USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 744 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 78 ASN : amide:sc= -0.425 X(o=0.79,f=0.89) USER MOD Set 1.2: A 82 THR OG1 : rot -68:sc= 1.21 USER MOD Set 2.1: A 28 GLN : amide:sc= 0.692 K(o=1.5,f=-0.63) USER MOD Set 2.2: A 30 TYR OH : rot 68:sc= 0.783 USER MOD Single : A 25 TYR OH : rot 174:sc= -0.764 USER MOD Single : A 26 CYS SG : rot -82:sc= 0.24 USER MOD Single : A 33 THR OG1 : rot 96:sc= 1.72 USER MOD Single : A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -146:sc= 1.18 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 1.01 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 39:sc= 0.0339 USER MOD Single : A 54 THR OG1 : rot 53:sc= 0.00532 USER MOD Single : A 57 SER OG : rot -72:sc= 0.833 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 100:sc= 1.58 USER MOD Single : A 90 HIS : no HE2:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= 1.19 (180deg=0.961) USER MOD Single : A 100 SER OG : rot 71:sc= 0.951 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 131:sc= 0.14 USER MOD Single : A 107 SER OG : rot -66:sc= 1.25 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.395 K(o=0.4,f=-0.43) USER MOD Single : A 114 THR OG1 : rot -30:sc= -1.24 USER MOD Single : A 115 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00883) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 6.796 6.250 5.415 1.00 0.00 N ATOM 76 CA TYR A 25 6.683 4.781 5.332 1.00 0.00 C ATOM 77 C TYR A 25 5.381 4.270 5.928 1.00 0.00 C ATOM 78 O TYR A 25 5.358 3.700 7.022 1.00 0.00 O ATOM 79 CB TYR A 25 7.892 4.025 5.932 1.00 0.00 C ATOM 80 CG TYR A 25 9.194 4.137 5.165 1.00 0.00 C ATOM 81 CD1 TYR A 25 10.094 5.162 5.414 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.533 3.187 4.215 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.297 5.234 4.733 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.725 3.256 3.525 1.00 0.00 C ATOM 85 CZ TYR A 25 11.602 4.278 3.786 1.00 0.00 C ATOM 86 OH TYR A 25 12.807 4.328 3.132 1.00 0.00 O ATOM 0 HA TYR A 25 6.681 4.563 4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.058 4.391 6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.631 2.970 6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.853 5.915 6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.850 2.376 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.993 6.033 4.942 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.967 2.509 2.783 1.00 0.00 H new ATOM 0 HH TYR A 25 12.908 3.531 2.571 1.00 0.00 H new ATOM 96 N CYS A 26 4.304 4.528 5.229 1.00 0.00 N ATOM 97 CA CYS A 26 3.002 4.057 5.624 1.00 0.00 C ATOM 98 C CYS A 26 2.253 3.735 4.356 1.00 0.00 C ATOM 99 O CYS A 26 2.713 4.078 3.264 1.00 0.00 O ATOM 100 CB CYS A 26 2.182 5.147 6.336 1.00 0.00 C ATOM 101 SG CYS A 26 3.058 6.240 7.478 1.00 0.00 S ATOM 0 H CYS A 26 4.307 5.073 4.367 1.00 0.00 H new ATOM 0 HA CYS A 26 3.131 3.209 6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.711 5.766 5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.380 4.657 6.888 1.00 0.00 H new ATOM 0 HG CYS A 26 3.186 5.651 8.630 1.00 0.00 H new ATOM 106 N LEU A 27 1.158 3.071 4.492 1.00 0.00 N ATOM 107 CA LEU A 27 0.229 2.879 3.418 1.00 0.00 C ATOM 108 C LEU A 27 -0.991 3.658 3.784 1.00 0.00 C ATOM 109 O LEU A 27 -1.512 3.489 4.892 1.00 0.00 O ATOM 110 CB LEU A 27 -0.117 1.404 3.264 1.00 0.00 C ATOM 111 CG LEU A 27 -1.138 1.022 2.203 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.697 1.464 0.827 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.330 -0.452 2.219 1.00 0.00 C ATOM 0 H LEU A 27 0.872 2.635 5.368 1.00 0.00 H new ATOM 0 HA LEU A 27 0.650 3.211 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.806 0.864 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.482 1.044 4.226 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.077 1.526 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.450 1.175 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.575 2.547 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.252 0.989 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.061 -0.732 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.381 -0.945 