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 143:sc= 0.0193 USER MOD Set 1.2: A 204 HIS : no HD1:sc= -0.151 K(o=0.67,f=-2) USER MOD Set 1.3: A 207 HIS : no HE2:sc= 0.804 K(o=0.67,f=-7.8!) USER MOD Set 2.1: A 184 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.32) USER MOD Set 2.2: A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 175 CYS SG : rot 154:sc= 0.177 USER MOD Set 3.2: A 178 HIS : no HD1:sc= -1.75 K(o=-0.47,f=0.1) USER MOD Set 3.3: A 195 CYS SG : rot -40:sc= 0.509 USER MOD Set 3.4: A 198 CYS SG : rot 58:sc= 0.593 USER MOD Set 4.1: A 134 CYS SG : rot 33:sc= 1.14 USER MOD Set 4.2: A 137 CYS SG : rot 89:sc= 0.00745 USER MOD Set 4.3: A 149 THR OG1 : rot -71:sc= 0.175 USER MOD Set 4.4: A 150 HIS : no HD1:sc= -0.861 K(o=0.6,f=-3.8!) USER MOD Set 4.5: A 159 HIS : no HE2:sc= 0.142 K(o=0.6,f=-6.7!) USER MOD Set 5.1: A 133 THR OG1 : rot -92:sc= -1.27 USER MOD Set 5.2: A 140 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 119 CYS SG : rot -156:sc= 0.0986 USER MOD Set 6.2: A 122 CYS SG : rot 36:sc= 0.418 USER MOD Set 6.3: A 124 GLN : amide:sc= -0.0941 K(o=1.3,f=-2.2!) USER MOD Set 6.4: A 128 GLN : amide:sc=-0.00402 K(o=1.3,f=0.31) USER MOD Set 6.5: A 142 CYS SG : rot -136:sc= -0.192 USER MOD Set 6.6: A 145 CYS SG : rot -151:sc= 1.08 USER MOD Single : A 116 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.017) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -150:sc= 0.118 USER MOD Single : A 141 TYR OH : rot -66:sc= 3.02 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 MET CE :methyl 164:sc= -0.21 (180deg=-0.71) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot -23:sc= -1.15 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.4) 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=-0.31) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 1.176 3.095 -4.773 1.00 53.34 N ATOM 27 CA LYS A 116 2.080 3.190 -5.913 1.00 51.53 C ATOM 28 C LYS A 116 1.405 3.894 -7.086 1.00 74.23 C ATOM 29 O LYS A 116 0.226 4.243 -7.019 1.00 31.33 O ATOM 30 CB LYS A 116 2.544 1.796 -6.340 1.00 3.12 C ATOM 31 CG LYS A 116 3.854 1.369 -5.700 1.00 41.10 C ATOM 32 CD LYS A 116 4.194 -0.074 -6.035 1.00 12.35 C ATOM 33 CE LYS A 116 3.568 -1.039 -5.039 1.00 4.30 C ATOM 34 NZ LYS A 116 4.313 -1.065 -3.749 1.00 54.14 N ATOM 0 HA LYS A 116 2.946 3.777 -5.609 1.00 51.53 H new ATOM 0 HB2 LYS A 116 1.771 1.071 -6.085 1.00 3.12 H new ATOM 0 HB3 LYS A 116 2.655 1.775 -7.424 1.00 3.12 H new ATOM 0 HG2 LYS A 116 4.657 2.022 -6.042 1.00 41.10 H new ATOM 0 HG3 LYS A 116 3.787 1.486 -4.618 1.00 41.10 H new ATOM 0 HD2 LYS A 116 3.843 -0.308 -7.040 1.00 12.35 H new ATOM 0 HD3 LYS A 116 5.276 -0.203 -6.037 1.00 12.35 H new ATOM 0 HE2 LYS A 116 2.533 -0.751 -4.855 1.00 4.30 H new ATOM 0 HE3 LYS A 116 3.548 -2.041 -5.467 1.00 4.30 H new ATOM 0 HZ1 LYS A 116 3.941 -1.828 -3.148 1.00 54.14 H new ATOM 0 HZ2 LYS A 116 5.323 -1.232 -3.935 1.00 54.14 H new ATOM 0 HZ3 LYS A 116 4.196 -0.153 -3.262 1.00 54.14 H new ATOM 48 N VAL A 117 2.159 4.098 -8.162 1.00 34.12 N ATOM 49 CA VAL A 117 1.632 4.757 -9.351 1.00 11.12 C ATOM 50 C VAL A 117 1.255 3.740 -10.422 1.00 33.33 C ATOM 51 O VAL A 117 1.941 2.734 -10.608 1.00 2.04 O ATOM 52 CB VAL A 117 2.651 5.751 -9.939 1.00 54.40 C ATOM 53 CG1 VAL A 117 3.869 5.014 -10.474 1.00 53.23 C ATOM 54 CG2 VAL A 117 2.005 6.593 -11.029 1.00 73.24 C ATOM 0 H VAL A 117 3.137 3.816 -8.234 1.00 34.12 H new ATOM 0 HA VAL A 117 0.740 5.302 -9.042 1.00 11.12 H new ATOM 0 HB VAL A 117 2.982 6.419 -9.144 1.00 54.40 H new ATOM 0 HG11 VAL A 117 4.578 5.733 -10.885 1.00 53.23 H new ATOM 0 HG12 VAL A 117 4.343 4.459 -9.664 1.00 53.23 H new ATOM 0 HG13 VAL A 117 3.560 4.321 -11.256 1.00 53.23 H new ATOM 0 HG21 VAL A 117 2.739 7.290 -11.434 1.00 73.24 H new ATOM 0 HG22 VAL A 117 1.645 5.942 -11.826 1.00 73.24 H new ATOM 0 HG23 VAL A 117 1.168 7.151 -10.610 1.00 73.24 H new ATOM 64 N LEU A 118 0.160 4.007 -11.124 1.00 53.35 N ATOM 65 CA LEU A 118 -0.310 3.115 -12.179 1.00 2.21 C ATOM 66 C LEU A 118 0.054 3.661 -13.556 1.00 72.00 C ATOM 67 O LEU A 118 -0.044 4.868 -13.770 1.00 51.33 O ATOM 68 CB LEU A 118 -1.824 2.925 -12.077 1.00 12.24 C ATOM 69 CG LEU A 118 -2.319 2.109 -10.882 1.00 11.21 C ATOM 70 CD1 LEU A 118 -3.547 2.759 -10.263 1.00 42.42 C ATOM 71 CD2 LEU A 118 -2.626 0.679 -11.303 1.00 4.41 C ATOM 0 H LEU A 118 -0.420 4.834 -10.982 1.00 53.35 H new ATOM 0 HA LEU A 118 0.180 2.150 -12.050 1.00 2.21 H new ATOM 0 HB2 LEU A 118 -2.292 3.909 -12.038 1.00 12.24 H new ATOM 0 HB3 LEU A 118 -2.172 2.442 -12.990 1.00 12.24 H new ATOM 0 HG LEU A 118 -1.529 2.084 -10.131 1.00 11.21 H new ATOM 0 HD11 LEU A 118 -3.885 2.164 -9.414 1.00 42.42 H new ATOM 0 HD12 LEU A 118 -3.295 3.764 -9.924 1.00 42.42 H new ATOM 0 HD13 LEU A 118 -4.342 2.815 -11.006 1.00 42.42 H new ATOM 0 HD21 LEU A 118 -2.977 0.113 -10.440 1.00 4.41 H new ATOM 0 HD22 LEU A 118 -3.398 0.684 -12.072 1.00 4.41 H new ATOM 0 HD23 LEU A 118 -1.723 0.214 -11.699 1.00 4.41 H new ATOM 83 N CYS A 119 0.459 2.771 -14.450 1.00 30.43 N ATOM 84 CA CYS A 119 0.829 3.176 -15.795 1.00 23.20 C ATOM 85 C CYS A 119 -0.339 3.957 -16.400 1.00 61.11 C ATOM 86 O CYS A 119 -1.371 3.400 -16.774 1.00 3.21 O ATOM 87 CB CYS A 119 1.222 1.976 -16.659 1.00 60.22 C ATOM 88 SG CYS A 119 1.908 2.552 -18.255 1.00 72.31 S ATOM 0 H CYS A 119 0.539 1.770 -14.269 1.00 30.43 H new ATOM 0 HA CYS A 119 1.711 3.816 -15.755 1.00 23.20 H new ATOM 0 HB2 CYS A 119 1.959 1.366 -16.136 1.00 60.22 H new ATOM 0 HB3 CYS A 119 0.352 1.343 -16.835 1.00 60.22 H new ATOM 0 HG CYS A 119 1.774 1.617 -19.148 1.00 72.31 H new ATOM 93 N GLN A 120 -0.151 5.270 -16.488 1.00 70.32 N ATOM 94 CA GLN A 120 -1.172 6.152 -17.042 1.00 22.52 C ATOM 95 C GLN A 120 -1.404 5.855 -18.520 1.00 4.31 C ATOM 96 O GLN A 120 -2.469 6.147 -19.062 1.00 54.55 O ATOM 97 CB GLN A 120 -0.765 7.615 -16.860 1.00 63.25 C ATOM 98 CG GLN A 120 -1.944 8.558 -16.687 1.00 35.53 C ATOM 99 CD GLN A 120 -1.516 9.972 -16.349 1.00 35.02 C ATOM 100 OE1 GLN A 120 -1.143 10.265 -15.213 1.00 5.12 O ATOM 101 NE2 GLN A 120 -1.569 10.858 -17.336 1.00 41.50 N ATOM 0 H GLN A 120 0.698 5.746 -16.183 1.00 70.32 H new ATOM 0 HA GLN A 120 -2.103 5.972 -16.504 1.00 22.52 H new ATOM 0 HB2 GLN A 120 -0.114 7.697 -15.989 1.00 63.25 H new ATOM 0 HB3 GLN A 120 -0.181 7.931 -17.725 1.00 63.25 H new ATOM 0 HG2 GLN A 120 -2.532 8.570 -17.605 1.00 35.53 H new ATOM 0 HG3 GLN A 120 -2.593 8.180 -15.897 1.00 35.53 H new ATOM 0 HE21 GLN A 120 -1.885 10.571 -18.263 1.00 41.50 H new ATOM 0 HE22 GLN A 120 -1.294 11.826 -17.168 1.00 41.50 H new ATOM 110 N PHE A 121 -0.399 5.274 -19.166 1.00 64.04 N ATOM 111 CA PHE A 121 -0.492 4.939 -20.583 1.00 14.34 C ATOM 112 C PHE A 121 -0.774 3.452 -20.772 1.00 72.35 C ATOM 113 O PHE A 121 -0.216 2.844 -21.684 1.00 64.24 O ATOM 114 CB PHE A 121 0.801 5.321 -21.305 1.00 40.24 C ATOM 115 CG PHE A 121 0.830 6.750 -21.769 1.00 34.34 C ATOM 116 CD1 PHE A 121 0.413 7.772 -20.931 1.00 74.21 C ATOM 117 CD2 PHE A 121 1.274 7.071 -23.041 1.00 71.41 C ATOM 118 CE1 PHE A 121 0.437 9.087 -21.355 1.00 61.12 C ATOM 119 CE2 PHE A 121 1.301 8.384 -23.471 1.00 1.14 C ATOM 120 CZ PHE A 121 0.883 9.394 -22.626 1.00 21.40 C ATOM 0 H PHE A 121 0.490 5.025 -18.731 1.00 64.04 H new ATOM 0 HA PHE A 121 -1.319 5.505 -21.011 1.00 14.34 H new ATOM 0 HB2 PHE A 121 1.645 5.147 -20.638 1.00 40.24 H new ATOM 0 HB3 PHE A 121 0.934 4.665 -22.165 1.00 40.24 H new ATOM 0 HD1 PHE A 121 0.065 7.538 -19.936 1.00 74.21 H new ATOM 0 HD2 PHE A 121 1.603 6.285 -23.705 1.00 71.41 H new ATOM 0 HE1 PHE A 121 0.107 9.874 -20.693 1.00 61.12 H new ATOM 0 HE2 PHE A 121 1.648 8.620 -24.466 1.00 1.14 H new ATOM 0 HZ PHE A 121 0.905 10.421 -22.958 1.00 21.40 H new ATOM 130 N CYS A 122 -1.625 2.905 -19.916 1.00 63.44 N ATOM 131 CA CYS A 122 -1.968 1.495 -20.000 1.00 52.32 C ATOM 132 C CYS A 122 -3.455 1.383 -20.341 1.00 74.15 C ATOM 133 O CYS A 122 -4.280 2.207 -19.946 1.00 42.41 O ATOM 134 CB CYS A 122 -1.621 0.751 -18.709 1.00 60.35 C ATOM 135 SG CYS A 122 -0.320 -0.495 -19.036 1.00 14.41 S ATOM 0 H CYS A 122 -2.087 3.412 -19.161 1.00 63.44 H new ATOM 0 HA CYS A 122 -1.379 1.020 -20.785 1.00 52.32 H new ATOM 0 HB2 CYS A 122 -1.278 1.458 -17.953 1.00 60.35 H new ATOM 0 HB3 CYS A 122 -2.511 0.264 -18.310 1.00 60.35 H new ATOM 0 HG CYS A 122 0.509 -0.034 -19.925 1.00 14.41 H new ATOM 140 N ASP A 123 -3.782 0.335 -21.090 1.00 41.55 N ATOM 141 CA ASP A 123 -5.160 0.088 -21.500 1.00 24.12 C ATOM 142 C ASP A 123 -5.565 -1.352 -21.201 1.00 64.34 C ATOM 143 O ASP A 123 -6.372 -1.941 -21.920 1.00 12.33 O ATOM 144 CB ASP A 123 -5.331 0.381 -22.991 1.00 75.41 C ATOM 145 CG ASP A 123 -6.765 0.715 -23.354 1.00 41.10 C ATOM 146 OD1 ASP A 123 -7.640 0.609 -22.470 1.00 54.30 O ATOM 147 OD2 ASP A 123 -7.012 1.082 -24.522 1.00 65.23 O ATOM 0 H ASP A 123 -3.112 -0.357 -21.425 1.00 41.55 H new ATOM 0 HA ASP A 123 -5.808 0.754 -20.931 1.00 24.12 H new ATOM 