 H new ATOM 0 HA ASP A 190 9.260 6.979 -12.161 1.00 22.24 H new ATOM 0 HB2 ASP A 190 11.693 6.613 -10.364 1.00 10.41 H new ATOM 0 HB3 ASP A 190 11.629 6.202 -12.066 1.00 10.41 H new ATOM 1174 N ASP A 191 9.112 4.930 -9.667 1.00 63.32 N ATOM 1175 CA ASP A 191 8.783 3.567 -9.265 1.00 51.14 C ATOM 1176 C ASP A 191 9.963 2.630 -9.503 1.00 50.12 C ATOM 1177 O ASP A 191 9.780 1.450 -9.801 1.00 52.22 O ATOM 1178 CB ASP A 191 7.557 3.069 -10.033 1.00 22.43 C ATOM 1179 CG ASP A 191 6.771 2.031 -9.256 1.00 73.02 C ATOM 1180 OD1 ASP A 191 7.199 0.859 -9.231 1.00 64.41 O ATOM 1181 OD2 ASP A 191 5.726 2.391 -8.674 1.00 52.13 O ATOM 0 H ASP A 191 9.109 5.607 -8.904 1.00 63.32 H new ATOM 0 HA ASP A 191 8.557 3.573 -8.199 1.00 51.14 H new ATOM 0 HB2 ASP A 191 6.908 3.914 -10.264 1.00 22.43 H new ATOM 0 HB3 ASP A 191 7.876 2.642 -10.984 1.00 22.43 H new ATOM 1186 N GLN A 192 11.173 3.165 -9.370 1.00 74.42 N ATOM 1187 CA GLN A 192 12.382 2.376 -9.573 1.00 22.15 C ATOM 1188 C GLN A 192 13.364 2.580 -8.423 1.00 52.34 C ATOM 1189 O GLN A 192 13.115 3.374 -7.514 1.00 65.53 O ATOM 1190 CB GLN A 192 13.046 2.752 -10.899 1.00 35.24 C ATOM 1191 CG GLN A 192 12.842 1.718 -11.995 1.00 4.41 C ATOM 1192 CD GLN A 192 14.144 1.297 -12.648 1.00 20.54 C ATOM 1193 OE1 GLN A 192 15.028 0.740 -11.995 1.00 14.32 O ATOM 1194 NE2 GLN A 192 14.269 1.559 -13.943 1.00 43.22 N ATOM 0 H GLN A 192 11.342 4.140 -9.123 1.00 74.42 H new ATOM 0 HA GLN A 192 12.098 1.324 -9.603 1.00 22.15 H new ATOM 0 HB2 GLN A 192 12.649 3.710 -11.236 1.00 35.24 H new ATOM 0 HB3 GLN A 192 14.115 2.890 -10.735 1.00 35.24 H new ATOM 0 HG2 GLN A 192 12.350 0.841 -11.575 1.00 4.41 H new ATOM 0 HG3 GLN A 192 12.174 2.125 -12.754 1.00 4.41 H new ATOM 0 HE21 GLN A 192 13.511 2.022 -14.445 1.00 43.22 H new ATOM 0 HE22 GLN A 192 15.123 1.297 -14.436 1.00 43.22 H new ATOM 1203 N LEU A 193 14.479 1.860 -8.470 1.00 1.14 N ATOM 1204 CA LEU A 193 15.499 1.962 -7.432 1.00 3.02 C ATOM 1205 C LEU A 193 16.582 2.960 -7.829 1.00 2.12 C ATOM 1206 O LEU A 193 16.958 3.050 -8.998 1.00 4.21 O ATOM 1207 CB LEU A 193 16.125 0.591 -7.168 1.00 10.42 C ATOM 1208 CG LEU A 193 15.237 -0.424 -6.448 1.00 22.32 C ATOM 1209 CD1 LEU A 193 15.643 -1.843 -6.816 1.00 33.13 C ATOM 1210 CD2 LEU A 193 15.308 -0.221 -4.941 1.00 72.14 C ATOM 0 H LEU A 193 14.700 1.199 -9.215 1.00 1.14 H new ATOM 0 HA LEU A 193 15.020 2.318 -6.520 1.00 3.02 H new