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.689 -0.762 3.201 1.00 0.00 H new ATOM 125 N GLN A 28 -1.414 4.542 2.931 1.00 0.00 N ATOM 126 CA GLN A 28 -2.565 5.332 3.241 1.00 0.00 C ATOM 127 C GLN A 28 -3.675 4.985 2.307 1.00 0.00 C ATOM 128 O GLN A 28 -3.515 5.026 1.072 1.00 0.00 O ATOM 129 CB GLN A 28 -2.226 6.801 3.113 1.00 0.00 C ATOM 130 CG GLN A 28 -1.151 7.261 4.073 1.00 0.00 C ATOM 131 CD GLN A 28 -0.643 8.646 3.737 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.370 9.470 3.185 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.591 8.925 4.077 1.00 0.00 N ATOM 0 H GLN A 28 -0.985 4.732 2.025 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.879 5.127 4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.900 7.002 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.128 7.389 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.547 7.257 5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.320 6.556 4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.167 8.217 4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.976 9.850 3.885 1.00 0.00 H new ATOM 142 N LEU A 29 -4.774 4.618 2.873 1.00 0.00 N ATOM 143 CA LEU A 29 -5.933 4.320 2.113 1.00 0.00 C ATOM 144 C LEU A 29 -6.952 5.390 2.339 1.00 0.00 C ATOM 145 O LEU A 29 -7.243 5.728 3.484 1.00 0.00 O ATOM 146 CB LEU A 29 -6.468 2.935 2.422 1.00 0.00 C ATOM 147 CG LEU A 29 -5.440 1.804 2.268 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.857 1.367 3.602 1.00 0.00 C ATOM 149 CD2 LEU A 29 -6.016 0.647 1.534 1.00 0.00 C ATOM 0 H LEU A 29 -4.891 4.517 3.881 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.675 4.305 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.848 2.926 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.314 2.732 1.765 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.618 2.207 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.136 0.566 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.359 2.213 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.658 1.009 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.264 -0.136 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.876 0.261 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.331 0.967 0.541 1.00 0.00 H new ATOM 161 N TYR A 30 -7.467 5.922 1.278 1.00 0.00 N ATOM 162 CA TYR A 30 -8.373 7.040 1.335 1.00 0.00 C ATOM 163 C TYR A 30 -9.782 6.586 1.207 1.00 0.00 C ATOM 164 O TYR A 30 -10.055 5.593 0.533 1.00 0.00 O ATOM 165 CB TYR A 30 -8.052 8.012 0.217 1.00 0.00 C ATOM 166 CG TYR A 30 -6.652 8.539 0.311 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.343 9.598 1.142 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.625 7.932 -0.392 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.039 10.038 1.274 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.333 8.366 -0.279 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.036 9.412 0.559 1.00 0.00 C ATOM 172 OH TYR A 30 -2.726 9.830 0.685 1.00 0.00 O ATOM 0 H TYR A 30 -7.272 5.593 0.332 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.253 7.533 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.188 7.516 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.755 8.845 0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.130 10.089 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.849 7.099 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.806 10.864 1.930 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.549 7.887 -0.847 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.403 9.625 1.587 1.00 0.00 H new ATOM 182 N ASP A 31 -10.676 7.303 1.836 1.00 0.00 N ATOM 183 CA ASP A 31 -12.086 6.962 1.782 1.00 0.00 C ATOM 184 C ASP A 31 -12.665 7.228 0.403 1.00 0.00 C ATOM 185 O ASP A 31 -13.460 6.432 -0.119 1.00 0.00 O ATOM 186 CB ASP A 31 -12.900 7.697 2.857 1.00 0.00 C ATOM 187 CG ASP A 31 -14.391 7.397 2.772 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.872 6.451 3.434 1.00 0.00 O ATOM 189 OD2 ASP A 31 -15.117 8.095 2.048 1.00 0.00 O ATOM 0 H ASP A 31 -10.459 8.129 2.394 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.158 5.894 1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.532 7.413 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.743 