0 HB2 ASP A 123 -4.685 1.213 -23.271 1.00 75.41 H new ATOM 0 HB3 ASP A 123 -5.005 -0.484 -23.568 1.00 75.41 H new ATOM 152 N GLN A 124 -4.997 -1.913 -20.138 1.00 73.03 N ATOM 153 CA GLN A 124 -5.298 -3.285 -19.747 1.00 15.12 C ATOM 154 C GLN A 124 -6.687 -3.381 -19.124 1.00 11.34 C ATOM 155 O GLN A 124 -7.495 -4.226 -19.510 1.00 25.23 O ATOM 156 CB GLN A 124 -4.248 -3.799 -18.761 1.00 44.31 C ATOM 157 CG GLN A 124 -3.083 -4.510 -19.430 1.00 23.41 C ATOM 158 CD GLN A 124 -2.121 -5.123 -18.430 1.00 53.34 C ATOM 159 OE1 GLN A 124 -1.109 -4.519 -18.075 1.00 42.42 O ATOM 160 NE2 GLN A 124 -2.434 -6.329 -17.970 1.00 43.53 N ATOM 0 H GLN A 124 -4.327 -1.439 -19.533 1.00 73.03 H new ATOM 0 HA GLN A 124 -5.278 -3.904 -20.644 1.00 15.12 H new ATOM 0 HB2 GLN A 124 -3.866 -2.960 -18.180 1.00 44.31 H new ATOM 0 HB3 GLN A 124 -4.725 -4.482 -18.058 1.00 44.31 H new ATOM 0 HG2 GLN A 124 -3.467 -5.292 -20.085 1.00 23.41 H new ATOM 0 HG3 GLN A 124 -2.544 -3.803 -20.060 1.00 23.41 H new ATOM 0 HE21 GLN A 124 -3.283 -6.793 -18.292 1.00 43.53 H new ATOM 0 HE22 GLN A 124 -1.825 -6.791 -17.295 1.00 43.53 H new ATOM 169 N ASP A 125 -6.958 -2.510 -18.158 1.00 51.51 N ATOM 170 CA ASP A 125 -8.250 -2.495 -17.481 1.00 61.44 C ATOM 171 C ASP A 125 -8.499 -3.816 -16.759 1.00 54.40 C ATOM 172 O ASP A 125 -9.112 -4.739 -17.296 1.00 0.03 O ATOM 173 CB ASP A 125 -9.373 -2.229 -18.485 1.00 44.13 C ATOM 174 CG ASP A 125 -10.554 -1.516 -17.857 1.00 61.11 C ATOM 175 OD1 ASP A 125 -10.581 -1.393 -16.614 1.00 44.04 O ATOM 176 OD2 ASP A 125 -11.451 -1.081 -18.608 1.00 53.40 O ATOM 0 H ASP A 125 -6.300 -1.805 -17.826 1.00 51.51 H new ATOM 0 HA ASP A 125 -8.237 -1.694 -16.742 1.00 61.44 H new ATOM 0 HB2 ASP A 125 -8.986 -1.629 -19.308 1.00 44.13 H new ATOM 0 HB3 ASP A 125 -9.708 -3.175 -18.910 1.00 44.13 H new ATOM 181 N PRO A 126 -8.013 -3.909 -15.512 1.00 74.54 N ATOM 182 CA PRO A 126 -7.282 -2.817 -14.863 1.00 72.25 C ATOM 183 C PRO A 126 -5.909 -2.588 -15.486 1.00 74.15 C ATOM 184 O PRO A 126 -5.340 -3.487 -16.104 1.00 22.31 O ATOM 185 CB PRO A 126 -7.140 -3.296 -13.417 1.00 23.14 C ATOM 186 CG PRO A 126 -7.208 -4.782 -13.501 1.00 13.11 C ATOM 187 CD PRO A 126 -8.140 -5.089 -14.641 1.00 22.45 C ATOM 0 HA PRO A 126 -7.801 -1.864 -14.962 1.00 72.25 H new ATOM 0 HB2 PRO A 126 -6.196 -2.967 -12.982 1.00 23.14 H new ATOM 0 HB3 PRO A 126 -7.937 -2.898 -12.788 1.00 23.14 H new ATOM 0 HG2 PRO A 126 -6.221 -5.209 -13.678 1.00 13.11 H new ATOM 0 HG3 PRO A 126 -7.577 -5.209 -12.569 1.00 13.11 H new ATOM 0 HD2 PRO A 126 -7.853 -6.004 -15.159 1.00 22.45 H new ATOM 0 HD3 PRO A 126 -9.165 -5.226 -14.296 1.00 22.45 H new ATOM 195 N ALA A 127 -5.383 -1.379 -15.320 1.00 34.02 N ATOM 196 CA ALA A 127 -4.076 -1.033 -15.864 1.00 31.12 C ATOM 197 C ALA A 127 -2.956 -1.512 -14.947 1.00 23.11 C ATOM 198 O ALA A 127 -3.148 -1.655 -13.740 1.00 13.52 O ATOM 199 CB ALA A 127 -3.976 0.469 -16.082 1.00 51.33 C ATOM 0 H ALA A 127 -5.842 -0.623 -14.813 1.00 34.02 H new ATOM 0 HA ALA A 127 -3.965 -1.537 -16.824 1.00 31.12 H new ATOM 0 HB1 ALA A 127 -2.995 0.713 -16.489 1.00 51.33 H new ATOM 0 HB2 ALA A 127 -4.748 0.787 -16.782 1.00 51.33 H new ATOM 0 HB3 ALA A 127 -4.113 0.985 -15.132 1.00 51.33 H new ATOM 205 N GLN A 128 -1.786 -1.759 -15.528 1.00 74.23 N ATOM 206 CA GLN A 128 -0.636 -2.224 -14.762 1.00 40.23 C ATOM 207 C GLN A 128 0.057 -1.060 -14.061 1.00 34.13 C ATOM 208 O GLN A 128 -0.339 0.095 -14.215 1.00 54.35 O ATOM 209 CB GLN A 128 0.355 -2.946 -15.677 1.00 52.31 C ATOM 210 CG GLN A 128 0.472 -4.434 -15.393 1.00 31.43 C ATOM 211 CD GLN A 128 1.612 -5.085 -16.150 1.00 64.42 C ATOM 212 OE1 GLN A 128 2.633 -4.453 -16.423 1.00 51.40 O ATOM 213 NE2 GLN A 128 1.445 -6.357 -16.494 1.00 42.15 N ATOM 0 H GLN A 128 -1.610 -1.645 -16.526 1.00 74.23 H new ATOM 0 HA GLN A 128 -0.994 -2.921 -14.004 1.00 40.23 H new ATOM 0 HB2 GLN A 128 0.048 -2.805 -16.714 1.00 52.31 H new ATOM 0 HB3 GLN A 128 1.337 -2.486 -15.570 1.00 52.31 H new ATOM 0 HG2 GLN A 128 0.618 -4.585 -14.323 1.00 31.43 H new ATOM 0 HG3 GLN A 128 -0.464 -4.926 -15.660 1.00 31.43 H new ATOM 0 HE21 GLN A 128 0.583 -6.843 -16.248 1.00 42.15 H new ATOM 0 HE22 GLN A 128 2.179 -6.848 -17.005 1.00 42.15 H new ATOM 222 N ASP A 129 1.092 -1.373 -13.289 1.00 52.31 N ATOM 223 CA ASP A 129 1.840 -0.353 -12.564 1.00 4.22 C ATOM 224 C ASP A 129 3.155 -0.039 -13.270 1.00 45.21 C ATOM 225 O ASP A 129 3.679 -0.860 -14.022 1.00 23.43 O ATOM 226 CB ASP A 129 2.114 -0.813 -11.131 1.00 11.10 C ATOM 227 CG ASP A 129 3.237 -1.828 -11.053 1.00 70.33 C ATOM 228 OD1 ASP A 129 3.014 -2.991 -11.451 1.00 24.20 O ATOM 229 OD2 ASP A 129 4.339 -1.460 -10.596 1.00 13.22 O ATOM 0 H ASP A 129 1.432 -2.325 -13.149 1.00 52.31 H new ATOM 0 HA ASP A 129 1.237 0.554 -12.537 1.00 4.22 H new ATOM 0 HB2 ASP A 129 2.366 0.052 -10.517 1.00 11.10 H new ATOM 0 HB3 ASP A 129 1.206 -1.247 -10.712 1.00 11.10 H new ATOM 234 N ALA A 130 3.683 1.156 -13.024 1.00 11.01 N ATOM 235 CA ALA A 130 4.937 1.578 -13.635 1.00 52.24 C ATOM 236 C ALA A 130 6.133 1.109 -12.815 1.00 23.42 C ATOM 237 O ALA A 130 6.266 1.452 -11.640 1.00 45.01 O ATOM 238 CB ALA A 130 4.964 3.091 -13.793 1.00 51.33 C ATOM 0 H ALA A 130 3.261 1.849 -12.406 1.00 11.01 H new ATOM 0 HA ALA A 130 5.004 1.119 -14.621 1.00 52.24 H new ATOM 0 HB1 ALA A 130 5.906 3.392 -14.251 1.00 51.33 H new ATOM 0 HB2 ALA A 130 4.136 3.405 -14.428 1.00 51.33 H new ATOM 0 HB3 ALA A 130 4.870 3.561 -12.814 1.00 51.33 H new ATOM 244 N VAL A 131 7.002 0.321 -13.441 1.00 32.42 N ATOM 245 CA VAL A 131 8.188 -0.196 -12.768 1.00 72.13 C ATOM 246 C VAL A 131 9.456 0.446 -13.320 1.00 32.20 C ATOM 247 O VAL A 131 10.490 0.479 -12.652 1.00 55.41 O ATOM 248 CB VAL A 131 8.294 -1.726 -12.915 1.00 4.44 C ATOM 249 CG1 VAL A 131 7.226 -2.418 -12.082 1.00 55.45 C ATOM 250 CG2 VAL A 131 8.187 -2.129 -14.377 1.00 62.34 C ATOM 0 H VAL A 131 6.907 0.027 -14.413 1.00 32.42 H new ATOM 0 HA VAL A 131 8.088 0.054 -11.712 1.00 72.13 H new ATOM 0 HB VAL A 131 9.269 -2.043 -12.546 1.00 4.44 H new ATOM 0 HG11 VAL A 131 7.317 -3.498 -12.199 1.00 55.45 H new ATOM 0 HG12 VAL A 131 7.356 -2.154 -11.032 1.00 55.45 H new ATOM 0 HG13 VAL A 131 6.239 -2.098 -12.417 1.00 55.45 H new ATOM 0 HG21 VAL A 131 8.264 -3.213 -14.462 1.00 62.34 H new ATOM 0 HG22 VAL A 131 7.227 -1.801 -14.776 1.00 62.34 H new ATOM 0 HG23 VAL A 131 8.993 -1.662 -14.943 1.00 62.34 H new ATOM 260 N LYS A 132 9.370 0.956 -14.544 1.00 32.30 N ATOM 261 CA LYS A 132 10.509 1.599 -15.187 1.00 43.20 C ATOM 262 C LYS A 132 10.231 3.079 -15.433 1.00 21.31 C ATOM 263 O LYS A 132 9.085 3.525 -15.370 1.00 30.00 O ATOM 264 CB LYS A 132 10.834 0.904 -16.511 1.00 31.51 C ATOM 265 CG LYS A 132 11.842 -0.224 -16.374 1.00 72.51 C ATOM 266 CD LYS A 132 12.188 -0.830 -17.724 1.00 74.11 C ATOM 267 CE LYS A 132 12.231 -2.349 -17.659 1.00 21.11 C ATOM 268 NZ LYS A 132 13.051 -2.928 -18.759 1.00 74.31 N ATOM 0 H LYS A 132 8.522 0.936 -15.111 1.00 32.30 H new ATOM 0 HA LYS A 132 11.366 1.514 -14.519 1.00 43.20 H new ATOM 0 HB2 LYS A 132 9.913 0.507 -16.939 1.00 31.51 H new ATOM 0 HB3 LYS A 132 11.220 1.642 -17.214 1.00 31.51 H new ATOM 0 HG2 LYS A 132 12.749 0.153 -15.900 1.00 72.51 H new ATOM 0 HG3 LYS A 132 11.438 -0.997 -15.720 1.00 72.51 H new ATOM 0 HD2 LYS A 132 11.451 -0.517 -18.464 1.00 74.11 H new ATOM 0 HD3 LYS A 132 13.154 -0.452 -18.057 1.00 74.11 H new ATOM 0 HE2 LYS A 132 12.641 -2.660 -16.698 1.00 21.11 H new ATOM 0 HE3 LYS A 132 11.217 -2.744 -17.716 1.00 21.11 H new ATOM 0 HZ1 LYS A 132 13.055 -3.965 -18.680 1.00 74.31 H new ATOM 0 HZ2 LYS A 132 12.646 -2.653 -19.676 1.00 74.31 H new ATOM 0 HZ3 LYS A 132 14.026 -2.571 -18.690 1.00 74.31 H new ATOM 282 N THR A 133 11.287 3.836 -15.715 1.00 31.02 N ATOM 283 CA THR A 133 11.156 5.265 -15.971 1.00 22.24 C ATOM 284 C THR A 133 12.308 5.778 -16.827 1.00 23.31 C ATOM 285 O THR A 133 13.461 5.459 -16.538 1.00 52.41 O ATOM 286 CB THR A 133 11.110 6.069 -14.657 1.00 61.34 C ATOM 287 OG1 THR A 133 10.113 5.525 -13.785 1.00 52.42 O ATOM 288 CG2 THR A 133 10.808 7.534 -14.931 1.00 2.45 C ATOM 0 H THR A 133 12.242 3.483 -15.772 1.00 31.02 H new ATOM 0 HA THR A 133 10.218 5.405 -16.508 1.00 22.24 H new ATOM 0 HB THR A 133 12.087 5.999 -14.178 1.00 61.34 H new ATOM 0 HG1 THR A 133 9.261 5.985 -13.936 1.00 52.42 H new ATOM 0 HG21 THR A 133 10.780 8.082 -13.989 1.00 2.45 H new ATOM 0 HG22 THR A 133 11.585 7.952 -15.571 1.00 2.45 H new ATOM 0 HG23 THR A 133 9.842 7.619 -15.429 1.00 2.45 H new ATOM 296 N CYS A 134 11.978 6.552 -17.850 1.00 14.22 N ATOM 297 CA CYS A 134 12.993 7.099 -18.734 1.00 22.24 C ATOM 298 C CYS A 134 13.290 8.534 -18.295 1.00 15.31 C ATOM 299 O CYS A 134 12.405 9.387 -18.208 1.00 64.45 O ATOM 300 CB CYS A 134 12.565 7.027 -20.201 1.00 15.34 C ATOM 301 SG CYS A 134 13.909 7.646 -21.276 1.00 43.24 S ATOM 0 H CYS A 134 11.021 6.814 -18.087 1.00 14.22 H new ATOM 0 HA CYS A 134 13.902 6.502 -18.660 