ATOM 0 HB2 LEU A 193 16.431 0.163 -8.123 1.00 10.42 H new ATOM 0 HB3 LEU A 193 17.030 0.735 -6.578 1.00 10.42 H new ATOM 0 HG LEU A 193 14.207 -0.268 -6.767 1.00 22.32 H new ATOM 0 HD11 LEU A 193 15.000 -2.552 -6.294 1.00 33.13 H new ATOM 0 HD12 LEU A 193 15.540 -1.983 -7.892 1.00 33.13 H new ATOM 0 HD13 LEU A 193 16.680 -2.012 -6.526 1.00 33.13 H new ATOM 0 HD21 LEU A 193 14.670 -0.952 -4.445 1.00 72.14 H new ATOM 0 HD22 LEU A 193 16.337 -0.350 -4.605 1.00 72.14 H new ATOM 0 HD23 LEU A 193 14.968 0.785 -4.693 1.00 72.14 H new ATOM 1222 N ILE A 194 17.080 3.706 -6.848 1.00 64.24 N ATOM 1223 CA ILE A 194 18.122 4.695 -7.095 1.00 65.44 C ATOM 1224 C ILE A 194 19.174 4.673 -5.991 1.00 71.21 C ATOM 1225 O ILE A 194 19.044 3.890 -5.051 1.00 40.11 O ATOM 1226 CB ILE A 194 17.537 6.115 -7.203 1.00 72.11 C ATOM 1227 CG1 ILE A 194 16.879 6.520 -5.883 1.00 14.24 C ATOM 1228 CG2 ILE A 194 16.535 6.189 -8.345 1.00 53.44 C ATOM 1229 CD1 ILE A 194 16.431 7.965 -5.849 1.00 33.40 C ATOM 0 H ILE A 194 16.779 3.644 -5.875 1.00 64.24 H new ATOM 0 HA ILE A 194 18.589 4.431 -8.044 1.00 65.44 H new ATOM 0 HB ILE A 194 18.349 6.812 -7.412 1.00 72.11 H new ATOM 0 HG12 ILE A 194 16.018 5.877 -5.703 1.00 14.24 H new ATOM 0 HG13 ILE A 194 17.582 6.347 -5.068 1.00 14.24 H new ATOM 0 HG21 ILE A 194 16.130 7.199 -8.409 1.00 53.44 H new ATOM 0 HG22 ILE A 194 17.032 5.937 -9.282 1.00 53.44 H new ATOM 0 HG23 ILE A 194 15.724 5.484 -8.164 1.00 53.44 H new ATOM 0 HD11 ILE A 194 15.974 8.182 -4.884 1.00 33.40 H new ATOM 0 HD12 ILE A 194 17.292 8.617 -5.997 1.00 33.40 H new ATOM 0 HD13 ILE A 194 15.704 8.139 -6.642 1.00 33.40 H new ATOM 1241 N CYS A 195 20.180 5.524 -6.126 1.00 25.34 N ATOM 1242 CA CYS A 195 21.240 5.593 -5.133 1.00 72.45 C ATOM 1243 C CYS A 195 21.151 6.948 -4.430 1.00 5.33 C ATOM 1244 O CYS A 195 20.701 7.947 -4.991 1.00 21.50 O ATOM 1245 CB CYS A 195 22.617 5.363 -5.759 1.00 51.25 C ATOM 1246 SG CYS A 195 23.073 6.791 -6.809 1.00 2.43 S ATOM 0 H CYS A 195 20.284 6.172 -6.907 1.00 25.34 H new ATOM 0 HA CYS A 195 21.109 4.796 -4.401 1.00 72.45 H new ATOM 0 HB2 CYS A 195 23.363 5.224 -4.976 1.00 51.25 H new ATOM 0 HB3 CYS A 195 22.607 4.451 -6.356 1.00 51.25 H new ATOM 0 HG CYS A 195 22.061 7.122 -7.554 1.00 2.43 H new ATOM 1251 N ALA A 196 21.595 6.961 -3.177 1.00 64.21 N ATOM 1252 CA ALA A 196 21.580 8.177 -2.373 1.00 61.34 C ATOM 1253 C ALA A 196 22.344 