8.771 2.755 1.00 0.00 H new ATOM 194 N GLU A 32 -12.231 8.295 -0.205 1.00 0.00 N ATOM 195 CA GLU A 32 -12.734 8.688 -1.496 1.00 0.00 C ATOM 196 C GLU A 32 -11.690 8.443 -2.535 1.00 0.00 C ATOM 197 O GLU A 32 -10.584 7.997 -2.217 1.00 0.00 O ATOM 198 CB GLU A 32 -13.113 10.157 -1.501 1.00 0.00 C ATOM 199 CG GLU A 32 -14.285 10.512 -0.633 1.00 0.00 C ATOM 200 CD GLU A 32 -14.618 11.962 -0.739 1.00 0.00 C ATOM 201 OE1 GLU A 32 -14.381 12.712 0.217 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.129 12.389 -1.794 1.00 0.00 O ATOM 0 H GLU A 32 -11.520 8.918 0.177 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.623 8.097 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.251 10.740 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.335 10.456 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.150 9.916 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.061 10.263 0.404 1.00 0.00 H new ATOM 209 N THR A 33 -12.026 8.710 -3.762 1.00 0.00 N ATOM 210 CA THR A 33 -11.127 8.556 -4.833 1.00 0.00 C ATOM 211 C THR A 33 -10.257 9.814 -4.956 1.00 0.00 C ATOM 212 O THR A 33 -10.454 10.788 -4.192 1.00 0.00 O ATOM 213 CB THR A 33 -11.935 8.307 -6.110 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.106 9.142 -6.088 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.365 6.864 -6.208 1.00 0.00 C ATOM 0 H THR A 33 -12.950 9.045 -4.036 1.00 0.00 H new ATOM 0 HA THR A 33 -10.464 7.708 -4.664 1.00 0.00 H new ATOM 0 HB THR A 33 -11.308 8.541 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.932 9.963 -6.594 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.937 6.716 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.484 6.222 -6.222 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.985 6.610 -5.348 1.00 0.00 H new ATOM 223 N TYR A 34 -9.287 9.776 -5.878 1.00 0.00 N ATOM 224 CA TYR A 34 -8.380 10.898 -6.185 1.00 0.00 C ATOM 225 C TYR A 34 -7.762 11.570 -4.954 1.00 0.00 C ATOM 226 O TYR A 34 -7.681 12.805 -4.868 1.00 0.00 O ATOM 227 CB TYR A 34 -8.967 11.905 -7.231 1.00 0.00 C ATOM 228 CG TYR A 34 -10.390 12.384 -6.985 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.466 11.610 -7.386 1.00 0.00 C ATOM 230 CD2 TYR A 34 -10.658 13.592 -6.368 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.761 12.015 -7.183 1.00 0.00 C ATOM 232 CE2 TYR A 34 -11.958 14.006 -6.162 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.003 13.217 -6.573 1.00 0.00 C ATOM 234 OH TYR A 34 -14.304 13.643 -6.369 1.00 0.00 O ATOM 0 H TYR A 34 -9.104 8.948 -6.446 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.529 10.433 -6.683 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.315 12.777 -7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.930 11.436 -8.214 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.281 10.663 -7.871 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.840 14.219 -6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.583 11.391 -7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.153 14.951 -5.677 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.889 12.865 -6.254 1.00 0.00 H new ATOM 244 N GLU A 35 -7.346 10.722 -4.000 1.00 0.00 N ATOM 245 CA GLU A 35 -6.635 11.130 -2.781 1.00 0.00 C ATOM 246 C GLU A 35 -7.508 11.965 -1.831 1.00 0.00 C ATOM 247 O GLU A 35 -6.983 12.694 -0.983 1.00 0.00 O ATOM 248 CB GLU A 35 -5.327 11.884 -3.123 1.00 0.00 C ATOM 249 CG GLU A 35 -4.282 11.060 -3.882 1.00 0.00 C ATOM 250 CD GLU A 35 -3.034 11.864 -4.195 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.799 12.213 -5.378 1.00 0.00 O ATOM 252 OE2 GLU A 35 -2.286 12.204 -3.269 1.00 0.00 O ATOM 0 H GLU A 35 -7.498 9.715 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.382 10.211 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.577 12.762 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.880 12.244 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.010 10.187 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.717 10.692 -4.811 1.00 0.00 H new ATOM 259 N ARG A 36 -8.824 11.841 -1.927 1.00 0.00 N ATOM 260 CA ARG A 36 -9.681 12.587 -1.030 1.00 0.00 C ATOM 261 C ARG A 36 -10.221 11.730 0.079 1.00 0.00 C ATOM 262 O ARG A 36 -10.075 10.500 0.080 1.00 