1.00 22.24 H new ATOM 0 HB2 CYS A 134 12.320 5.999 -20.467 1.00 15.34 H new ATOM 0 HB3 CYS A 134 11.663 7.620 -20.355 1.00 15.34 H new ATOM 0 HG CYS A 134 15.059 7.361 -20.741 1.00 43.24 H new ATOM 306 N VAL A 135 14.565 8.785 -18.017 1.00 62.15 N ATOM 307 CA VAL A 135 15.009 10.105 -17.587 1.00 52.52 C ATOM 308 C VAL A 135 15.027 11.086 -18.754 1.00 50.41 C ATOM 309 O VAL A 135 14.783 12.281 -18.580 1.00 73.12 O ATOM 310 CB VAL A 135 16.413 10.048 -16.957 1.00 40.10 C ATOM 311 CG1 VAL A 135 16.375 9.296 -15.635 1.00 41.42 C ATOM 312 CG2 VAL A 135 17.402 9.405 -17.918 1.00 33.44 C ATOM 0 H VAL A 135 15.309 8.091 -18.082 1.00 62.15 H new ATOM 0 HA VAL A 135 14.297 10.449 -16.837 1.00 52.52 H new ATOM 0 HB VAL A 135 16.745 11.067 -16.758 1.00 40.10 H new ATOM 0 HG11 VAL A 135 17.376 9.266 -15.205 1.00 41.42 H new ATOM 0 HG12 VAL A 135 15.699 9.804 -14.947 1.00 41.42 H new ATOM 0 HG13 VAL A 135 16.022 8.279 -15.805 1.00 41.42 H new ATOM 0 HG21 VAL A 135 18.389 9.373 -17.457 1.00 33.44 H new ATOM 0 HG22 VAL A 135 17.077 8.391 -18.150 1.00 33.44 H new ATOM 0 HG23 VAL A 135 17.450 9.990 -18.836 1.00 33.44 H new ATOM 322 N THR A 136 15.318 10.574 -19.946 1.00 51.41 N ATOM 323 CA THR A 136 15.369 11.405 -21.143 1.00 31.33 C ATOM 324 C THR A 136 13.970 11.815 -21.587 1.00 73.13 C ATOM 325 O THR A 136 13.826 12.841 -22.250 1.00 14.10 O ATOM 326 CB THR A 136 16.071 10.675 -22.304 1.00 34.35 C ATOM 327 OG1 THR A 136 17.039 9.754 -21.789 1.00 61.11 O ATOM 328 CG2 THR A 136 16.751 11.667 -23.234 1.00 42.12 C ATOM 0 H THR A 136 15.522 9.588 -20.108 1.00 51.41 H new ATOM 0 HA THR A 136 15.941 12.296 -20.885 1.00 31.33 H new ATOM 0 HB THR A 136 15.317 10.129 -22.871 1.00 34.35 H new ATOM 0 HG1 THR A 136 17.772 9.657 -22.432 1.00 61.11 H new ATOM 0 HG21 THR A 136 17.240 11.128 -24.046 1.00 42.12 H new ATOM 0 HG22 THR A 136 16.007 12.348 -23.647 1.00 42.12 H new ATOM 0 HG23 THR A 136 17.495 12.237 -22.677 1.00 42.12 H new ATOM 336 N CYS A 137 12.980 11.015 -21.218 1.00 1.34 N ATOM 337 CA CYS A 137 11.605 11.308 -21.584 1.00 72.31 C ATOM 338 C CYS A 137 10.937 12.026 -20.410 1.00 42.50 C ATOM 339 O CYS A 137 9.991 12.797 -20.571 1.00 21.45 O ATOM 340 CB CYS A 137 10.845 10.042 -21.985 1.00 72.20 C ATOM 341 SG CYS A 137 11.454 9.431 -23.599 1.00 22.43 S ATOM 0 H CYS A 137 13.103 10.164 -20.669 1.00 1.34 H new ATOM 0 HA CYS A 137 11.590 11.956 -22.460 1.00 72.31 H new ATOM 0 HB2 CYS A 137 10.975 9.273 -21.223 1.00 72.20 H new ATOM 0 HB3 CYS A 137 9.777 10.253 -22.046 1.00 72.20 H new ATOM 0 HG CYS A 137 12.453 8.622 -23.408 1.00 22.43 H new ATOM 346 N GLU A 138 11.456 11.755 -19.217 1.00 31.35 N ATOM 347 CA GLU A 138 10.929 12.361 -17.999 1.00 72.54 C ATOM 348 C GLU A 138 9.498 11.900 -17.738 1.00 32.31 C ATOM 349 O GLU A 138 8.629 12.700 -17.391 1.00 43.43 O ATOM 350 CB GLU A 138 10.974 13.887 -18.102 1.00 22.52 C ATOM 351 CG GLU A 138 11.346 14.573 -16.798 1.00 51.34 C ATOM 352 CD GLU A 138 10.729 15.953 -16.669 1.00 63.51 C ATOM 353 OE1 GLU A 138 10.121 16.425 -17.652 1.00 13.55 O ATOM 354 OE2 GLU A 138 10.855 16.559 -15.584 1.00 64.25 O ATOM 0 H GLU A 138 12.240 11.120 -19.067 1.00 31.35 H new ATOM 0 HA GLU A 138 11.553 12.042 -17.165 1.00 72.54 H new ATOM 0 HB2 GLU A 138 11.694 14.170 -18.870 1.00 22.52 H new ATOM 0 HB3 GLU A 138 10.000 14.250 -18.429 1.00 22.52 H new ATOM 0 HG2 GLU A 138 11.022 13.954 -15.961 1.00 51.34 H new ATOM 0 HG3 GLU A 138 12.431 14.656 -16.732 1.00 51.34 H new ATOM 361 N VAL A 139 9.260 10.603 -17.907 1.00 74.11 N ATOM 362 CA VAL A 139 7.935 10.034 -17.689 1.00 50.13 C ATOM 363 C VAL A 139 8.026 8.674 -17.007 1.00 24.12 C ATOM 364 O VAL A 139 9.014 7.956 -17.161 1.00 60.40 O ATOM 365 CB VAL A 139 7.165 9.880 -19.015 1.00 3.44 C ATOM 366 CG1 VAL A 139 5.713 9.513 -18.750 1.00 2.25 C ATOM 367 CG2 VAL A 139 7.259 11.157 -19.836 1.00 45.31 C ATOM 0 H VAL A 139 9.967 9.927 -18.194 1.00 74.11 H new ATOM 0 HA VAL A 139 7.396 10.726 -17.042 1.00 50.13 H new ATOM 0 HB VAL A 139 7.620 9.072 -19.588 1.00 3.44 H new ATOM 0 HG11 VAL A 139 5.185 9.409 -19.698 1.00 2.25 H new ATOM 0 HG12 VAL A 139 5.670 8.570 -18.205 1.00 2.25 H new ATOM 0 HG13 VAL A 139 5.242 10.297 -18.157 1.00 2.25 H new ATOM 0 HG21 VAL A 139 6.710 11.031 -20.769 1.00 45.31 H new ATOM 0 HG22 VAL A 139 6.830 11.985 -19.271 1.00 45.31 H new ATOM 0 HG23 VAL A 139 8.305 11.372 -20.057 1.00 45.31 H new ATOM 377 N SER A 140 6.989 8.326 -16.252 1.00 23.03 N ATOM 378 CA SER A 140 6.954 7.053 -15.542 1.00 75.40 C ATOM 379 C SER A 140 5.943 6.104 -16.180 1.00 23.44 C ATOM 380 O SER A 140 4.742 6.372 -16.188 1.00 33.04 O ATOM 381 CB SER A 140 6.603 7.275 -14.070 1.00 34.14 C ATOM 382 OG SER A 140 6.938 6.141 -13.289 1.00 5.25 O ATOM 0 H SER A 140 6.162 8.908 -16.116 1.00 23.03 H new ATOM 0 HA SER A 140 7.944 6.601 -15.608 1.00 75.40 H new ATOM 0 HB2 SER A 140 7.135 8.149 -13.694 1.00 34.14 H new ATOM 0 HB3 SER A 140 5.538 7.484 -13.975 1.00 34.14 H new ATOM 0 HG SER A 140 6.705 6.309 -12.352 1.00 5.25 H new ATOM 388 N TYR A 141 6.440 4.993 -16.713 1.00 52.13 N ATOM 389 CA TYR A 141 5.582 4.004 -17.356 1.00 3.32 C ATOM 390 C TYR A 141 5.935 2.594 -16.893 1.00 1.11 C ATOM 391 O TYR A 141 6.841 2.436 -16.076 1.00 13.24 O ATOM 392 CB TYR A 141 5.709 4.100 -18.877 1.00 52.32 C ATOM 393 CG TYR A 141 5.067 5.338 -19.461 1.00 52.33 C ATOM 394 CD1 TYR A 141 3.822 5.773 -19.021 1.00 63.44 C ATOM 395 CD2 TYR A 141 5.704 6.073 -20.454 1.00 13.14 C ATOM 396 CE1 TYR A 141 3.231 6.903 -19.553 1.00 23.35 C ATOM 397 CE2 TYR A 141 5.121 7.205 -20.989 1.00 50.24 C ATOM 398 CZ TYR A 141 3.885 7.616 -20.536 1.00 32.22 C ATOM 399 OH TYR A 141 3.300 8.742 -21.068 1.00 43.21 O ATOM 0 H TYR A 141 7.432 4.755 -16.713 1.00 52.13 H new ATOM 0 HA TYR A 141 4.551 4.214 -17.070 1.00 3.32 H new ATOM 0 HB2 TYR A 141 6.765 4.087 -19.147 1.00 52.32 H new ATOM 0 HB3 TYR A 141 5.254 3.218 -19.328 1.00 52.32 H new ATOM 0 HD1 TYR A 141 3.308 5.218 -18.250 1.00 63.44 H new ATOM 0 HD2 TYR A 141 6.671 5.754 -20.813 1.00 13.14 H new ATOM 0 HE1 TYR A 141 2.262 7.226 -19.201 1.00 23.35 H new ATOM 0 HE2 TYR A 141 5.631 7.766 -21.759 1.00 50.24 H new ATOM 0 HH TYR A 141 2.488 8.490 -21.555 1.00 43.21 H new ATOM 409 N CYS A 142 5.220 1.611 -17.420 1.00 43.02 N ATOM 410 CA CYS A 142 5.467 0.227 -17.055 1.00 23.35 C ATOM 411 C CYS A 142 6.352 -0.404 -18.131 1.00 63.14 C ATOM 412 O CYS A 142 6.486 0.103 -19.245 1.00 61.34 O ATOM 413 CB CYS A 142 4.163 -0.549 -16.862 1.00 14.14 C ATOM 414 SG CYS A 142 3.451 -0.991 -18.489 1.00 21.34 S ATOM 0 H CYS A 142 4.469 1.746 -18.097 1.00 43.02 H new ATOM 0 HA CYS A 142 5.981 0.189 -16.095 1.00 23.35 H new ATOM 0 HB2 CYS A 142 4.350 -1.452 -16.280 1.00 14.14 H new ATOM 0 HB3 CYS A 142 3.452 0.053 -16.296 1.00 14.14 H new ATOM 0 HG CYS A 142 2.172 -0.756 -18.481 1.00 21.34 H new ATOM 419 N ASP A 143 6.958 -1.530 -17.772 1.00 21.34 N ATOM 420 CA ASP A 143 7.834 -2.253 -18.686 1.00 64.01 C ATOM 421 C ASP A 143 7.109 -2.583 -19.987 1.00 31.01 C ATOM 422 O ASP A 143 7.685 -2.491 -21.070 1.00 64.31 O ATOM 423 CB ASP A 143 8.342 -3.538 -18.031 1.00 24.22 C ATOM 424 CG ASP A 143 9.037 -4.456 -19.018 1.00 1.24 C ATOM 425 OD1 ASP A 143 9.873 -3.960 -19.801 1.00 42.31 O ATOM 426 OD2 ASP A 143 8.744 -5.670 -19.007 1.00 50.11 O ATOM 0 H ASP A 143 6.859 -1.962 -16.853 1.00 21.34 H new ATOM 0 HA ASP A 143 8.685 -1.612 -18.917 1.00 64.01 H new ATOM 0 HB2 ASP A 143 9.033 -3.284 -17.227 1.00 24.22 H new ATOM 0 HB3 ASP A 143 7.504 -4.066 -17.576 1.00 24.22 H new ATOM 431 N GLU A 144 5.842 -2.968 -19.871 1.00 31.22 N ATOM 432 CA GLU A 144 5.039 -3.314 -21.038 1.00 41.31 C ATOM 433 C GLU A 144 5.130 -2.224 -22.102 1.00 74.05 C ATOM 434 O GLU A 144 5.670 -2.476 -23.179 1.00 14.24 O ATOM 435 CB GLU A 144 3.579 -3.528 -20.635 1.00 73.30 C ATOM 436 CG GLU A 144 2.970 -4.798 -21.206 1.00 21.13 C ATOM 437 CD GLU A 144 1.640 -5.146 -20.566 1.00 53.35 C ATOM 438 OE1 GLU A 144 1.643 -5.620 -19.411 1.00 63.42 O ATOM 439 OE2 GLU A 144 0.596 -4.944 -21.221 1.00 14.32 O ATOM 0 H GLU A 144 5.350 -3.048 -18.981 1.00 31.22 H new ATOM 0 HA GLU A 144 5.432 -4.241 -21.456 1.00 41.31 H new ATOM 0 HB2 GLU A 144 3.512 -3.560 -19.548 1.00 73.30 H new ATOM 0 HB3 GLU A 144 2.990 -2.672 -20.966 1.00 73.30 H new ATOM 0 HG2 GLU A 144 2.832 -4.679 -22.281 1.00 21.13 H new ATOM 0 HG3 GLU A 144 3.665 -5.626 -21.064 1.00 21.13 H new ATOM 446 N CYS A 145 4.605 -1.050 -21.783 1.00 35.32 N ATOM 447 CA CYS A 145 4.632 0.061 -22.718 1.00 10.51 C ATOM 448 C CYS A 145 6.093 0.390 -23.031 1.00 2.14 C ATOM 449 O CYS A 145 6.473 0.658 -24.171 1.00 51.33 O ATOM 450 CB CYS A 145 3.877 1.277 -22.174 1.00 64.55 C ATOM 451 SG CYS A 145 2.191 0.787 -21.659 1.00 22.22 S ATOM 0 H CYS A 145 4.158 -0.844 -20.889 1.00 35.32 H new ATOM 0 HA CYS A 145 4.119 -0.222 -23.637 1.00 10.51 H new ATOM 0 HB2 CYS A 145 4.416 1.701 -21.327 1.00 64.55 H new ATOM 0 HB3 CYS A 145 3.822 2.053 -22.938 