9.301 -3.065 1.00 14.34 C ATOM 1254 O ALA A 196 22.040 10.480 -2.875 1.00 74.12 O ATOM 1255 CB ALA A 196 22.167 7.906 -0.996 1.00 42.40 C ATOM 0 H ALA A 196 21.970 6.143 -2.697 1.00 64.21 H new ATOM 0 HA ALA A 196 20.544 8.495 -2.257 1.00 61.34 H new ATOM 0 HB1 ALA A 196 22.150 8.823 -0.406 1.00 42.40 H new ATOM 0 HB2 ALA A 196 21.577 7.140 -0.493 1.00 42.40 H new ATOM 0 HB3 ALA A 196 23.196 7.561 -1.100 1.00 42.40 H new ATOM 1261 N LEU A 197 23.336 8.931 -3.866 1.00 24.34 N ATOM 1262 CA LEU A 197 24.145 9.909 -4.585 1.00 52.01 C ATOM 1263 C LEU A 197 23.330 10.588 -5.681 1.00 12.51 C ATOM 1264 O LEU A 197 23.697 11.679 -6.116 1.00 62.44 O ATOM 1265 CB LEU A 197 25.376 9.234 -5.193 1.00 53.52 C ATOM 1266 CG LEU A 197 26.451 10.171 -5.745 1.00 13.50 C ATOM 1267 CD1 LEU A 197 27.402 10.602 -4.639 1.00 62.04 C ATOM 1268 CD2 LEU A 197 27.214 9.499 -6.877 1.00 4.24 C ATOM 0 H LEU A 197 23.600 7.960 -4.034 1.00 24.34 H new ATOM 0 HA LEU A 197 24.469 10.669 -3.874 1.00 52.01 H new ATOM 0 HB2 LEU A 197 25.831 8.600 -4.432 1.00 53.52 H new ATOM 0 HB3 LEU A 197 25.045 8.578 -5.998 1.00 53.52 H new ATOM 0 HG LEU A 197 25.962 11.061 -6.142 1.00 13.50 H new ATOM 0 HD11 LEU A 197 28.160 11.268 -5.050 1.00 62.04 H new ATOM 0 HD12 LEU A 197 26.844 11.124 -3.862 1.00 62.04 H new ATOM 0 HD13 LEU A 197 27.885 9.723 -4.211 1.00 62.04 H new ATOM 0 HD21 LEU A 197 27.975 10.180 -7.258 1.00 4.24 H new ATOM 0 HD22 LEU A 197 27.692 8.592 -6.506 1.00 4.24 H new ATOM 0 HD23 LEU A 197 26.523 9.242 -7.680 1.00 4.24 H new ATOM 1280 N CYS A 198 22.252 9.939 -6.096 1.00 63.13 N ATOM 1281 CA CYS A 198 21.399 10.492 -7.134 1.00 61.44 C ATOM 1282 C CYS A 198 20.482 11.537 -6.496 1.00 75.53 C ATOM 1283 O CYS A 198 20.195 12.590 -7.066 1.00 22.04 O ATOM 1284 CB CYS A 198 20.606 9.400 -7.856 1.00 31.14 C ATOM 1285 SG CYS A 198 21.558 8.778 -9.289 1.00 25.41 S ATOM 0 H CYS A 198 21.950 9.035 -5.732 1.00 63.13 H new ATOM 0 HA CYS A 198 22.013 10.968 -7.898 1.00 61.44 H new ATOM 0 HB2 CYS A 198 20.391 8.581 -7.169 1.00 31.14 H new ATOM 0 HB3 CYS A 198 19.647 9.796 -8.190 1.00 31.14 H new ATOM 0 HG CYS A 198 22.695 8.298 -8.880 1.00 25.41 H new ATOM 1290 N LYS A 199 20.023 11.219 -5.290 1.00 53.44 N ATOM 1291 CA LYS A 199 19.138 12.110 -4.549 1.00 41.41 C ATOM 1292 C LYS A 199 19.905 13.315 -4.011 1.00 72.54 C ATOM 1293 O LYS A 199 19.327 14.377 -3.777 1.00 22.13 O ATOM 1294 CB