0.00 O ATOM 263 CB ARG A 36 -10.852 13.253 -1.720 1.00 0.00 C ATOM 264 CG ARG A 36 -10.502 14.225 -2.789 1.00 0.00 C ATOM 265 CD ARG A 36 -11.616 15.242 -2.943 1.00 0.00 C ATOM 266 NE ARG A 36 -12.969 14.637 -2.916 1.00 0.00 N ATOM 267 CZ ARG A 36 -14.074 15.228 -3.376 1.00 0.00 C ATOM 268 NH1 ARG A 36 -13.981 16.299 -4.153 1.00 0.00 N ATOM 269 NH2 ARG A 36 -15.264 14.709 -3.096 1.00 0.00 N ATOM 0 H ARG A 36 -9.308 11.246 -2.600 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.031 13.363 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.484 12.478 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.449 13.768 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.568 14.730 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.342 13.701 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.539 15.979 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.483 15.777 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.062 13.703 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.064 16.672 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.826 16.750 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.331 13.862 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.111 15.157 -3.445 1.00 0.00 H new ATOM 283 N GLY A 37 -10.889 12.381 0.992 1.00 0.00 N ATOM 284 CA GLY A 37 -11.438 11.719 2.121 1.00 0.00 C ATOM 285 C GLY A 37 -10.413 11.585 3.199 1.00 0.00 C ATOM 286 O GLY A 37 -9.263 12.045 3.044 1.00 0.00 O ATOM 0 H GLY A 37 -11.063 13.386 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.297 12.277 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.800 10.733 1.831 1.00 0.00 H new ATOM 290 N SER A 38 -10.797 11.000 4.283 1.00 0.00 N ATOM 291 CA SER A 38 -9.870 10.720 5.322 1.00 0.00 C ATOM 292 C SER A 38 -9.083 9.488 4.918 1.00 0.00 C ATOM 293 O SER A 38 -9.456 8.787 3.962 1.00 0.00 O ATOM 294 CB SER A 38 -10.588 10.487 6.640 1.00 0.00 C ATOM 295 OG SER A 38 -11.440 11.588 6.971 1.00 0.00 O ATOM 0 H SER A 38 -11.755 10.705 4.472 1.00 0.00 H new ATOM 0 HA SER A 38 -9.201 11.568 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.179 9.573 6.578 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.856 10.340 7.434 1.00 0.00 H new ATOM 0 HG SER A 38 -11.890 11.409 7.823 1.00 0.00 H new ATOM 301 N TYR A 39 -8.034 9.216 5.611 1.00 0.00 N ATOM 302 CA TYR A 39 -7.192 8.121 5.271 1.00 0.00 C ATOM 303 C TYR A 39 -6.744 7.447 6.522 1.00 0.00 C ATOM 304 O TYR A 39 -6.845 8.022 7.608 1.00 0.00 O ATOM 305 CB TYR A 39 -5.980 8.612 4.460 1.00 0.00 C ATOM 306 CG TYR A 39 -5.060 9.551 5.209 1.00 0.00 C ATOM 307 CD1 TYR A 39 -5.453 10.841 5.530 1.00 0.00 C ATOM 308 CD2 TYR A 39 -3.801 9.141 5.588 1.00 0.00 C ATOM 309 CE1 TYR A 39 -4.624 11.690 6.208 1.00 0.00 C ATOM 310 CE2 TYR A 39 -2.953 9.980 6.266 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.367 11.258 6.578 1.00 0.00 C ATOM 312 OH TYR A 39 -2.520 12.113 7.259 1.00 0.00 O ATOM 0 H TYR A 39 -7.734 9.745 6.430 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.745 7.411 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.405 7.747 4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.340 9.116 3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.435 11.182 5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.475 8.140 5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.950 12.690 6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.968 9.642 6.553 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.674 11.655 7.446 1.00 0.00 H new ATOM 322 N ILE A 40 -6.261 6.274 6.379 1.00 0.00 N ATOM 323 CA ILE A 40 -5.772 5.504 7.481 1.00 0.00 C ATOM 324 C ILE A 40 -4.277 5.327 7.278 1.00 0.00 C ATOM 325 O ILE A 40 -3.801 5.391 6.132 1.00 0.00 O ATOM 326 CB ILE A 40 -6.472 4.108 7.519 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.101 3.318 8.791 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.123 3.312 6.265 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.793 1.974 8.919 1.00 0.00 C ATOM 0 H ILE A 40 -6.188 5.801 5.478 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.980 6.010 8.424 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.549 4.273 7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.023 3.160 