1.00 64.55 H new ATOM 0 HG CYS A 145 1.388 1.803 -21.779 1.00 22.22 H new ATOM 456 N LEU A 146 6.911 0.363 -21.984 1.00 40.32 N ATOM 457 CA LEU A 146 8.334 0.654 -22.118 1.00 24.20 C ATOM 458 C LEU A 146 8.955 -0.172 -23.240 1.00 45.42 C ATOM 459 O LEU A 146 9.945 0.234 -23.850 1.00 5.05 O ATOM 460 CB LEU A 146 9.059 0.371 -20.801 1.00 13.24 C ATOM 461 CG LEU A 146 10.512 0.840 -20.720 1.00 31.33 C ATOM 462 CD1 LEU A 146 11.432 -0.151 -21.417 1.00 13.41 C ATOM 463 CD2 LEU A 146 10.660 2.227 -21.328 1.00 33.22 C ATOM 0 H LEU A 146 6.613 0.143 -21.034 1.00 40.32 H new ATOM 0 HA LEU A 146 8.442 1.710 -22.366 1.00 24.20 H new ATOM 0 HB2 LEU A 146 8.500 0.843 -19.993 1.00 13.24 H new ATOM 0 HB3 LEU A 146 9.034 -0.704 -20.620 1.00 13.24 H new ATOM 0 HG LEU A 146 10.798 0.894 -19.670 1.00 31.33 H new ATOM 0 HD11 LEU A 146 12.462 0.199 -21.349 1.00 13.41 H new ATOM 0 HD12 LEU A 146 11.348 -1.126 -20.936 1.00 13.41 H new ATOM 0 HD13 LEU A 146 11.146 -0.237 -22.465 1.00 13.41 H new ATOM 0 HD21 LEU A 146 11.701 2.544 -21.261 1.00 33.22 H new ATOM 0 HD22 LEU A 146 10.355 2.200 -22.374 1.00 33.22 H new ATOM 0 HD23 LEU A 146 10.030 2.932 -20.785 1.00 33.22 H new ATOM 475 N LYS A 147 8.366 -1.332 -23.510 1.00 44.42 N ATOM 476 CA LYS A 147 8.859 -2.214 -24.562 1.00 15.24 C ATOM 477 C LYS A 147 8.413 -1.724 -25.936 1.00 4.33 C ATOM 478 O LYS A 147 9.217 -1.637 -26.864 1.00 54.50 O ATOM 479 CB LYS A 147 8.360 -3.642 -24.332 1.00 21.42 C ATOM 480 CG LYS A 147 9.191 -4.698 -25.040 1.00 43.14 C ATOM 481 CD LYS A 147 8.503 -6.053 -25.025 1.00 2.42 C ATOM 482 CE LYS A 147 9.513 -7.190 -24.992 1.00 14.05 C ATOM 483 NZ LYS A 147 8.960 -8.403 -24.327 1.00 10.41 N ATOM 0 H LYS A 147 7.546 -1.684 -23.015 1.00 44.42 H new ATOM 0 HA LYS A 147 9.948 -2.206 -24.529 1.00 15.24 H new ATOM 0 HB2 LYS A 147 8.359 -3.850 -23.262 1.00 21.42 H new ATOM 0 HB3 LYS A 147 7.327 -3.716 -24.672 1.00 21.42 H new ATOM 0 HG2 LYS A 147 9.369 -4.391 -26.071 1.00 43.14 H new ATOM 0 HG3 LYS A 147 10.165 -4.779 -24.558 1.00 43.14 H new ATOM 0 HD2 LYS A 147 7.849 -6.121 -24.156 1.00 2.42 H new ATOM 0 HD3 LYS A 147 7.871 -6.151 -25.908 1.00 2.42 H new ATOM 0 HE2 LYS A 147 9.813 -7.439 -26.010 1.00 14.05 H new ATOM 0 HE3 LYS A 147 10.410 -6.864 -24.465 1.00 14.05 H new ATOM 0 HZ1 LYS A 147 9.678 -9.155 -24.324 1.00 10.41 H new ATOM 0 HZ2 LYS A 147 8.697 -8.172 -23.348 1.00 10.41 H new ATOM 0 HZ3 LYS A 147 8.119 -8.729 -24.844 1.00 10.41 H new ATOM 497 N ALA A 148 7.129 -1.404 -26.057 1.00 43.35 N ATOM 498 CA ALA A 148 6.579 -0.919 -27.317 1.00 51.01 C ATOM 499 C ALA A 148 7.205 0.414 -27.713 1.00 13.22 C ATOM 500 O ALA A 148 7.496 0.652 -28.885 1.00 40.15 O ATOM 501 CB ALA A 148 5.067 -0.785 -27.216 1.00 13.14 C ATOM 0 H ALA A 148 6.450 -1.472 -25.298 1.00 43.35 H new ATOM 0 HA ALA A 148 6.817 -1.647 -28.093 1.00 51.01 H new ATOM 0 HB1 ALA A 148 4.670 -0.422 -28.164 1.00 13.14 H new ATOM 0 HB2 ALA A 148 4.630 -1.757 -26.988 1.00 13.14 H new ATOM 0 HB3 ALA A 148 4.816 -0.080 -26.424 1.00 13.14 H new ATOM 507 N THR A 149 7.409 1.283 -26.727 1.00 71.41 N ATOM 508 CA THR A 149 7.998 2.593 -26.973 1.00 23.34 C ATOM 509 C THR A 149 9.515 2.499 -27.096 1.00 72.15 C ATOM 510 O THR A 149 10.100 2.983 -28.066 1.00 13.11 O ATOM 511 CB THR A 149 7.647 3.586 -25.849 1.00 51.32 C ATOM 512 OG1 THR A 149 8.179 3.125 -24.603 1.00 23.34 O ATOM 513 CG2 THR A 149 6.140 3.758 -25.730 1.00 60.14 C ATOM 0 H THR A 149 7.175 1.102 -25.751 1.00 71.41 H new ATOM 0 HA THR A 149 7.581 2.956 -27.913 1.00 23.34 H new ATOM 0 HB THR A 149 8.089 4.551 -26.097 1.00 51.32 H new ATOM 0 HG1 THR A 149 7.678 2.338 -24.305 1.00 23.34 H new ATOM 0 HG21 THR A 149 5.916 4.464 -24.930 1.00 60.14 H new ATOM 0 HG22 THR A 149 5.742 4.138 -26.671 1.00 60.14 H new ATOM 0 HG23 THR A 149 5.681 2.796 -25.504 1.00 60.14 H new ATOM 521 N HIS A 150 10.147 1.872 -26.109 1.00 50.41 N ATOM 522 CA HIS A 150 11.597 1.714 -26.109 1.00 30.02 C ATOM 523 C HIS A 150 11.985 0.260 -26.362 1.00 13.21 C ATOM 524 O HIS A 150 12.158 -0.532 -25.435 1.00 55.14 O ATOM 525 CB HIS A 150 12.182 2.186 -24.778 1.00 24.25 C ATOM 526 CG HIS A 150 11.870 3.615 -24.459 1.00 11.41 C ATOM 527 ND1 HIS A 150 11.187 4.447 -25.321 1.00 73.32 N ATOM 528 CD2 HIS A 150 12.150 4.360 -23.364 1.00 0.03 C ATOM 529 CE1 HIS A 150 11.062 5.641 -24.771 1.00 54.20 C ATOM 530 NE2 HIS A 150 11.637 5.615 -23.583 1.00 24.04 N ATOM 0 H HIS A 150 9.678 1.465 -25.300 1.00 50.41 H new ATOM 0 HA HIS A 150 12.005 2.326 -26.914 1.00 30.02 H new ATOM 0 HB2 HIS A 150 11.800 1.552 -23.978 1.00 24.25 H new ATOM 0 HB3 HIS A 150 13.264 2.055 -24.799 1.00 24.25 H new ATOM 0 HD2 HIS A 150 12.678 4.029 -22.482 1.00 0.03 H new ATOM 0 HE1 HIS A 150 10.572 6.494 -25.217 1.00 54.20 H new ATOM 0 HE2 HIS A 150 11.691 6.399 -22.933 1.00 24.04 H new ATOM 664 N HIS A 159 18.302 5.653 -25.442 1.00 60.51 N ATOM 665 CA HIS A 159 17.494 6.183 -24.350 1.00 21.14 C ATOM 666 C HIS A 159 18.088 5.798 -22.998 1.00 44.40 C ATOM 667 O HIS A 159 18.568 4.679 -22.816 1.00 14.13 O ATOM 668 CB HIS A 159 16.058 5.669 -24.453 1.00 71.22 C ATOM 669 CG HIS A 159 15.180 6.515 -25.322 1.00 51.54 C ATOM 670 ND1 HIS A 159 13.877 6.828 -24.998 1.00 13.40 N ATOM 671 CD2 HIS A 159 15.425 7.117 -26.510 1.00 3.02 C ATOM 672 CE1 HIS A 159 13.358 7.584 -25.949 1.00 50.31 C ATOM 673 NE2 HIS A 159 14.277 7.775 -26.878 1.00 64.41 N ATOM 0 HA HIS A 159 17.489 7.270 -24.430 1.00 21.14 H new ATOM 0 HB2 HIS A 159 16.072 4.652 -24.845 1.00 71.22 H new ATOM 0 HB3 HIS A 159 15.626 5.619 -23.453 1.00 71.22 H new ATOM 0 HD1 HIS A 159 13.390 6.523 -24.155 1.00 13.40 H new ATOM 0 HD2 HIS A 159 16.351 7.086 -27.065 1.00 3.02 H new ATOM 0 HE1 HIS A 159 12.353 7.979 -25.964 1.00 50.31 H new ATOM 680 N ARG A 160 18.054 6.734 -22.054 1.00 63.44 N ATOM 681 CA ARG A 160 18.591 6.493 -20.721 1.00 23.05 C ATOM 682 C ARG A 160 17.473 6.164 -19.735 1.00 42.25 C ATOM 683 O ARG A 160 16.449 6.847 -19.692 1.00 1.34 O ATOM 684 CB ARG A 160 19.371 7.715 -20.234 1.00 5.45 C ATOM 685 CG ARG A 160 20.596 8.032 -21.076 1.00 61.24 C ATOM 686 CD ARG A 160 20.900 9.522 -21.080 1.00 60.20 C ATOM 687 NE ARG A 160 22.015 9.855 -20.198 1.00 1.02 N ATOM 688 CZ ARG A 160 23.282 9.562 -20.471 1.00 75.31 C ATOM 689 NH1 ARG A 160 23.592 8.933 -21.596 1.00 71.23 N ATOM 690 NH2 ARG A 160 24.241 9.898 -19.618 1.00 53.01 N ATOM 0 H ARG A 160 17.660 7.665 -22.188 1.00 63.44 H new ATOM 0 HA ARG A 160 19.265 5.638 -20.778 1.00 23.05 H new ATOM 0 HB2 ARG A 160 18.709 8.581 -20.231 1.00 5.45 H new ATOM 0 HB3 ARG A 160 19.683 7.549 -19.203 1.00 5.45 H new ATOM 0 HG2 ARG A 160 21.456 7.485 -20.689 1.00 61.24 H new ATOM 0 HG3 ARG A 160 20.434 7.690 -22.098 1.00 61.24 H new ATOM 0 HD2 ARG A 160 21.133 9.842 -22.096 1.00 60.20 H new ATOM 0 HD3 ARG A 160 20.013 10.074 -20.768 1.00 60.20 H new ATOM 0 HE ARG A 160 21.810 10.339 -19.324 1.00 1.02 H new ATOM 0 HH11 ARG A 160 22.857 8.673 -22.254 1.00 71.23 H new ATOM 0 HH12 ARG A 160 24.565 8.709 -21.804 1.00 71.23 H new ATOM 0 HH21 ARG A 160 24.006 10.382 -18.751 1.00 53.01 H new ATOM 0 HH22 ARG A 160 25.213 9.672 -19.829 1.00 53.01 H new ATOM 704 N LEU A 161 17.676 5.114 -18.947 1.00 41.34 N ATOM 705 CA LEU A 161 16.685 4.694 -17.963 1.00 2.04 C ATOM 706 C LEU A 161 17.361 4.158 -16.705 1.00 21.13 C ATOM 707 O LEU A 161 18.138 3.204 -16.764 1.00 54.01 O ATOM 708 CB LEU A 161 15.768 3.624 -18.558 1.00 12.53 C ATOM 709 CG LEU A 161 14.949 4.046 -19.779 1.00 23.14 C ATOM 710 CD1 LEU A 161 15.582 3.514 -21.055 1.00 61.21 C ATOM 711 CD2 LEU A 161 13.513 3.561 -19.651 1.00 34.20 C ATOM 0 H LEU A 161 18.518 4.538 -18.970 1.00 41.34 H new ATOM 0 HA LEU A 161 16.088 5.564 -17.690 1.00 2.04 H new ATOM 0 HB2 LEU A 161 16.378 2.764 -18.834 1.00 12.53 H new ATOM 0 HB3 LEU A 161 15.080 3.291 -17.781 1.00 12.53 H new ATOM 0 HG LEU A 161 14.940 5.135 -19.829 1.00 23.14 H new ATOM 0 HD11 LEU A 161 14.986 3.824 -21.913 1.00 61.21 H new ATOM 0 HD12 LEU A 161 16.593 3.911 -21.153 1.00 61.21 H new ATOM 0 HD13 LEU A 161 15.622 2.425 -21.015 1.00 61.21 H new ATOM 0 HD21 LEU A 161 12.945 3.870 -20.528 1.00 34.20 H new ATOM 0 HD22 LEU A 161 13.502 2.474 -19.576 1.00 34.20 H new ATOM 0 HD23 LEU A 161 13.062 3.991 -18.757 1.00 34.20 H new ATOM 723 N ILE A 162 17.059 4.776 -15.568 1.00 31.21 N ATOM 724 CA ILE A 162 17.635 4.358 -14.296 1.00 12.24 C ATOM 725 C ILE A 162 17.459 2.859 -14.078 1.00 53.21 C ATOM 726 O ILE A 162 16.394 2.304 -14.348 1.00 10.45 O ATOM 727 CB ILE A 162 16.999 5.115 -13.115 1.00 1.15 C ATOM 728 CG1 ILE A 162 17.159 6.625 -13.303 1.00 4.14 C ATOM 729 CG2 ILE A 162 17.625 4.670 -11.801 1.00 64.15 C ATOM 730 CD1 ILE A 162 15.873 7.398 -13.110 1.00 64.12 C ATOM 0 H ILE A 162 16.419 5.568 -15.502 1.00 31.21 H new ATOM 0 HA ILE A 162 18.698 4.594 -14.339 1.00 12.24 H new ATOM 0 HB ILE A 162 15.935 4.882 -13.085 1.00 1.15 H new ATOM 0 HG12 ILE A 162 17.904 6.994 -12.598 1.00 4.14 H new ATOM 