LYS A 199 18.474 11.358 -3.394 1.00 11.02 C ATOM 1295 CG LYS A 199 17.153 11.965 -2.952 1.00 63.33 C ATOM 1296 CD LYS A 199 16.888 11.711 -1.478 1.00 4.03 C ATOM 1297 CE LYS A 199 17.240 12.925 -0.631 1.00 65.33 C ATOM 1298 NZ LYS A 199 18.670 12.914 -0.214 1.00 50.21 N ATOM 0 H LYS A 199 20.249 10.351 -4.805 1.00 53.44 H new ATOM 0 HA LYS A 199 18.368 12.467 -5.232 1.00 41.41 H new ATOM 0 HB2 LYS A 199 18.307 10.323 -3.694 1.00 11.02 H new ATOM 0 HB3 LYS A 199 19.157 11.337 -2.545 1.00 11.02 H new ATOM 0 HG2 LYS A 199 17.164 13.038 -3.141 1.00 63.33 H new ATOM 0 HG3 LYS A 199 16.342 11.545 -3.546 1.00 63.33 H new ATOM 0 HD2 LYS A 199 15.838 11.458 -1.334 1.00 4.03 H new ATOM 0 HD3 LYS A 199 17.471 10.852 -1.145 1.00 4.03 H new ATOM 0 HE2 LYS A 199 17.033 13.834 -1.196 1.00 65.33 H new ATOM 0 HE3 LYS A 199 16.604 12.948 0.254 1.00 65.33 H new ATOM 0 HZ1 LYS A 199 18.870 13.757 0.361 1.00 50.21 H new ATOM 0 HZ2 LYS A 199 18.862 12.059 0.346 1.00 50.21 H new ATOM 0 HZ3 LYS A 199 19.278 12.918 -1.058 1.00 50.21 H new ATOM 1312 N LEU A 200 21.208 13.143 -3.820 1.00 30.34 N ATOM 1313 CA LEU A 200 22.055 14.216 -3.311 1.00 14.31 C ATOM 1314 C LEU A 200 22.355 15.237 -4.404 1.00 14.33 C ATOM 1315 O LEU A 200 22.152 16.437 -4.219 1.00 54.53 O ATOM 1316 CB LEU A 200 23.361 13.644 -2.759 1.00 64.01 C ATOM 1317 CG LEU A 200 23.952 14.366 -1.548 1.00 12.25 C ATOM 1318 CD1 LEU A 200 23.487 13.710 -0.256 1.00 50.55 C ATOM 1319 CD2 LEU A 200 25.472 14.381 -1.623 1.00 75.45 C ATOM 0 H LEU A 200 21.701 12.271 -4.010 1.00 30.34 H new ATOM 0 HA LEU A 200 21.518 14.719 -2.507 1.00 14.31 H new ATOM 0 HB2 LEU A 200 23.192 12.602 -2.488 1.00 64.01 H new ATOM 0 HB3 LEU A 200 24.103 13.650 -3.558 1.00 64.01 H new ATOM 0 HG LEU A 200 23.598 15.397 -1.557 1.00 12.25 H new ATOM 0 HD11 LEU A 200 23.918 14.237 0.595 1.00 50.55 H new ATOM 0 HD12 LEU A 200 22.399 13.753 -0.197 1.00 50.55 H new ATOM 0 HD13 LEU A 200 23.810 12.669 -0.239 1.00 50.55 H new ATOM 0 HD21 LEU A 200 25.874 14.899 -0.752 1.00 75.45 H new ATOM 0 HD22 LEU A 200 25.846 13.357 -1.640 1.00 75.45 H new ATOM 0 HD23 LEU A 200 25.786 14.897 -2.530 1.00 75.45 H new ATOM 1331 N VAL A 201 22.837 14.752 -5.543 1.00 43.33 N ATOM 1332 CA VAL A 201 23.162 15.622 -6.668 1.00 22.14 C ATOM 1333 C VAL A 201 21.979 16.511 -7.034 1.00 45.40 C ATOM 1334 O VAL A 201 22.149 17.688 -7.352 1.00 71.43 O ATOM 1335 CB VAL