8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.345 3.923 9.664 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.616 2.341 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.460 3.857 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.044 3.169 6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.475 1.487 9.841 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.873 2.121 8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.529 1.346 8.068 1.00 0.00 H new ATOM 341 N GLU A 41 -3.544 5.156 8.341 1.00 0.00 N ATOM 342 CA GLU A 41 -2.146 4.900 8.228 1.00 0.00 C ATOM 343 C GLU A 41 -1.894 3.460 8.566 1.00 0.00 C ATOM 344 O GLU A 41 -2.298 2.975 9.620 1.00 0.00 O ATOM 345 CB GLU A 41 -1.352 5.778 9.187 1.00 0.00 C ATOM 346 CG GLU A 41 -1.364 7.257 8.870 1.00 0.00 C ATOM 347 CD GLU A 41 -0.655 8.053 9.935 1.00 0.00 C ATOM 348 OE1 GLU A 41 0.522 7.777 10.219 1.00 0.00 O ATOM 349 OE2 GLU A 41 -1.276 8.974 10.516 1.00 0.00 O ATOM 0 H GLU A 41 -3.898 5.190 9.297 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.828 5.122 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.745 5.636 10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.318 5.434 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.885 7.428 7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.394 7.603 8.780 1.00 0.00 H new ATOM 356 N VAL A 42 -1.260 2.780 7.684 1.00 0.00 N ATOM 357 CA VAL A 42 -0.876 1.419 7.901 1.00 0.00 C ATOM 358 C VAL A 42 0.621 1.354 7.852 1.00 0.00 C ATOM 359 O VAL A 42 1.233 1.942 6.971 1.00 0.00 O ATOM 360 CB VAL A 42 -1.500 0.492 6.830 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.007 -0.930 6.967 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.014 0.532 6.904 1.00 0.00 C ATOM 0 H VAL A 42 -0.985 3.151 6.774 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.238 1.077 8.871 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.184 0.862 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.467 -1.550 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.077 -0.952 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.274 -1.315 7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.433 -0.126 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.339 0.200 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.360 1.551 6.732 1.00 0.00 H new ATOM 372 N TYR A 43 1.202 0.686 8.799 1.00 0.00 N ATOM 373 CA TYR A 43 2.634 0.609 8.893 1.00 0.00 C ATOM 374 C TYR A 43 3.095 -0.815 8.674 1.00 0.00 C ATOM 375 O TYR A 43 4.171 -1.048 8.134 1.00 0.00 O ATOM 376 CB TYR A 43 3.091 1.071 10.270 1.00 0.00 C ATOM 377 CG TYR A 43 2.466 2.370 10.725 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.439 2.357 11.653 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.894 3.595 10.233 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.857 3.523 12.088 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.312 4.773 10.660 1.00 0.00 C ATOM 382 CZ TYR A 43 1.291 4.729 11.590 1.00 0.00 C ATOM 383 OH TYR A 43 0.711 5.900 12.042 1.00 0.00 O ATOM 0 H TYR A 43 0.702 0.178 9.529 1.00 0.00 H new ATOM 0 HA TYR A 43 3.066 1.254 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.858 0.294 10.998 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.175 1.185 10.262 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.089 1.413 12.042 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.693 3.628 9.507 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.062 3.493 12.818 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.652 5.721 10.270 1.00 0.00 H new ATOM 0 HH TYR A 43 0.675 6.551 11.310 1.00 0.00 H new ATOM 393 N LYS A 44 2.278 -1.762 9.076 1.00 0.00 N ATOM 394 CA LYS A 44 2.636 -3.163 8.973 1.00 0.00 C ATOM 395 C LYS A 44 1.544 -3.996 8.310 1.00 0.00 C ATOM 396 O LYS A 44 0.382 -3.583 8.256 1.00 0.00 O ATOM 397 CB LYS A 44 3.133 -3.740 10.332 1.00 0.00 C ATOM 398 CG LYS A 44 2.337 -3.355 11.562 1.00 0.00 C ATOM 399 CD LYS A 44 0.941 -3.885 11.563 1.00 0.00 C ATOM 400 CE LYS A 44 0.234 -3.401 12.790 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.170 -3.838 12.839 1.00 0.00 N ATOM 0 H LYS A 44 1.357 -1.589 9.479 1.00 0.00 H new ATOM 0 HA LYS A 44 3.490 -3.229 