0 HG13 ILE A 162 17.544 6.820 -14.304 1.00 4.14 H new ATOM 0 HG21 ILE A 162 17.165 5.214 -10.976 1.00 64.15 H new ATOM 0 HG22 ILE A 162 17.464 3.601 -11.665 1.00 64.15 H new ATOM 0 HG23 ILE A 162 18.695 4.876 -11.820 1.00 64.15 H new ATOM 0 HD11 ILE A 162 16.062 8.461 -13.258 1.00 64.12 H new ATOM 0 HD12 ILE A 162 15.131 7.057 -13.832 1.00 64.12 H new ATOM 0 HD13 ILE A 162 15.498 7.234 -12.100 1.00 64.12 H new ATOM 894 N LEU A 173 21.435 -4.420 -7.924 1.00 12.10 N ATOM 895 CA LEU A 173 21.507 -3.678 -9.178 1.00 70.11 C ATOM 896 C LEU A 173 22.361 -2.424 -9.021 1.00 20.14 C ATOM 897 O LEU A 173 22.497 -1.888 -7.921 1.00 51.14 O ATOM 898 CB LEU A 173 20.103 -3.297 -9.649 1.00 54.43 C ATOM 899 CG LEU A 173 19.010 -4.340 -9.415 1.00 55.13 C ATOM 900 CD1 LEU A 173 18.078 -3.896 -8.298 1.00 50.23 C ATOM 901 CD2 LEU A 173 18.228 -4.590 -10.697 1.00 14.23 C ATOM 0 HA LEU A 173 21.972 -4.321 -9.925 1.00 70.11 H new ATOM 0 HB2 LEU A 173 19.811 -2.375 -9.147 1.00 54.43 H new ATOM 0 HB3 LEU A 173 20.146 -3.079 -10.716 1.00 54.43 H new ATOM 0 HG LEU A 173 19.485 -5.274 -9.114 1.00 55.13 H new ATOM 0 HD11 LEU A 173 17.307 -4.651 -8.146 1.00 50.23 H new ATOM 0 HD12 LEU A 173 18.648 -3.769 -7.378 1.00 50.23 H new ATOM 0 HD13 LEU A 173 17.611 -2.949 -8.569 1.00 50.23 H new ATOM 0 HD21 LEU A 173 17.454 -5.335 -10.512 1.00 14.23 H new ATOM 0 HD22 LEU A 173 17.765 -3.660 -11.028 1.00 14.23 H new ATOM 0 HD23 LEU A 173 18.904 -4.954 -11.471 1.00 14.23 H new ATOM 913 N MET A 174 22.933 -1.961 -10.127 1.00 73.14 N ATOM 914 CA MET A 174 23.771 -0.768 -10.112 1.00 52.34 C ATOM 915 C MET A 174 23.076 0.394 -10.816 1.00 71.42 C ATOM 916 O MET A 174 22.044 0.181 -11.451 1.00 41.33 O ATOM 917 CB MET A 174 25.116 -1.054 -10.783 1.00 33.51 C ATOM 918 CG MET A 174 26.313 -0.755 -9.896 1.00 22.34 C ATOM 919 SD MET A 174 27.863 -1.353 -10.596 1.00 44.44 S ATOM 920 CE MET A 174 27.744 -0.721 -12.268 1.00 65.44 C ATOM 0 H MET A 174 22.832 -2.394 -11.045 1.00 73.14 H new ATOM 0 HA MET A 174 23.944 -0.490 -9.072 1.00 52.34 H new ATOM 0 HB2 MET A 174 25.148 -2.102 -11.082 1.00 33.51 H new ATOM 0 HB3 MET A 174 25.192 -0.460 -11.694 1.00 33.51 H new ATOM 0 HG2 MET A 174 26.382 0.321 -9.736 1.00 22.34 H new ATOM 0 HG3 MET A 174 26.160 -1.213 -8.919 1.00 22.34 H new ATOM 0 HE1 MET A 174 28.726 -0.754 -12.740 1.00 65.44 H new ATOM 0 HE2 MET A 174 27.046 -1.333 -12.839 1.00 65.44 H new ATOM 0 HE3 MET A 174 27.388 0.309 -12.243 1.00 65.44 H new ATOM 930 N CYS A 175 23.648 1.582 -10.690 1.00 64.30 N ATOM 931 CA CYS A 175 23.074 2.760 -11.318 1.00 30.35 C ATOM 932 C CYS A 175 23.546 2.807 -12.772 1.00 54.32 C ATOM 933 O CYS A 175 24.297 1.952 -13.244 1.00 55.40 O ATOM 934 CB CYS A 175 23.435 4.038 -10.558 1.00 41.03 C ATOM 935 SG CYS A 175 21.948 5.084 -10.352 1.00 10.34 S ATOM 0 H CYS A 175 24.504 1.754 -10.162 1.00 64.30 H new ATOM 0 HA CYS A 175 21.986 2.696 -11.293 1.00 30.35 H new ATOM 0 HB2 CYS A 175 23.850 3.786 -9.582 1.00 41.03 H new ATOM 0 HB3 CYS A 175 24.205 4.588 -11.100 1.00 41.03 H new ATOM 0 HG CYS A 175 22.092 5.841 -9.305 1.00 10.34 H new ATOM 940 N LEU A 176 23.085 3.834 -13.478 1.00 42.03 N ATOM 941 CA LEU A 176 23.443 4.020 -14.880 1.00 43.51 C ATOM 942 C LEU A 176 24.953 4.170 -15.041 1.00 53.13 C ATOM 943 O LEU A 176 25.597 3.365 -15.713 1.00 1.32 O ATOM 944 CB LEU A 176 22.734 5.250 -15.449 1.00 12.50 C ATOM 945 CG LEU A 176 21.372 5.000 -16.097 1.00 34.21 C ATOM 946 CD1 LEU A 176 20.420 6.149 -15.802 1.00 4.05 C ATOM 947 CD2 LEU A 176 21.523 4.803 -17.598 1.00 62.12 C ATOM 0 H LEU A 176 22.463 4.550 -13.103 1.00 42.03 H new ATOM 0 HA LEU A 176 23.123 3.136 -15.431 1.00 43.51 H new ATOM 0 HB2 LEU A 176 22.604 5.974 -14.645 1.00 12.50 H new ATOM 0 HB3 LEU A 176 23.387 5.711 -16.190 1.00 12.50 H new ATOM 0 HG LEU A 176 20.952 4.089 -15.671 1.00 34.21 H new ATOM 0 HD11 LEU A 176 19.456 5.953 -16.272 1.00 4.05 H new ATOM 0 HD12 LEU A 176 20.286 6.243 -14.724 1.00 4.05 H new ATOM 0 HD13 LEU A 176 20.835 7.076 -16.198 1.00 4.05 H new ATOM 0 HD21 LEU A 176 20.543 4.626 -18.042 1.00 62.12 H new ATOM 0 HD22 LEU A 176 21.966 5.696 -18.039 1.00 62.12 H new ATOM 0 HD23 LEU A 176 22.168 3.945 -17.789 1.00 62.12 H new ATOM 959 N GLU A 177 25.510 5.204 -14.419 1.00 15.42 N ATOM 960 CA GLU A 177 26.944 5.458 -14.493 1.00 34.23 C ATOM 961 C GLU A 177 27.521 5.728 -13.106 1.00 55.31 C ATOM 962 O GLU A 177 28.226 6.716 -12.897 1.00 23.53 O ATOM 963 CB GLU A 177 27.227 6.645 -15.416 1.00 24.24 C ATOM 964 CG GLU A 177 27.242 6.279 -16.890 1.00 53.44 C ATOM 965 CD GLU A 177 27.040 7.482 -17.791 1.00 43.25 C ATOM 966 OE1 GLU A 177 26.026 8.190 -17.619 1.00 43.22 O ATOM 967 OE2 GLU A 177 27.898 7.715 -18.669 1.00 53.32 O ATOM 0 H GLU A 177 24.990 5.879 -13.858 1.00 15.42 H new ATOM 0 HA GLU A 177 27.424 4.568 -14.900 1.00 34.23 H new ATOM 0 HB2 GLU A 177 26.472 7.413 -15.249 1.00 24.24 H new ATOM 0 HB3 GLU A 177 28.190 7.081 -15.149 1.00 24.24 H new ATOM 0 HG2 GLU A 177 28.192 5.803 -17.133 1.00 53.44 H new ATOM 0 HG3 GLU A 177 26.459 5.547 -17.087 1.00 53.44 H new ATOM 974 N HIS A 178 27.215 4.844 -12.162 1.00 15.45 N ATOM 975 CA HIS A 178 27.702 4.987 -10.794 1.00 41.03 C ATOM 976 C HIS A 178 28.091 3.631 -10.212 1.00 44.52 C ATOM 977 O HIS A 178 27.331 3.030 -9.455 1.00 73.20 O ATOM 978 CB HIS A 178 26.637 5.645 -9.917 1.00 1.14 C ATOM 979 CG HIS A 178 26.260 7.024 -10.365 1.00 32.54 C ATOM 980 ND1 HIS A 178 24.953 7.421 -10.556 1.00 45.42 N ATOM 981 CD2 HIS A 178 27.026 8.100 -10.658 1.00 2.14 C ATOM 982 CE1 HIS A 178 24.933 8.682 -10.949 1.00 52.53 C ATOM 983 NE2 HIS A 178 26.178 9.118 -11.018 1.00 71.13 N ATOM 0 H HIS A 178 26.633 4.021 -12.319 1.00 15.45 H new ATOM 0 HA HIS A 178 28.588 5.622 -10.814 1.00 41.03 H new ATOM 0 HB2 HIS A 178 25.746 5.018 -9.910 1.00 1.14 H new ATOM 0 HB3 HIS A 178 27.002 5.692 -8.891 1.00 1.14 H new ATOM 0 HD2 HIS A 178 28.104 8.149 -10.616 1.00 2.14 H new ATOM 0 HE1 HIS A 178 24.048 9.259 -11.176 1.00 52.53 H new ATOM 0 HE2 HIS A 178 26.463 10.058 -11.294 1.00 71.13 H new ATOM 990 N GLU A 179 29.280 3.158 -10.572 1.00 62.51 N ATOM 991 CA GLU A 179 29.768 1.872 -10.086 1.00 44.31 C ATOM 992 C GLU A 179 30.342 2.005 -8.678 1.00 53.21 C ATOM 993 O GLU A 179 30.260 1.078 -7.873 1.00 33.51 O ATOM 994 CB GLU A 179 30.834 1.316 -11.032 1.00 64.22 C ATOM 995 CG GLU A 179 32.014 2.251 -11.237 1.00 63.12 C ATOM 996 CD GLU A 179 33.272 1.763 -10.545 1.00 44.14 C ATOM 997 OE1 GLU A 179 33.979 0.915 -11.130 1.00 4.41 O ATOM 998 OE2 GLU A 179 33.550 2.228 -9.420 1.00 51.24 O ATOM 0 H GLU A 179 29.922 3.645 -11.197 1.00 62.51 H new ATOM 0 HA GLU A 179 28.925 1.181 -10.053 1.00 44.31 H new ATOM 0 HB2 GLU A 179 31.198 0.367 -10.638 1.00 64.22 H new ATOM 0 HB3 GLU A 179 30.376 1.106 -11.998 1.00 64.22 H new ATOM 0 HG2 GLU A 179 32.208 2.356 -12.304 1.00 63.12 H new ATOM 0 HG3 GLU A 179 31.758 3.241 -10.861 1.00 63.12 H new ATOM 1005 N ASP A 180 30.922 3.165 -8.389 1.00 63.43 N ATOM 1006 CA ASP A 180 31.509 3.420 -7.079 1.00 42.30 C ATOM 1007 C ASP A 180 30.424 3.568 -6.017 1.00 21.31 C ATOM 1008 O ASP A 180 30.697 3.474 -4.821 1.00 1.42 O ATOM 1009 CB ASP A 180 32.374 4.681 -7.121 1.00 53.31 C ATOM 1010 CG ASP A 180 33.120 4.915 -5.822 1.00 50.24 C ATOM 1011 OD1 ASP A 180 33.469 3.922 -5.151 1.00 31.52 O ATOM 1012 OD2 ASP A 180 33.356 6.092 -5.478 1.00 30.11 O ATOM 0 H ASP A 180 30.998 3.943 -9.044 1.00 63.43 H new ATOM 0 HA ASP A 180 32.135 2.567 -6.817 1.00 42.30 H new ATOM 0 HB2 ASP A 180 33.090 4.600 -7.938 1.00 53.31 H new ATOM 0 HB3 ASP A 180 31.743 5.544 -7.335 1.00 53.31 H new ATOM 1017 N GLU A 181 29.194 3.799 -6.463 1.00 54.44 N ATOM 1018 CA GLU A 181 28.068 3.962 -5.550 1.00 63.33 C ATOM 1019 C GLU A 181 26.862 3.156 -6.025 1.00 1.51 C ATOM 1020 O GLU A 181 26.310 3.415 -7.095 1.00 23.13 O ATOM 1021 CB GLU A 181 27.692 5.440 -5.427 1.00 21.32 C ATOM 1022 CG GLU A 181 27.512 5.904 -3.991 1.00 42.13 C ATOM 1023 CD GLU A 181 26.209 5.425 -3.382 1.00 70.30 C ATOM 1024 OE1 GLU A 181 26.039 4.197 -3.233 1.00 25.33 O ATOM 1025 OE2 GLU A 181 25.359 6.279 -3.054 1.00 74.33 O ATOM 0 H GLU A 181 28.951 3.878 -7.451 1.00 54.44 H new ATOM 0 HA GLU A 181 28.370 3.589 -4.571 1.00 63.33 H new ATOM 0 HB2 GLU A 181 28.466 6.044 -5.901 1.00 21.32 H new ATOM 0 HB3 GLU A 181 26.768 5.618 -5.976 1.00 21.32 H new ATOM 0 HG2 GLU A 181 28.345 5.541 -3.389 1.00 42.13 H new ATOM 0 HG3 GLU A 181 27.545 6.993 -3.958 1.00 42.13 H new ATOM 1032 N LYS A 182 26.458 2.178 -5.221 1.00 51.44 N ATOM 1033 CA LYS A 182 25.317 1.334 -5.557 1.00 2.45 C ATOM 1034 C LYS A 182 24.005 2.025 -5.197 1.00 24.30 C ATOM 1035 O LYS A 182 23.997 3.039 -4.500 1.00 51.51 O ATOM 1036 CB LYS A 182 25.417 -0.007 -4.826 1.00 51.23 C ATOM 1037 CG LYS A 182 25.410 -1.208 -5.756 1.00 53.32 C ATOM 1038 CD LYS A 182 25.836 -2.475 -5.034 1.00 14.11 C ATOM 1039 CE LYS A 182 25.344 -3.720 -5.756 1.00 60.00 C ATOM 1040 NZ LYS A 182 26.275 -4.136 -6.841 1.00 40.33 N ATOM 0 H LYS A 182 26.904 1.950 -4.332 1.00 51.44 H new ATOM 0 HA LYS A 182 25.331 1.157 -6.632 1.00 2.45 H new ATOM 0 HB2 LYS A 182 26.332 -0.021 -4.234 1.00 51.23 H new ATOM 0 HB3 LYS A 182 24.585 -0.094 -4.128 1.00 51.23 H new ATOM 0 HG2 LYS A 182 24.411 -1.343 -6.170 1.00 53.32 H new ATOM 0 HG3 LYS A 182 26.081 -1.023 -6.595 1.00 53.32 H new ATOM 0 HD2 LYS A 182 26.923 -2.503 -4.957 1.00 14.11 H new ATOM 0 HD3 LYS A 182 25.445 -2.464 -4.017 1.00 14.11 H new ATOM 0 HE2 LYS A 182 25.233 -4.535 -5.040 1.00 60.00 H new ATOM 0 HE3 LYS A 182 24.357 -3.529 -6.178 1.00 60.00 H new ATOM 0 HZ1 LYS A 182 25.904 -4.988 -7.309 1.00 40.33 H new ATOM 0 HZ2 LYS A 182 26.362 -3.368 -7.537 1.00 40.33 H new ATOM 0 HZ3 LYS A 182 27.210 -4.343 -6.436 1.00 40.33 H new ATOM 1054 N VAL A 183 22.898 1.467 -5.676 1.00 33.03 N ATOM 1055 CA VAL A 183 21.580 2.028 -5.402 1.00 71.43 C ATOM 1056 C VAL A 183 21.089 1.627 -4.016 1.00 1.14 C ATOM 1057 O VAL A 183 20.967 0.442 -3.708 1.00 0.44 O ATOM 1058 CB VAL A 183 20.548 1.573 -6.451 1.00 72.43 C ATOM 1059 CG1 VAL A 183 20.856 2.190 -7.807 1.00 23.12 C ATOM 1060 CG2 VAL A 183 20.515 0.054 -6.543 1.00 4.54 C ATOM 0 H VAL A 183 22.887 0.628 -6.255 1.00 33.03 H new ATOM 0 HA VAL A 183 21.682 3.112 -5.449 1.00 71.43 H new ATOM 0 HB VAL A 183 19.562 1.917 -6.137 1.00 72.43 H new ATOM 0 HG11 VAL A 183 20.116 1.857 -8.535 1.00 23.12 H new ATOM 0 HG12 VAL A 183 20.824 3.277 -7.728 1.00 23.12 H new ATOM 0 HG13 VAL A 183 21.849 1.879 -8.131 1.00 23.12 H new ATOM 0 HG21 VAL A 183 19.780 -0.249 -7.289 1.00 4.54 H new ATOM 0 HG22 VAL A 183 21.499 -0.314 -6.832 1.00 4.54 H new ATOM 0 HG23 VAL A 183 20.242 -0.363 -5.574 1.00 4.54 H new ATOM 1070 N ASN A 184 20.809 2.624 -3.182 1.00 74.15 N ATOM 1071 CA ASN A 184 20.331 2.376 -1.827 1.00 73.31 C ATOM 1072 C ASN A 184 19.112 3.238 -1.514 1.00 33.13 C ATOM 1073 O ASN A 184 18.815 3.511 -0.351 1.00 54.22 O ATOM 1074 CB ASN A 184 21.442 2.656 -0.813 1.00 73.40 C ATOM 1075 CG ASN A 184 22.070 4.022 -1.006 1.00 40.23 C ATOM 1076 OD1 ASN A 184 22.857 4.231 -1.930 1.00 74.01 O ATOM 1077 ND2 ASN A 184 21.725 4.961 -0.133 1.00 32.12 N ATOM 0 H ASN A 184 20.905 3.611 -3.421 1.00 74.15 H new ATOM 0 HA ASN A 184 20.040 1.328 -1.757 1.00 73.31 H new ATOM 0 HB2 ASN A 184 21.036 2.585 0.196 1.00 73.40 H new ATOM 0 HB3 ASN A 184 22.212 1.889 -0.901 1.00 73.40 H new ATOM 0 HD21 ASN A 184 22.116 5.900 -0.213 1.00 32.12 H new ATOM 0 HD22 ASN A 184 21.069 4.744 0.617 1.00 32.12 H new ATOM 1084 N MET A 185 18.409 3.662 -2.559 1.00 45.42 N ATOM 1085 CA MET A 185 17.221 4.492 -2.395 1.00 44.02 C ATOM 1086 C MET A 185 16.149 4.112 -3.411 1.00 14.11 C ATOM 1087 O MET A 185 16.386 3.299 -4.304 1.00 63.32 O ATOM 1088 CB MET A 185 17.581 5.971 -2.546 1.00 5.34 C ATOM 1089 CG MET A 185 17.632 6.722 -1.225 1.00 31.23 C ATOM 1090 SD MET A 185 19.272 7.377 -0.860 1.00 54.12 S ATOM 1091 CE MET A 185 19.327 7.180 0.919 1.00 0.42 C ATOM 0 H MET A 185 18.641 3.445 -3.528 1.00 45.42 H new ATOM 0 HA MET A 185 16.825 4.322 -1.394 1.00 44.02 H new ATOM 0 HB2 MET A 185 18.550 6.052 -3.038 1.00 5.34 H new ATOM 0 HB3 MET A 185 16.851 6.449 -3.199 1.00 5.34 H new ATOM 0 HG2 MET A 185 16.915 7.542 -1.250 1.00 31.23 H new ATOM 0 HG3 MET A 185 17.324 6.054 -0.420 1.00 31.23 H new ATOM 0 HE1 MET A 185 20.284 7.542 1.296 1.00 0.42 H new ATOM 0 HE2 MET A 185 18.518 7.752 1.374 1.00 0.42 H new ATOM 0 HE3 MET A 185 19.213 6.126 1.172 1.00 0.42 H new ATOM 1101 N TYR A 186 14.969 4.705 -3.268 1.00 34.11 N ATOM 1102 CA TYR A 186 13.859 4.426 -4.171 1.00 53.14 C ATOM 1103 C TYR A 186 13.042 5.687 -4.436 1.00 52.22 C ATOM 1104 O TYR A 186 12.777 6.442 -3.502 1.00 35.43 O ATOM 1105 CB TYR A 186 12.959 3.336 -3.587 1.00 22.22 C ATOM 1106 CG TYR A 186 11.841 2.912 -4.513 1.00 4.14 C ATOM 1107 CD1 TYR A 186 12.025 1.887 -5.432 1.00 30.31 C ATOM 1108 CD2 TYR A 186 10.601 3.537 -4.467 1.00 60.21 C ATOM 1109 CE1 TYR A 186 11.007 1.497 -6.280 1.00 53.01 C ATOM 1110 CE2 TYR A 186 9.576 3.153 -5.310 1.00 65.35 C ATOM 1111 CZ TYR A 186 9.784 2.133 -6.215 1.00 63.35 C ATOM 1112 OH TYR A 186 8.767 1.747 -7.058 1.00 31.53 O ATOM 0 H TYR A 186 14.757 5.382 -2.535 1.00 34.11 H new ATOM 0 HA TYR A 186 14.273 4.077 -5.117 1.00 53.14 H new ATOM 0 HB2 TYR A 186 13.568 2.465 -3.344 1.00 22.22 H new ATOM 0 HB3 TYR A 186 12.529 3.695 -2.652 1.00 22.22 H new ATOM 0 HD1 TYR A 186 12.981 1.386 -5.484 1.00 30.31 H new ATOM 0 HD2 TYR A 186 10.436 4.337 -3.760 1.00 60.21 H new ATOM 0 HE1 TYR A 186 11.167 0.699 -6.990 1.00 53.01 H new ATOM 0 HE2 TYR A 186 8.618 3.648 -5.261 1.00 65.35 H new ATOM 0 HH TYR A 186 9.146 1.308 -7.848 1.00 31.53 H new ATOM 1122 N CYS A 187 12.665 5.885 -5.691 1.00 12.21 N ATOM 1123 CA CYS A 187 11.882 7.052 -6.062 1.00 23.02 C ATOM 1124 C CYS A 187 10.438 6.606 -6.300 1.00 2.10 C ATOM 1125 O CYS A 187 10.165 5.591 -6.941 1.00 43.21 O ATOM 1126 CB CYS A 187 12.469 7.762 -7.284 1.00 23.44 C ATOM 1127 SG CYS A 187 11.456 9.226 -7.704 1.00 11.45 S ATOM 0 H CYS A 187 12.887 5.257 -6.464 1.00 12.21 H new ATOM 0 HA CYS A 187 11.907 7.782 -5.253 1.00 23.02 H new ATOM 0 HB2 CYS A 187 13.495 8.066 -7.080 1.00 23.44 H new ATOM 0 HB3 CYS A 187 12.502 7.077 -8.131 1.00 23.44 H new ATOM 0 HG CYS A 187 12.231 10.188 -8.110 1.00 11.45 H new ATOM 1132 N VAL A 188 9.511 7.394 -5.765 1.00 4.34 N ATOM 1133 CA VAL A 188 8.089 7.106 -5.904 1.00 60.21 C ATOM 1134 C VAL A 188 7.541 7.662 -7.214 1.00 23.32 C ATOM 1135 O VAL A 188 6.862 6.960 -7.964 1.00 64.32 O ATOM 1136 CB VAL A 188 7.280 7.692 -4.732 1.00 52.10 C ATOM 1137 CG1 VAL A 188 5.801 7.371 -4.890 1.00 25.20 C ATOM 1138 CG2 VAL A 188 7.809 7.169 -3.405 1.00 71.43 C ATOM 0 H VAL A 188 9.720 8.238 -5.231 1.00 4.34 H new ATOM 0 HA VAL A 188 7.984 6.021 -5.901 1.00 60.21 H new ATOM 0 HB VAL A 188 7.395 8.776 -4.741 1.00 52.10 H new ATOM 0 HG11 VAL A 188 5.246 7.793 -4.053 1.00 25.20 H new ATOM 0 HG12 VAL A 188 5.433 7.800 -5.822 1.00 25.20 H new ATOM 0 HG13 VAL A 188 5.663 6.290 -4.909 1.00 25.20 H new ATOM 0 HG21 VAL A 188 7.226 7.594 -2.588 1.00 71.43 H new ATOM 0 HG22 VAL A 188 7.727 6.082 -3.383 1.00 71.43 H new ATOM 0 HG23 VAL A 188 8.854 7.456 -3.292 1.00 71.43 H new ATOM 1148 N THR A 189 7.841 8.928 -7.484 1.00 41.41 N ATOM 1149 CA THR A 189 7.379 9.580 -8.703 1.00 74.11 C ATOM 1150 C THR A 189 7.724 8.751 -9.935 1.00 23.23 C ATOM 1151 O THR A 189 7.014 8.789 -10.939 1.00 71.55 O ATOM 1152 CB THR A 189 7.991 10.985 -8.856 1.00 14.11 C ATOM 1153 OG1 THR A 189 7.733 11.762 -7.681 1.00 55.32 O ATOM 1154 CG2 THR A 189 7.420 11.694 -10.075 1.00 10.33 C ATOM 0 H THR A 189 8.402 9.523 -6.875 1.00 41.41 H new ATOM 0 HA THR A 189 6.296 9.671 -8.621 1.00 74.11 H new ATOM 0 HB THR A 189 9.067 10.876 -8.990 1.00 14.11 H new ATOM 0 HG1 THR A 189 8.127 12.653 -7.785 1.00 55.32 H new ATOM 0 HG21 THR A 189 7.867 12.684 -10.163 1.00 10.33 H new ATOM 0 HG22 THR A 189 7.643 11.115 -10.971 1.00 10.33 H new ATOM 0 HG23 THR A 189 6.340 11.792 -9.966 1.00 10.33 H new ATOM 1162 N ASP A 190 8.819 8.002 -9.850 1.00 55.41 N ATOM 1163 CA ASP A 190 9.258 7.162 -10.958 1.00 75.20 C ATOM 1164 C ASP A 190 9.018 5.687 -10.650 1.00 14.23 C ATOM 1165 O ASP A 190 8.965 4.854 -11.555 1.00 0.24 O ATOM 1166 CB ASP A 190 10.740 7.400 -11.251 1.00 32.14 C ATOM 1167 CG ASP A 190 11.061 8.867 -11.458 1.00 74.03 C ATOM 1168 OD1 ASP A 190 10.113 9.663 -11.623 1.00 2.53 O ATOM 1169 OD2 ASP A 190 12.259 9.219 -11.457 1.00 61.55 O ATOM 0 H ASP A 190 9.418 7.960 -9.026 1.00 55.41 H new ATOM 0 HA ASP A 190 8.674 7.431 -11.838 1.00 75.20 H new ATOM 0 HB2 ASP A 190 11.337 7.013 -10.425 1.00 32.14 H new ATOM 0 HB3 ASP A 190 11.026 6.839 -12.141 1.00 32.14 H new ATOM 1174 N ASP A 191 8.874 5.372 -9.367 1.00 52.22 N ATOM 1175 CA ASP A 191 8.639 3.998 -8.939 1.00 65.01 C ATOM 1176 C ASP A 191 9.831 3.110 -9.286 1.00 14.21 C ATOM 1177 O ASP A 191 9.672 1.918 -9.548 1.00 1.23 O ATOM 1178 CB ASP A 191 7.370 3.447 -9.591 1.00 43.42 C ATOM 1179 CG ASP A 191 6.559 2.586 -8.643 1.00 51.41 C ATOM 1180 OD1 ASP A 191 6.308 3.032 -7.504 1.00 11.33 O ATOM 1181 OD2 ASP A 191 6.174 1.467 -9.041 1.00 3.12 O ATOM 0 H ASP A 191 8.916 6.050 -8.606 1.00 52.22 H new ATOM 0 HA ASP A 191 8.511 3.998 -7.857 1.00 65.01 H new ATOM 0 HB2 ASP A 191 6.755 4.276 -9.940 1.00 43.42 H new ATOM 0 HB3 ASP A 191 7.641 2.860 -10.468 1.00 43.42 H new ATOM 1186 N GLN A 192 11.022 3.700 -9.287 1.00 14.25 N ATOM 1187 CA GLN A 192 12.239 2.962 -9.603 1.00 52.51 C ATOM 1188 C GLN A 192 13.267 3.104 -8.486 1.00 45.42 C ATOM 1189 O GLN A 192 13.047 3.827 -7.513 1.00 44.12 O ATOM 1190 CB GLN A 192 12.831 3.457 -10.924 1.00 20.00 C ATOM 1191 CG GLN A 192 12.473 2.584 -12.116 1.00 0.11 C ATOM 1192 CD GLN A 192 13.561 2.562 -13.171 1.00 43.21 C ATOM 1193 OE1 GLN A 192 14.086 3.606 -13.560 1.00 55.24 O ATOM 1194 NE2 GLN A 192 13.907 1.369 -13.640 1.00 45.23 N ATOM 0 H GLN A 192 11.170 4.686 -9.073 