A 201 23.580 14.806 -7.906 1.00 0.44 C ATOM 1336 CG1 VAL A 201 23.880 15.729 -9.077 1.00 11.31 C ATOM 1337 CG2 VAL A 201 24.782 13.930 -7.585 1.00 53.32 C ATOM 0 H VAL A 201 23.011 13.761 -5.712 1.00 43.33 H new ATOM 0 HA VAL A 201 23.999 16.246 -6.355 1.00 22.14 H new ATOM 0 HB VAL A 201 22.751 14.157 -8.189 1.00 0.44 H new ATOM 0 HG11 VAL A 201 24.174 15.135 -9.943 1.00 11.31 H new ATOM 0 HG12 VAL A 201 22.990 16.309 -9.320 1.00 11.31 H new ATOM 0 HG13 VAL A 201 24.692 16.405 -8.809 1.00 11.31 H new ATOM 0 HG21 VAL A 201 25.064 13.360 -8.471 1.00 53.32 H new ATOM 0 HG22 VAL A 201 25.618 14.558 -7.276 1.00 53.32 H new ATOM 0 HG23 VAL A 201 24.527 13.243 -6.778 1.00 53.32 H new ATOM 1347 N GLY A 202 20.779 15.941 -6.986 1.00 64.43 N ATOM 1348 CA GLY A 202 19.585 16.696 -7.315 1.00 50.34 C ATOM 1349 C GLY A 202 18.679 15.958 -8.281 1.00 64.10 C ATOM 1350 O GLY A 202 17.511 16.311 -8.439 1.00 74.44 O ATOM 0 H GLY A 202 20.613 14.969 -6.725 1.00 64.43 H new ATOM 0 HA2 GLY A 202 19.034 16.915 -6.400 1.00 50.34 H new ATOM 0 HA3 GLY A 202 19.873 17.653 -7.751 1.00 50.34 H new ATOM 1354 N ARG A 203 19.220 14.931 -8.929 1.00 50.55 N ATOM 1355 CA ARG A 203 18.453 14.143 -9.887 1.00 44.50 C ATOM 1356 C ARG A 203 17.142 13.665 -9.271 1.00 54.52 C ATOM 1357 O ARG A 203 16.139 13.505 -9.968 1.00 31.43 O ATOM 1358 CB ARG A 203 19.273 12.943 -10.364 1.00 32.23 C ATOM 1359 CG ARG A 203 20.262 13.280 -11.467 1.00 4.21 C ATOM 1360 CD ARG A 203 21.285 12.171 -11.656 1.00 63.00 C ATOM 1361 NE ARG A 203 22.627 12.698 -11.893 1.00 74.01 N ATOM 1362 CZ ARG A 203 23.609 11.989 -12.438 1.00 51.34 C ATOM 1363 NH1 ARG A 203 23.401 10.731 -12.802 1.00 15.34 N ATOM 1364 NH2 ARG A 203 24.802 12.539 -12.622 1.00 45.10 N ATOM 0 H ARG A 203 20.186 14.625 -8.808 1.00 50.55 H new ATOM 0 HA ARG A 203 18.222 14.779 -10.741 1.00 44.50 H new ATOM 0 HB2 ARG A 203 19.816 12.525 -9.516 1.00 32.23 H new ATOM 0 HB3 ARG A 203 18.594 12.169 -10.721 1.00 32.23 H new ATOM 0 HG2 ARG A 203 19.725 13.444 -12.401 1.00 4.21 H new ATOM 0 HG3 ARG A 203 20.774 14.212 -11.226 1.00 4.21 H new ATOM 0 HD2 ARG A 203 21.297 11.534 -10.771 1.00 63.00 H new ATOM 0 HD3 ARG A 203 20.988 11.544 -12.497 1.00 63.00 H new ATOM 0 HE ARG A 203 22.820 13.663 -11.625 1.00 74.01 H new ATOM 0 HH11 ARG A 203 22.485 10.305 -12.664 1.00 15.34 H new ATOM 0 HH12 ARG A 203 24.157 10.189 -13.220 1.00 15.34 H new ATOM 0 