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.142 -4.827 10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.165 -3.422 10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.856 -3.720 12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.304 -2.268 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.412 -3.554 10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.953 -4.975 11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.756 -3.766 13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.274 -2.312 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.616 -3.478 13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.678 -3.469 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.210 -4.877 12.835 1.00 0.00 H new ATOM 415 N SER A 45 1.928 -5.148 7.829 1.00 0.00 N ATOM 416 CA SER A 45 1.070 -6.020 7.053 1.00 0.00 C ATOM 417 C SER A 45 -0.047 -6.640 7.903 1.00 0.00 C ATOM 418 O SER A 45 0.179 -7.057 9.059 1.00 0.00 O ATOM 419 CB SER A 45 1.931 -7.132 6.467 1.00 0.00 C ATOM 420 OG SER A 45 3.116 -6.603 5.875 1.00 0.00 O ATOM 0 H SER A 45 2.868 -5.520 7.966 1.00 0.00 H new ATOM 0 HA SER A 45 0.593 -5.430 6.271 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.197 -7.842 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.361 -7.682 5.719 1.00 0.00 H new ATOM 0 HG SER A 45 3.653 -7.336 5.507 1.00 0.00 H new ATOM 426 N VAL A 46 -1.223 -6.711 7.325 1.00 0.00 N ATOM 427 CA VAL A 46 -2.367 -7.332 7.947 1.00 0.00 C ATOM 428 C VAL A 46 -2.740 -8.583 7.144 1.00 0.00 C ATOM 429 O VAL A 46 -2.853 -8.533 5.913 1.00 0.00 O ATOM 430 CB VAL A 46 -3.599 -6.369 8.045 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.105 -5.940 6.685 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.709 -6.998 8.867 1.00 0.00 C ATOM 0 H VAL A 46 -1.414 -6.334 6.397 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.096 -7.594 8.970 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.261 -5.466 8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.959 -5.274 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.312 -5.418 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.409 -6.819 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.554 -6.312 8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.027 -7.929 8.397 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.344 -7.205 9.873 1.00 0.00 H new ATOM 442 N GLY A 47 -2.929 -9.683 7.814 1.00 0.00 N ATOM 443 CA GLY A 47 -3.216 -10.898 7.111 1.00 0.00 C ATOM 444 C GLY A 47 -4.688 -11.162 6.964 1.00 0.00 C ATOM 445 O GLY A 47 -5.098 -11.989 6.133 1.00 0.00 O ATOM 0 H GLY A 47 -2.890 -9.764 8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.761 -10.854 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.754 -11.733 7.638 1.00 0.00 H new ATOM 449 N SER A 48 -5.493 -10.467 7.729 1.00 0.00 N ATOM 450 CA SER A 48 -6.910 -10.674 7.684 1.00 0.00 C ATOM 451 C SER A 48 -7.690 -9.449 8.128 1.00 0.00 C ATOM 452 O SER A 48 -7.460 -8.898 9.213 1.00 0.00 O ATOM 453 CB SER A 48 -7.292 -11.924 8.493 1.00 0.00 C ATOM 454 OG SER A 48 -6.698 -11.906 9.790 1.00 0.00 O ATOM 0 H SER A 48 -5.186 -9.753 8.390 1.00 0.00 H new ATOM 0 HA SER A 48 -7.188 -10.843 6.644 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.376 -11.980 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.972 -12.818 7.957 1.00 0.00 H new ATOM 0 HG SER A 48 -6.960 -12.712 10.281 1.00 0.00 H new ATOM 460 N LEU A 49 -8.558 -9.007 7.265 1.00 0.00 N ATOM 461 CA LEU A 49 -9.445 -7.922 7.536 1.00 0.00 C ATOM 462 C LEU A 49 -10.865 -8.425 7.440 1.00 0.00 C ATOM 463 O LEU A 49 -11.282 -8.941 6.400 1.00 0.00 O ATOM 464 CB LEU A 49 -9.206 -6.818 6.501 1.00 0.00 C ATOM 465 CG LEU A 49 -7.836 -6.143 6.569 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.599 -5.287 5.353 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.736 -5.297 7.815 1.00 0.00 C ATOM 0 H LEU A 49 -8.668 -9.403 6.332 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.270 -7.521 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.334 -7.243 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.975 -6.055 6.624 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.074 -6.922 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.618 -4.817 