1.00 14.25 H new ATOM 0 HA GLN A 192 11.980 1.908 -9.701 1.00 52.51 H new ATOM 0 HB2 GLN A 192 12.483 4.473 -11.111 1.00 20.00 H new ATOM 0 HB3 GLN A 192 13.916 3.504 -10.831 1.00 20.00 H new ATOM 0 HG2 GLN A 192 12.284 1.567 -11.773 1.00 0.11 H new ATOM 0 HG3 GLN A 192 11.547 2.947 -12.562 1.00 0.11 H new ATOM 0 HE21 GLN A 192 13.446 0.530 -13.289 1.00 45.23 H new ATOM 0 HE22 GLN A 192 14.634 1.292 -14.351 1.00 45.23 H new ATOM 1203 N LEU A 193 14.391 2.411 -8.632 1.00 31.42 N ATOM 1204 CA LEU A 193 15.455 2.459 -7.635 1.00 34.14 C ATOM 1205 C LEU A 193 16.514 3.487 -8.018 1.00 62.11 C ATOM 1206 O LEU A 193 16.784 3.704 -9.200 1.00 34.30 O ATOM 1207 CB LEU A 193 16.098 1.080 -7.480 1.00 22.15 C ATOM 1208 CG LEU A 193 15.327 0.071 -6.627 1.00 40.33 C ATOM 1209 CD1 LEU A 193 15.810 -1.343 -6.907 1.00 21.44 C ATOM 1210 CD2 LEU A 193 15.469 0.403 -5.149 1.00 1.30 C ATOM 0 H LEU A 193 14.589 1.809 -9.431 1.00 31.42 H new ATOM 0 HA LEU A 193 15.015 2.756 -6.683 1.00 34.14 H new ATOM 0 HB2 LEU A 193 16.239 0.653 -8.473 1.00 22.15 H new ATOM 0 HB3 LEU A 193 17.089 1.210 -7.046 1.00 22.15 H new ATOM 0 HG LEU A 193 14.271 0.131 -6.892 1.00 40.33 H new ATOM 0 HD11 LEU A 193 15.250 -2.047 -6.291 1.00 21.44 H new ATOM 0 HD12 LEU A 193 15.655 -1.579 -7.960 1.00 21.44 H new ATOM 0 HD13 LEU A 193 16.871 -1.418 -6.671 1.00 21.44 H new ATOM 0 HD21 LEU A 193 14.914 -0.325 -4.558 1.00 1.30 H new ATOM 0 HD22 LEU A 193 16.522 0.372 -4.869 1.00 1.30 H new ATOM 0 HD23 LEU A 193 15.073 1.401 -4.961 1.00 1.30 H new ATOM 1222 N ILE A 194 17.113 4.115 -7.012 1.00 40.20 N ATOM 1223 CA ILE A 194 18.145 5.118 -7.244 1.00 65.53 C ATOM 1224 C ILE A 194 19.241 5.033 -6.187 1.00 1.40 C ATOM 1225 O ILE A 194 19.123 4.234 -5.259 1.00 41.24 O ATOM 1226 CB ILE A 194 17.558 6.541 -7.246 1.00 52.12 C ATOM 1227 CG1 ILE A 194 16.923 6.856 -5.890 1.00 51.11 C ATOM 1228 CG2 ILE A 194 16.536 6.691 -8.363 1.00 72.42 C ATOM 1229 CD1 ILE A 194 16.554 8.313 -5.719 1.00 43.14 C ATOM 0 H ILE A 194 16.901 3.947 -6.028 1.00 40.20 H new ATOM 0 HA ILE A 194 18.572 4.910 -8.225 1.00 65.53 H new ATOM 0 HB ILE A 194 18.366 7.251 -7.422 1.00 52.12 H new ATOM 0 HG12 ILE A 194 16.028 6.246 -5.767 1.00 51.11 H new ATOM 0 HG13 ILE A 194 17.615 6.570 -5.098 1.00 51.11 H new ATOM 0 HG21 ILE A 194 16.130 7.703 -8.351 1.00 72.42 H new ATOM 0 HG22 ILE A 194 17.017 6.504 -9.323 1.00 72.42 H new ATOM 0 HG23 ILE A 194 15.728 5.974 -8.216 1.00 72.42 H new ATOM 0 HD11 ILE A 194 16.109 8.463 -4.735 1.00 43.14 H new ATOM 0 HD12 ILE A 194 17.449 8.928 -5.810 1.00 43.14 H new ATOM 0 HD13 ILE A 194 15.837 8.600 -6.489 1.00 43.14 H new ATOM 1241 N CYS A 195 20.271 5.852 -6.346 1.00 60.52 N ATOM 1242 CA CYS A 195 21.373 5.860 -5.399 1.00 41.33 C ATOM 1243 C CYS A 195 21.404 7.226 -4.711 1.00 43.51 C ATOM 1244 O CYS A 195 20.943 8.236 -5.243 1.00 63.34 O ATOM 1245 CB CYS A 195 22.705 5.533 -6.078 1.00 33.30 C ATOM 1246 SG CYS A 195 23.180 6.889 -7.211 1.00 2.03 S ATOM 0 H CYS A 195 20.365 6.514 -7.116 1.00 60.52 H new ATOM 0 HA CYS A 195 21.220 5.081 -4.652 1.00 41.33 H new ATOM 0 HB2 CYS A 195 23.480 5.388 -5.326 1.00 33.30 H new ATOM 0 HB3 CYS A 195 22.620 4.598 -6.632 1.00 33.30 H new ATOM 0 HG CYS A 195 22.126 7.319 -7.839 1.00 2.03 H new ATOM 1251 N ALA A 196 21.963 7.235 -3.505 1.00 42.44 N ATOM 1252 CA ALA A 196 22.071 8.460 -2.722 1.00 52.03 C ATOM 1253 C ALA A 196 22.807 9.546 -3.500 1.00 22.23 C ATOM 1254 O ALA A 196 22.569 10.738 -3.299 1.00 32.50 O ATOM 1255 CB ALA A 196 22.776 8.183 -1.403 1.00 31.51 C ATOM 0 H ALA A 196 22.348 6.408 -3.049 1.00 42.44 H new ATOM 0 HA ALA A 196 21.063 8.819 -2.514 1.00 52.03 H new ATOM 0 HB1 ALA A 196 22.850 9.107 -0.829 1.00 31.51 H new ATOM 0 HB2 ALA A 196 22.208 7.447 -0.835 1.00 31.51 H new ATOM 0 HB3 ALA A 196 23.776 7.797 -1.599 1.00 31.51 H new ATOM 1261 N LEU A 197 23.703 9.127 -4.387 1.00 11.31 N ATOM 1262 CA LEU A 197 24.475 10.065 -5.195 1.00 24.23 C ATOM 1263 C LEU A 197 23.596 10.727 -6.251 1.00 20.14 C ATOM 1264 O LEU A 197 23.953 11.794 -6.748 1.00 74.34 O ATOM 1265 CB LEU A 197 25.646 9.345 -5.867 1.00 74.05 C ATOM 1266 CG LEU A 197 26.684 10.240 -6.546 1.00 34.14 C ATOM 1267 CD1 LEU A 197 27.701 10.740 -5.532 1.00 12.22 C ATOM 1268 CD2 LEU A 197 27.377 9.491 -7.675 1.00 11.43 C ATOM 0 H LEU A 197 23.913 8.145 -4.565 1.00 11.31 H new ATOM 0 HA LEU A 197 24.863 10.841 -4.535 1.00 24.23 H new ATOM 0 HB2 LEU A 197 26.153 8.740 -5.116 1.00 74.05 H new ATOM 0 HB3 LEU A 197 25.245 8.658 -6.612 1.00 74.05 H new ATOM 0 HG LEU A 197 26.171 11.103 -6.971 1.00 34.14 H new ATOM 0 HD11 LEU A 197 28.432 11.375 -6.033 1.00 12.22 H new ATOM 0 HD12 LEU A 197 27.191 11.314 -4.758 1.00 12.22 H new ATOM 0 HD13 LEU A 197 28.210 9.890 -5.078 1.00 12.22 H new ATOM 0 HD21 LEU A 197 28.112 10.143 -8.147 1.00 11.43 H new ATOM 0 HD22 LEU A 197 27.878 8.610 -7.274 1.00 11.43 H new ATOM 0 HD23 LEU A 197 26.638 9.183 -8.414 1.00 11.43 H new ATOM 1280 N CYS A 198 22.478 10.089 -6.564 1.00 52.10 N ATOM 1281 CA CYS A 198 21.562 10.627 -7.555 1.00 50.43 C ATOM 1282 C CYS A 198 20.724 11.722 -6.891 1.00 61.31 C ATOM 1283 O CYS A 198 20.421 12.760 -7.479 1.00 2.43 O ATOM 1284 CB CYS A 198 20.687 9.533 -8.171 1.00 2.15 C ATOM 1285 SG CYS A 198 21.516 8.821 -9.638 1.00 71.24 S ATOM 0 H CYS A 198 22.186 9.204 -6.149 1.00 52.10 H new ATOM 0 HA CYS A 198 22.128 11.055 -8.382 1.00 50.43 H new ATOM 0 HB2 CYS A 198 20.496 8.751 -7.436 1.00 2.15 H new ATOM 0 HB3 CYS A 198 19.719 9.947 -8.455 1.00 2.15 H new ATOM 0 HG CYS A 198 22.673 8.339 -9.292 1.00 71.24 H new ATOM 1290 N LYS A 199 20.353 11.464 -5.642 1.00 0.25 N ATOM 1291 CA LYS A 199 19.552 12.408 -4.871 1.00 21.12 C ATOM 1292 C LYS A 199 20.378 13.628 -4.477 1.00 4.12 C ATOM 1293 O LYS A 199 19.837 14.712 -4.254 1.00 72.21 O ATOM 1294 CB LYS A 199 18.994 11.730 -3.617 1.00 41.33 C ATOM 1295 CG LYS A 199 17.735 12.388 -3.079 1.00 44.43 C ATOM 1296 CD LYS A 199 17.607 12.202 -1.577 1.00 30.42 C ATOM 1297 CE LYS A 199 16.620 13.190 -0.975 1.00 34.54 C ATOM 1298 NZ LYS A 199 16.177 12.772 0.385 1.00 54.35 N ATOM 0 H LYS A 199 20.594 10.609 -5.141 1.00 0.25 H new ATOM 0 HA LYS A 199 18.723 12.739 -5.497 1.00 21.12 H new ATOM 0 HB2 LYS A 199 18.780 10.686 -3.844 1.00 41.33 H new ATOM 0 HB3 LYS A 199 19.758 11.737 -2.840 1.00 41.33 H new ATOM 0 HG2 LYS A 199 17.750 13.452 -3.315 1.00 44.43 H new ATOM 0 HG3 LYS A 199 16.862 11.964 -3.575 1.00 44.43 H new ATOM 0 HD2 LYS A 199 17.282 11.184 -1.362 1.00 30.42 H new ATOM 0 HD3 LYS A 199 18.583 12.330 -1.109 1.00 30.42 H new ATOM 0 HE2 LYS A 199 17.081 14.176 -0.920 1.00 34.54 H new ATOM 0 HE3 LYS A 199 15.752 13.280 -1.628 1.00 34.54 H new ATOM 0 HZ1 LYS A 199 15.505 13.471 0.761 1.00 54.35 H new ATOM 0 HZ2 LYS A 199 15.714 11.842 0.329 1.00 54.35 H new ATOM 0 HZ3 LYS A 199 17.002 12.711 1.015 1.00 54.35 H new ATOM 1312 N LEU A 200 21.692 13.446 -4.394 1.00 34.32 N ATOM 1313 CA LEU A 200 22.593 14.533 -4.028 1.00 64.42 C ATOM 1314 C LEU A 200 22.822 15.471 -5.209 1.00 21.12 C ATOM 1315 O LEU A 200 22.648 16.684 -5.094 1.00 11.20 O ATOM 1316 CB LEU A 200 23.930 13.971 -3.542 1.00 65.42 C ATOM 1317 CG LEU A 200 24.925 14.990 -2.986 1.00 51.42 C ATOM 1318 CD1 LEU A 200 25.590 14.456 -1.727 1.00 15.20 C ATOM 1319 CD2 LEU A 200 25.970 15.343 -4.035 1.00 20.43 C ATOM 0 H LEU A 200 22.157 12.556 -4.575 1.00 34.32 H new ATOM 0 HA LEU A 200 22.129 15.101 -3.221 1.00 64.42 H new ATOM 0 HB2 LEU A 200 23.730 13.230 -2.769 1.00 65.42 H new ATOM 0 HB3 LEU A 200 24.404 13.446 -4.372 1.00 65.42 H new ATOM 0 HG LEU A 200 24.379 15.897 -2.726 1.00 51.42 H new ATOM 0 HD11 LEU A 200 26.295 15.195 -1.346 1.00 15.20 H new ATOM 0 HD12 LEU A 200 24.830 14.256 -0.971 1.00 15.20 H new ATOM 0 HD13 LEU A 200 26.122 13.534 -1.960 1.00 15.20 H new ATOM 0 HD21 LEU A 200 26.670 16.069 -3.622 1.00 20.43 H new ATOM 0 HD22 LEU A 200 26.511 14.443 -4.327 1.00 20.43 H new ATOM 0 HD23 LEU A 200 25.478 15.770 -4.909 1.00 20.43 H new ATOM 1331 N VAL A 201 23.211 14.901 -6.345 1.00 24.53 N ATOM 1332 CA VAL A 201 23.461 15.685 -7.548 1.00 13.20 C ATOM 1333 C VAL A 201 22.274 16.585 -7.873 1.00 13.22 C ATOM 1334 O VAL A 201 22.445 17.722 -8.312 1.00 32.33 O ATOM 1335 CB VAL A 201 23.750 14.779 -8.759 1.00 62.21 C ATOM 1336 CG1 VAL A 201 23.971 15.614 -10.011 1.00 0.31 C ATOM 1337 CG2 VAL A 201 24.953 13.889 -8.483 1.00 10.31 C ATOM 0 H VAL A 201 23.360 13.898 -6.457 1.00 24.53 H new ATOM 0 HA VAL A 201 24.337 16.301 -7.348 1.00 13.20 H new ATOM 0 HB VAL A 201 22.884 14.139 -8.927 1.00 62.21 H new ATOM 0 HG11 VAL A 201 24.174 14.956 -10.856 1.00 0.31 H new ATOM 0 HG12 VAL A 201 23.078 16.204 -10.217 1.00 0.31 H new ATOM 0 HG13 VAL A 201 24.820 16.281 -9.859 1.00 0.31 H new ATOM 0 HG21 VAL A 201 25.143 13.255 -9.349 1.00 10.31 H new ATOM 0 HG22 VAL A 201 25.828 14.510 -8.288 1.00 10.31 H new ATOM 0 HG23 VAL A 201 24.751 13.264 -7.613 1.00 10.31 H new ATOM 1347 N