HH21 ARG A 203 24.966 13.507 -12.345 1.00 45.10 H new ATOM 0 HH22 ARG A 203 25.556 11.994 -13.041 1.00 45.10 H new ATOM 1378 N HIS A 204 17.156 13.439 -7.961 1.00 44.44 N ATOM 1379 CA HIS A 204 15.968 12.980 -7.251 1.00 60.35 C ATOM 1380 C HIS A 204 15.801 13.727 -5.932 1.00 34.23 C ATOM 1381 O HIS A 204 15.391 13.146 -4.927 1.00 14.35 O ATOM 1382 CB HIS A 204 16.053 11.475 -6.992 1.00 42.40 C ATOM 1383 CG HIS A 204 16.208 10.660 -8.239 1.00 55.31 C ATOM 1384 ND1 HIS A 204 15.200 9.870 -8.751 1.00 24.31 N ATOM 1385 CD2 HIS A 204 17.259 10.518 -9.079 1.00 24.41 C ATOM 1386 CE1 HIS A 204 15.627 9.275 -9.851 1.00 34.55 C ATOM 1387 NE2 HIS A 204 16.873 9.651 -10.072 1.00 1.32 N ATOM 0 H HIS A 204 17.977 13.566 -7.370 1.00 44.44 H new ATOM 0 HA HIS A 204 15.099 13.185 -7.876 1.00 60.35 H new ATOM 0 HB2 HIS A 204 16.896 11.276 -6.330 1.00 42.40 H new ATOM 0 HB3 HIS A 204 15.153 11.154 -6.467 1.00 42.40 H new ATOM 0 HD2 HIS A 204 18.222 10.997 -8.986 1.00 24.41 H new ATOM 0 HE1 HIS A 204 15.054 8.596 -10.465 1.00 34.55 H new ATOM 0 HE2 HIS A 204 17.454 9.347 -10.853 1.00 1.32 H new ATOM 1394 N ARG A 205 16.121 15.017 -5.943 1.00 22.54 N ATOM 1395 CA ARG A 205 16.008 15.842 -4.746 1.00 41.03 C ATOM 1396 C ARG A 205 14.545 16.098 -4.399 1.00 34.03 C ATOM 1397 O ARG A 205 14.107 15.835 -3.278 1.00 41.04 O ATOM 1398 CB ARG A 205 16.736 17.172 -4.948 1.00 53.52 C ATOM 1399 CG ARG A 205 17.944 17.350 -4.043 1.00 35.33 C ATOM 1400 CD ARG A 205 18.668 18.656 -4.329 1.00 73.22 C ATOM 1401 NE ARG A 205 18.240 19.727 -3.434 1.00 35.04 N ATOM 1402 CZ ARG A 205 18.856 20.900 -3.344 1.00 53.40 C ATOM 1403 NH1 ARG A 205 19.921 21.152 -4.092 1.00 40.30 N ATOM 1404 NH2 ARG A 205 18.406 21.825 -2.505 1.00 71.03 N ATOM 0 H ARG A 205 16.460 15.513 -6.767 1.00 22.54 H new ATOM 0 HA ARG A 205 16.471 15.304 -3.919 1.00 41.03 H new ATOM 0 HB2 ARG A 205 17.057 17.246 -5.987 1.00 53.52 H new ATOM 0 HB3 ARG A 205 16.037 17.989 -4.771 1.00 53.52 H new ATOM 0 HG2 ARG A 205 17.625 17.330 -3.001 1.00 35.33 H new ATOM 0 HG3 ARG A 205 18.630 16.515 -4.182 1.00 35.33 H new ATOM 0 HD2 ARG A 205 19.742 18.505 -4.225 1.00 73.22 H new ATOM 0 HD3 ARG A 205 18.486 18.953 -5.362 1.00 73.22 H new ATOM 0 HE ARG A 205 17.423 19.565 -2.845 1.00 35.04 H new ATOM 0 HH11 ARG A 205 20.269 20.444 -4.739 1.00 40.30 H new ATOM 0 HH12 ARG A 205 20.392 22.054 -4.021 1.00 40.30 H new ATOM 0 HH21 