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.640 -5.907 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.367 -4.516 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.756 -4.821 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.511 -4.531 7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.868 -5.927 8.694 1.00 0.00 H new ATOM 479 N SER A 50 -11.571 -8.351 8.530 1.00 0.00 N ATOM 480 CA SER A 50 -12.958 -8.688 8.574 1.00 0.00 C ATOM 481 C SER A 50 -13.732 -7.591 9.318 1.00 0.00 C ATOM 482 O SER A 50 -13.527 -7.401 10.518 1.00 0.00 O ATOM 483 CB SER A 50 -13.160 -10.086 9.184 1.00 0.00 C ATOM 484 OG SER A 50 -12.435 -10.242 10.410 1.00 0.00 O ATOM 0 H SER A 50 -11.190 -8.049 9.427 1.00 0.00 H new ATOM 0 HA SER A 50 -13.358 -8.738 7.561 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.222 -10.253 9.366 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.836 -10.844 8.471 1.00 0.00 H new ATOM 0 HG SER A 50 -12.475 -9.407 10.922 1.00 0.00 H new ATOM 490 N PRO A 51 -14.558 -6.803 8.629 1.00 0.00 N ATOM 491 CA PRO A 51 -14.744 -6.890 7.182 1.00 0.00 C ATOM 492 C PRO A 51 -13.563 -6.257 6.430 1.00 0.00 C ATOM 493 O PRO A 51 -12.757 -5.514 7.035 1.00 0.00 O ATOM 494 CB PRO A 51 -16.014 -6.073 6.947 1.00 0.00 C ATOM 495 CG PRO A 51 -16.026 -5.072 8.041 1.00 0.00 C ATOM 496 CD PRO A 51 -15.391 -5.744 9.225 1.00 0.00 C ATOM 0 HA PRO A 51 -14.810 -7.919 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.999 -5.591 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.902 -6.704 6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.472 -4.177 7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.044 -4.757 8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.791 -5.044 9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.141 -6.158 9.899 1.00 0.00 H new ATOM 504 N PRO A 52 -13.404 -6.575 5.137 1.00 0.00 N ATOM 505 CA PRO A 52 -12.352 -5.999 4.305 1.00 0.00 C ATOM 506 C PRO A 52 -12.515 -4.487 4.198 1.00 0.00 C ATOM 507 O PRO A 52 -13.621 -3.953 4.394 1.00 0.00 O ATOM 508 CB PRO A 52 -12.568 -6.659 2.929 1.00 0.00 C ATOM 509 CG PRO A 52 -13.963 -7.160 2.956 1.00 0.00 C ATOM 510 CD PRO A 52 -14.239 -7.523 4.379 1.00 0.00 C ATOM 0 HA PRO A 52 -11.355 -6.173 4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.422 -5.942 2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.860 -7.472 2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.659 -6.398 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.081 -8.024 2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.295 -7.414 4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.967 -8.557 4.591 1.00 0.00 H new ATOM 518 N TRP A 53 -11.459 -3.808 3.873 1.00 0.00 N ATOM 519 CA TRP A 53 -11.509 -2.374 3.780 1.00 0.00 C ATOM 520 C TRP A 53 -11.896 -1.991 2.402 1.00 0.00 C ATOM 521 O TRP A 53 -11.428 -2.593 1.448 1.00 0.00 O ATOM 522 CB TRP A 53 -10.155 -1.740 4.095 1.00 0.00 C ATOM 523 CG TRP A 53 -9.719 -1.857 5.523 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.508 -2.078 6.616 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.382 -1.723 6.015 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.740 -2.095 7.751 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.431 -1.878 7.409 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.146 -1.496 5.410 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.290 -1.805 8.207 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -6.020 -1.430 6.206 1.00 0.00 C ATOM 531 CH2 TRP A 53 -6.101 -1.584 7.587 1.00 0.00 C ATOM 0 H TRP A 53 -10.549 -4.220 3.667 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.237 -2.016 4.508 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.398 -2.201 3.461 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.194 -0.684 3.828 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.578 -2.219 6.590 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.087 -2.245 8.698 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -7.071 -1.374 4.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.349 -1.920 9.