GLY A 202 21.068 16.068 -7.653 1.00 44.34 N ATOM 1348 CA GLY A 202 19.870 16.839 -7.928 1.00 33.21 C ATOM 1349 C GLY A 202 18.887 16.089 -8.805 1.00 34.13 C ATOM 1350 O GLY A 202 17.724 16.477 -8.917 1.00 53.14 O ATOM 0 H GLY A 202 20.900 15.130 -7.290 1.00 44.34 H new ATOM 0 HA2 GLY A 202 19.386 17.101 -6.987 1.00 33.21 H new ATOM 0 HA3 GLY A 202 20.147 17.774 -8.415 1.00 33.21 H new ATOM 1354 N ARG A 203 19.354 15.013 -9.429 1.00 21.44 N ATOM 1355 CA ARG A 203 18.508 14.208 -10.302 1.00 43.44 C ATOM 1356 C ARG A 203 17.217 13.811 -9.593 1.00 71.25 C ATOM 1357 O ARG A 203 16.170 13.663 -10.225 1.00 12.33 O ATOM 1358 CB ARG A 203 19.257 12.956 -10.761 1.00 24.11 C ATOM 1359 CG ARG A 203 20.232 13.211 -11.899 1.00 54.43 C ATOM 1360 CD ARG A 203 21.103 11.995 -12.170 1.00 41.14 C ATOM 1361 NE ARG A 203 21.799 12.094 -13.451 1.00 13.43 N ATOM 1362 CZ ARG A 203 22.391 11.066 -14.047 1.00 24.12 C ATOM 1363 NH1 ARG A 203 22.373 9.867 -13.481 1.00 73.12 N ATOM 1364 NH2 ARG A 203 23.004 11.236 -15.211 1.00 62.44 N ATOM 0 H ARG A 203 20.314 14.678 -9.346 1.00 21.44 H new ATOM 0 HA ARG A 203 18.253 14.810 -11.174 1.00 43.44 H new ATOM 0 HB2 ARG A 203 19.802 12.538 -9.914 1.00 24.11 H new ATOM 0 HB3 ARG A 203 18.533 12.205 -11.076 1.00 24.11 H new ATOM 0 HG2 ARG A 203 19.679 13.472 -12.801 1.00 54.43 H new ATOM 0 HG3 ARG A 203 20.864 14.065 -11.654 1.00 54.43 H new ATOM 0 HD2 ARG A 203 21.833 11.886 -11.368 1.00 41.14 H new ATOM 0 HD3 ARG A 203 20.485 11.097 -12.162 1.00 41.14 H new ATOM 0 HE ARG A 203 21.832 13.003 -13.913 1.00 13.43 H new ATOM 0 HH11 ARG A 203 21.903 9.733 -12.585 1.00 73.12 H new ATOM 0 HH12 ARG A 203 22.829 9.079 -13.941 1.00 73.12 H new ATOM 0 HH21 ARG A 203 23.021 12.157 -15.649 1.00 62.44 H new ATOM 0 HH22 ARG A 203 23.459 10.446 -15.668 1.00 62.44 H new ATOM 1378 N HIS A 204 17.299 13.638 -8.278 1.00 11.20 N ATOM 1379 CA HIS A 204 16.137 13.258 -7.483 1.00 32.40 C ATOM 1380 C HIS A 204 16.118 14.007 -6.154 1.00 42.54 C ATOM 1381 O HIS A 204 15.921 13.410 -5.096 1.00 52.12 O ATOM 1382 CB HIS A 204 16.137 11.750 -7.231 1.00 33.52 C ATOM 1383 CG HIS A 204 16.078 10.933 -8.485 1.00 22.43 C ATOM 1384 ND1 HIS A 204 14.928 10.315 -8.927 1.00 73.42 N ATOM 1385 CD2 HIS A 204 17.037 10.635 -9.393 1.00 34.00 C ATOM 1386 CE1 HIS A 204 15.181 9.671 -10.053 1.00 24.35 C ATOM 1387 NE2 HIS A 204 16.454 9.850 -10.357 1.00 61.42 N ATOM 0 H HIS A 204 18.158 13.755 -7.740 1.00 11.20 H new ATOM 0 HA HIS A 204 15.241 13.526 -8.043 1.00 32.40 H new ATOM 0 HB2 HIS A 204 17.036 11.483 -6.675 1.00 33.52 H new ATOM 0 HB3 HIS A 204 15.285 11.495 -6.601 1.00 33.52 H new ATOM 0 HD2 HIS A 204 18.068 10.955 -9.364 1.00 34.00 H new ATOM 0 HE1 HIS A 204 14.469 9.097 -10.627 1.00 24.35 H new ATOM 0 HE2 HIS A 204 16.927 9.467 -11.175 1.00 61.42 H new ATOM 1394 N ARG A 205 16.326 15.319 -6.218 1.00 31.45 N ATOM 1395 CA ARG A 205 16.335 16.149 -5.019 1.00 51.35 C ATOM 1396 C ARG A 205 14.917 16.554 -4.628 1.00 12.30 C ATOM 1397 O ARG A 205 14.502 16.371 -3.483 1.00 52.25 O ATOM 1398 CB ARG A 205 17.189 17.398 -5.245 1.00 65.12 C ATOM 1399 CG ARG A 205 18.397 17.484 -4.326 1.00 13.12 C ATOM 1400 CD ARG A 205 18.898 18.914 -4.197 1.00 42.05 C ATOM 1401 NE ARG A 205 19.102 19.299 -2.804 1.00 3.43 N ATOM 1402 CZ ARG A 205 18.110 19.487 -1.940 1.00 44.23 C ATOM 1403 NH1 ARG A 205 16.852 19.325 -2.326 1.00 1.43 N ATOM 1404 NH2 ARG A 205 18.376 19.837 -0.688 1.00 43.03 N ATOM 0 H ARG A 205 16.490 15.829 -7.086 1.00 31.45 H new ATOM 0 HA ARG A 205 16.765 15.565 -4.206 1.00 51.35 H new ATOM 0 HB2 ARG A 205 17.529 17.413 -6.281 1.00 65.12 H new ATOM 0 HB3 ARG A 205 16.569 18.283 -5.100 1.00 65.12 H new ATOM 0 HG2 ARG A 205 18.134 17.099 -3.341 1.00 13.12 H new ATOM 0 HG3 ARG A 205 19.196 16.851 -4.713 1.00 13.12 H new ATOM 0 HD2 ARG A 205 19.835 19.020 -4.743 1.00 42.05 H new ATOM 0 HD3 ARG A 205 18.181 19.592 -4.659 1.00 42.05 H new ATOM 0 HE ARG A 205 20.059 19.431 -2.476 1.00 3.43 H new ATOM 0 HH11 ARG A 205 16.644 19.056 -3.288 1.00 1.43 H new ATOM 0 HH12 ARG A 205 16.092 19.470 -1.661 1.00 1.43 H new ATOM 0 HH21 ARG A 205 19.343 19.962 -0.388 1.00 43.03 H new ATOM 0 HH22 ARG A 205 17.614 19.981 -0.026 1.00 43.03 H new ATOM 1418 N ASP A 206 14.179 17.106 -5.585 1.00 62.33 N ATOM 1419 CA ASP A 206 12.807 17.536 -5.341 1.00 44.43 C ATOM 1420 C ASP A 206 11.854 16.345 -5.349 1.00 44.31 C ATOM 1421 O ASP A 206 10.659 16.491 -5.091 1.00 41.54 O ATOM 1422 CB ASP A 206 12.376 18.558 -6.395 1.00 31.31 C ATOM 1423 CG ASP A 206 11.286 19.484 -5.891 1.00 65.12 C ATOM 1424 OD1 ASP A 206 10.114 19.056 -5.853 1.00 73.34 O ATOM 1425 OD2 ASP A 206 11.607 20.637 -5.534 1.00 33.40 O ATOM 0 H ASP A 206 14.508 17.266 -6.537 1.00 62.33 H new ATOM 0 HA ASP A 206 12.768 18.002 -4.356 1.00 44.43 H new ATOM 0 HB2 ASP A 206 13.240 19.149 -6.698 1.00 31.31 H new ATOM 0 HB3 ASP A 206 12.022 18.033 -7.282 1.00 31.31 H new ATOM 1430 N HIS A 207 12.391 15.166 -5.648 1.00 0.34 N ATOM 1431 CA HIS A 207 11.588 13.949 -5.690 1.00 11.44 C ATOM 1432 C HIS A 207 11.313 13.431 -4.281 1.00 53.22 C ATOM 1433 O HIS A 207 12.004 13.795 -3.331 1.00 1.35 O ATOM 1434 CB HIS A 207 12.297 12.873 -6.512 1.00 43.20 C ATOM 1435 CG HIS A 207 11.992 12.940 -7.977 1.00 11.33 C ATOM 1436 ND1 HIS A 207 12.535 12.072 -8.899 1.00 63.54 N ATOM 1437 CD2 HIS A 207 11.192 13.779 -8.677 1.00 24.41 C ATOM 1438 CE1 HIS A 207 12.085 12.374 -10.104 1.00 32.41 C ATOM 1439 NE2 HIS A 207 11.268 13.406 -9.996 1.00 75.34 N ATOM 0 H HIS A 207 13.378 15.028 -5.865 1.00 0.34 H new ATOM 0 HA HIS A 207 10.635 14.188 -6.163 1.00 11.44 H new ATOM 0 HB2 HIS A 207 13.373 12.968 -6.369 1.00 43.20 H new ATOM 0 HB3 HIS A 207 12.011 11.891 -6.134 1.00 43.20 H new ATOM 0 HD1 HIS A 207 13.183 11.314 -8.685 1.00 63.54 H new ATOM 0 HD2 HIS A 207 10.604 14.590 -8.273 1.00 24.41 H new ATOM 0 HE1 HIS A 207 12.341 11.864 -11.021 1.00 32.41 H new ATOM 1446 N GLN A 208 10.299 12.581 -4.156 1.00 52.04 N ATOM 1447 CA GLN A 208 9.932 12.015 -2.864 1.00 21.33 C ATOM 1448 C GLN A 208 10.416 10.573 -2.744 1.00 11.31 C ATOM 1449 O GLN A 208 9.774 9.649 -3.242 1.00 34.43 O ATOM 1450 CB GLN A 208 8.416 12.074 -2.669 1.00 1.34 C ATOM 1451 CG GLN A 208 7.982 11.906 -1.222 1.00 32.14 C ATOM 1452 CD GLN A 208 6.534 11.477 -1.093 1.00 75.00 C ATOM 1453 OE1 GLN A 208 5.711 11.759 -1.964 1.00 53.55 O ATOM 1454 NE2 GLN A 208 6.214 10.790 -0.002 1.00 52.24 N ATOM 0 H GLN A 208 9.717 12.269 -4.934 1.00 52.04 H new ATOM 0 HA GLN A 208 10.414 12.607 -2.086 1.00 21.33 H new ATOM 0 HB2 GLN A 208 8.047 13.030 -3.042 1.00 1.34 H new ATOM 0 HB3 GLN A 208 7.950 11.295 -3.272 1.00 1.34 H new ATOM 0 HG2 GLN A 208 8.620 11.166 -0.739 1.00 32.14 H new ATOM 0 HG3 GLN A 208 8.127 12.847 -0.692 1.00 32.14 H new ATOM 0 HE21 GLN A 208 6.928 10.578 0.695 1.00 52.24 H new ATOM 0 HE22 GLN A 208 5.254 10.474 0.139 1.00 52.24 H new ATOM 1463 N VAL A 209 11.553 10.389 -2.080 1.00 51.14 N ATOM 1464 CA VAL A 209 12.123 9.060 -1.894 1.00 52.04 C ATOM 1465 C VAL A 209 12.059 8.634 -0.432 1.00 13.31 C ATOM 1466 O VAL A 209 11.793 9.449 0.451 1.00 14.01 O ATOM 1467 CB VAL A 209 13.587 9.006 -2.370 1.00 32.51 C ATOM 1468 CG1 VAL A 209 13.678 9.320 -3.855 1.00 41.12 C ATOM 1469 CG2 VAL A 209 14.446 9.965 -1.560 1.00 33.44 C ATOM 0 H VAL A 209 12.097 11.144 -1.662 1.00 51.14 H new ATOM 0 HA VAL A 209 11.528 8.373 -2.495 1.00 52.04 H new ATOM 0 HB VAL A 209 13.965 7.996 -2.213 1.00 32.51 H new ATOM 0 HG11 VAL A 209 14.720 9.277 -4.173 1.00 41.12 H new ATOM 0 HG12 VAL A 209 13.097 8.590 -4.418 1.00 41.12 H new ATOM 0 HG13 VAL A 209 13.283 10.319 -4.041 1.00 41.12 H new ATOM 0 HG21 VAL A 209 15.477 9.914 -1.910 1.00 33.44 H new ATOM 0 HG22 VAL A 209 14.071 10.981 -1.683 1.00 33.44 H new ATOM 0 HG23 VAL A 209 14.406 9.688 -0.507 1.00 33.44 H new ATOM 1479 N ALA A 210 12.305 7.352 -0.183 1.00 50.22 N ATOM 1480 CA ALA A 210 12.278 6.818 1.173 1.00 51.22 C ATOM 1481 C ALA A 210 13.639 6.255 1.568 1.00 35.22 C ATOM 1482 O ALA A 210 14.149 5.335 0.930 1.00 44.34 O ATOM 1483 CB ALA A 210 11.205 5.747 1.297 1.00 75.13 C ATOM 0 H ALA A 210 12.525 6.664 -0.903 1.00 50.22 H new ATOM 0 HA ALA A 210 12.040 7.635 1.854 1.00 51.22 H new ATOM 0 HB1 ALA A 210 11.196 5.357 2.315 1.00 75.13 H new ATOM 0 HB2 ALA A 210 10.231 6.179 1.065 1.00 75.13 H new ATOM 0 HB3 ALA A 210 11.418 4.937 0.600 1.00 75.13 H new ATOM 1489 N ALA A 211 14.221 6.813 2.625 1.00 74.24 N ATOM 1490 CA ALA A 211 15.522 6.365 3.106 1.00 74.35 C ATOM 1491 C ALA A 211 15.459 4.921 3.593 1.00 43.21 C ATOM 1492 O ALA A 211 14.638 4.577 4.444 1.00 11.30 O ATOM 1493 CB ALA A 211 16.017 7.278 4.217 1.00 13.20 C ATOM 0 H ALA A 211 13.812 7.576 3.164 1.00 74.24 H new ATOM 0 HA ALA A 211 16.225 6.410 2.274 1.00 74.35 H new ATOM 0 HB1 ALA A 211 16.990 6.931 4.567 1.00 13.20 H new ATOM 0 HB2 ALA A 211 16.109 8.296 3.838 1.00 13.20 H new ATOM 0 HB3 ALA A 211 15.307 7.262 5.044 1.00 13.20 H new