ARG A 205 17.586 21.635 -1.929 1.00 71.03 H new ATOM 0 HH22 ARG A 205 18.880 22.726 -2.437 1.00 71.03 H new ATOM 1418 N ASP A 206 13.794 16.613 -5.366 1.00 74.41 N ATOM 1419 CA ASP A 206 12.379 16.904 -5.163 1.00 61.21 C ATOM 1420 C ASP A 206 11.536 15.642 -5.320 1.00 65.11 C ATOM 1421 O ASP A 206 10.316 15.674 -5.161 1.00 52.10 O ATOM 1422 CB ASP A 206 11.909 17.972 -6.152 1.00 4.12 C ATOM 1423 CG ASP A 206 11.216 19.132 -5.465 1.00 33.13 C ATOM 1424 OD1 ASP A 206 10.006 19.015 -5.179 1.00 35.44 O ATOM 1425 OD2 ASP A 206 11.883 20.156 -5.212 1.00 41.53 O ATOM 0 H ASP A 206 14.141 16.838 -6.298 1.00 74.41 H new ATOM 0 HA ASP A 206 12.253 17.279 -4.147 1.00 61.21 H new ATOM 0 HB2 ASP A 206 12.765 18.345 -6.713 1.00 4.12 H new ATOM 0 HB3 ASP A 206 11.227 17.521 -6.873 1.00 4.12 H new ATOM 1430 N HIS A 207 12.196 14.531 -5.634 1.00 51.35 N ATOM 1431 CA HIS A 207 11.507 13.258 -5.814 1.00 3.12 C ATOM 1432 C HIS A 207 11.162 12.633 -4.466 1.00 31.33 C ATOM 1433 O HIS A 207 11.982 12.623 -3.548 1.00 14.52 O ATOM 1434 CB HIS A 207 12.373 12.296 -6.629 1.00 12.44 C ATOM 1435 CG HIS A 207 12.181 12.425 -8.108 1.00 51.13 C ATOM 1436 ND1 HIS A 207 12.808 11.605 -9.023 1.00 13.13 N ATOM 1437 CD2 HIS A 207 11.425 13.284 -8.832 1.00 1.13 C ATOM 1438 CE1 HIS A 207 12.447 11.955 -10.244 1.00 43.24 C ATOM 1439 NE2 HIS A 207 11.608 12.971 -10.156 1.00 42.52 N ATOM 0 H HIS A 207 13.206 14.487 -5.769 1.00 51.35 H new ATOM 0 HA HIS A 207 10.580 13.447 -6.355 1.00 3.12 H new ATOM 0 HB2 HIS A 207 13.422 12.473 -6.390 1.00 12.44 H new ATOM 0 HB3 HIS A 207 12.146 11.273 -6.329 1.00 12.44 H new ATOM 0 HD1 HIS A 207 13.450 10.847 -8.792 1.00 13.13 H new ATOM 0 HD2 HIS A 207 10.795 14.069 -8.441 1.00 1.13 H new ATOM 0 HE1 HIS A 207 12.781 11.489 -11.159 1.00 43.24 H new ATOM 1446 N GLN A 208 9.944 12.112 -4.355 1.00 10.31 N ATOM 1447 CA GLN A 208 9.491 11.487 -3.118 1.00 72.43 C ATOM 1448 C GLN A 208 10.035 10.067 -2.995 1.00 5.41 C ATOM 1449 O GLN A 208 9.484 9.128 -3.567 1.00 72.45 O ATOM 1450 CB GLN A 208 7.962 11.465 -3.063 1.00 3.50 C ATOM 1451 CG GLN A 208 7.404 11.532 -1.651 1.00 34.12 C ATOM 1452 CD GLN A 208 5.890 11.445 -1.617 1.00 65.30 C ATOM 1453 OE1 GLN A 208 5.283 10.701 -2.387 1.00 73.24 O ATOM 1454 NE2 GLN A 208 5.273 12.206 -0.721 1.00 42.44 N ATOM 0 H GLN A 208 9.254 12.110 -5.106 1.00 10.31 H new ATOM 0 HA GLN A 208 9.870 12.076 -2.283 1.00 72.43 H new ATOM 0 HB2 GLN A 208 7.574 12.305 -3.639 1.00 3.50 H new ATOM 0 HB3 GLN A 208 7.602 10.556 -3.544 1.00 3.50 H new ATOM 0 HG2 GLN A 208 7.824 10.719 -1.059 1.00 34.12 H new ATOM 0 HG3 GLN A 208 7.721 12.464 -1.183 1.00 34.12 H new ATOM 0 HE21 GLN A 208 5.816 12.808 -0.102 1.00 42.44 H new ATOM 0 HE22 GLN A 208 4.256 12.189 -0.651 1.00 42.44 H new ATOM 1463 N VAL A 209 11.122 9.919 -2.244 1.00 3.11 N ATOM 1464 CA VAL A 209 11.742 8.614 -2.045 1.00 14.34 C ATOM 1465 C VAL A 209 11.589 8.148 -0.601 1.00 41.31 C ATOM 1466 O VAL A 209 11.065 8.873 0.244 1.00 51.42 O ATOM 1467 CB VAL A 209 13.238 8.642 -2.408 1.00 61.12 C ATOM 1468 CG1 VAL A 209 13.427 9.041 -3.864 1.00 11.54 C ATOM 1469 CG2 VAL A 209 13.993 9.587 -1.485 1.00 72.32 C ATOM 0 H VAL A 209 11.591 10.687 -1.763 1.00 3.11 H new ATOM 0 HA VAL A 209 11.229 7.915 -2.706 1.00 14.34 H new ATOM 0 HB VAL A 209 13.645 7.640 -2.275 1.00 61.12 H new ATOM 0 HG11 VAL A 209 14.491 9.055 -4.102 1.00 11.54 H new ATOM 0 HG12 VAL A 209 12.921 8.321 -4.507 1.00 11.54 H new ATOM 0 HG13 VAL A 209 13.005 10.033 -4.027 1.00 11.54 H new ATOM 0 HG21 VAL A 209 15.049 9.594 -1.756 1.00 72.32 H new ATOM 0 HG22 VAL A 209 13.586 10.594 -1.583 1.00 72.32 H new ATOM 0 HG23 VAL A 209 13.886 9.251 -0.454 1.00 72.32 H new ATOM 1479 N ALA A 210 12.051 6.933 -0.325 1.00 42.14 N ATOM 1480 CA ALA A 210 11.969 6.371 1.017 1.00 74.22 C ATOM 1481 C ALA A 210 13.264 5.661 1.395 1.00 20.23 C ATOM 1482 O ALA A 210 13.680 4.712 0.731 1.00 34.22 O ATOM 1483 CB ALA A 210 10.791 5.413 1.116 1.00 31.40 C ATOM 0 H ALA A 210 12.486 6.319 -1.013 1.00 42.14 H new ATOM 0 HA ALA A 210 11.817 7.191 1.719 1.00 74.22 H new ATOM 0 HB1 ALA A 210 10.741 5.000 2.124 1.00 31.40 H new ATOM 0 HB2 ALA A 210 9.867 5.948 0.897 1.00 31.40 H new ATOM 0 HB3 ALA A 210 10.919 4.603 0.398 1.00 31.40 H new ATOM 1489 N ALA A 211 13.898 6.128 2.466 1.00 61.51 N ATOM 1490 CA ALA A 211 15.146 5.536 2.933 1.00 12.01 C ATOM 1491 C ALA A 211 15.026 5.075 4.382 1.00 43.23 C ATOM 1492 O ALA A 211 14.052 5.392 5.066 1.00 24.34 O ATOM 1493 CB ALA A 211 16.289 6.530 2.786 1.00 74.32 C ATOM 0 H ALA A 211 13.568 6.914 3.026 1.00 61.51 H new ATOM 0 HA ALA A 211 15.358 4.662 2.317 1.00 12.01 H new ATOM 0 HB1 ALA A 211 17.215 6.075 3.138 1.00 74.32 H new ATOM 0 HB2 ALA A 211 16.397 6.807 1.737 1.00 74.32 H new ATOM 0 HB3 ALA A 211 16.075 7.421 3.377 1.00 74.32 H new