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.057 -1.255 5.748 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.199 -1.527 8.179 1.00 0.00 H new ATOM 542 N THR A 54 -12.747 -1.016 2.289 1.00 0.00 N ATOM 543 CA THR A 54 -13.184 -0.551 1.009 1.00 0.00 C ATOM 544 C THR A 54 -12.769 0.915 0.757 1.00 0.00 C ATOM 545 O THR A 54 -13.573 1.832 0.946 1.00 0.00 O ATOM 546 CB THR A 54 -14.710 -0.732 0.864 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.371 -0.295 2.074 1.00 0.00 O ATOM 548 CG2 THR A 54 -15.052 -2.190 0.599 1.00 0.00 C ATOM 0 H THR A 54 -13.157 -0.521 3.081 1.00 0.00 H new ATOM 0 HA THR A 54 -12.690 -1.155 0.248 1.00 0.00 H new ATOM 0 HB THR A 54 -15.052 -0.131 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.081 0.615 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.132 -2.298 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.568 -2.516 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.701 -2.803 1.429 1.00 0.00 H new ATOM 556 N PRO A 55 -11.484 1.166 0.423 1.00 0.00 N ATOM 557 CA PRO A 55 -10.999 2.503 0.130 1.00 0.00 C ATOM 558 C PRO A 55 -11.413 2.994 -1.258 1.00 0.00 C ATOM 559 O PRO A 55 -11.771 2.202 -2.146 1.00 0.00 O ATOM 560 CB PRO A 55 -9.486 2.346 0.198 1.00 0.00 C ATOM 561 CG PRO A 55 -9.253 0.956 -0.235 1.00 0.00 C ATOM 562 CD PRO A 55 -10.387 0.174 0.345 1.00 0.00 C ATOM 0 HA PRO A 55 -11.407 3.239 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.981 3.058 -0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.112 2.518 1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.236 0.879 -1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.293 0.586 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.655 -0.673 -0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.137 -0.227 1.327 1.00 0.00 H new ATOM 570 N GLY A 56 -11.404 4.286 -1.426 1.00 0.00 N ATOM 571 CA GLY A 56 -11.686 4.880 -2.702 1.00 0.00 C ATOM 572 C GLY A 56 -10.421 4.968 -3.525 1.00 0.00 C ATOM 573 O GLY A 56 -10.422 4.729 -4.737 1.00 0.00 O ATOM 0 H GLY A 56 -11.201 4.956 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.433 4.287 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.109 5.875 -2.563 1.00 0.00 H new ATOM 577 N SER A 57 -9.327 5.249 -2.852 1.00 0.00 N ATOM 578 CA SER A 57 -8.054 5.398 -3.487 1.00 0.00 C ATOM 579 C SER A 57 -6.967 5.008 -2.509 1.00 0.00 C ATOM 580 O SER A 57 -7.211 4.955 -1.298 1.00 0.00 O ATOM 581 CB SER A 57 -7.865 6.835 -4.035 1.00 0.00 C ATOM 582 OG SER A 57 -8.082 7.829 -3.052 1.00 0.00 O ATOM 0 H SER A 57 -9.305 5.380 -1.841 1.00 0.00 H new ATOM 0 HA SER A 57 -7.996 4.735 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.855 6.938 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.552 6.996 -4.866 1.00 0.00 H new ATOM 0 HG SER A 57 -9.040 7.887 -2.852 1.00 0.00 H new ATOM 588 N VAL A 58 -5.801 4.692 -3.013 1.00 0.00 N ATOM 589 CA VAL A 58 -4.694 4.269 -2.181 1.00 0.00 C ATOM 590 C VAL A 58 -3.463 5.000 -2.648 1.00 0.00 C ATOM 591 O VAL A 58 -3.314 5.231 -3.853 1.00 0.00 O ATOM 592 CB VAL A 58 -4.429 2.733 -2.333 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.329 2.273 -1.397 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.694 1.914 -2.115 1.00 0.00 C ATOM 0 H VAL A 58 -5.588 4.719 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.930 4.485 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.101 2.566 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.167 1.203 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.408 2.809 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.620 2.476 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.466 0.854 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.077 2.096 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.446 2.204 -2.848 1.00 0.00 H new ATOM 604 N CYS A 59 -2.599 5.385 -1.742 1.00 0.00 N ATOM 605 CA CYS A 59 -1.371 6.014 -2.134 1.00 0.00 C ATOM 606 C CYS A 59 -0.247 5.630 -1.195 1.00 0.00 C ATOM 607 O CYS A 59 -0.473 5.346 -0.002 1.00 0.00 O ATOM 608 CB CYS A 59 -1.496 7.539 -2.213 1.00 0.00 C ATOM 609 SG CYS A 59 -0.012 8.320 -2.924 1.00 0.00 S ATOM 0 H CYS A 59 -2.725 5.273 -0.736 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.138 5.653 -3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.365 7.799 -2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.671 7.939 -1.214 1.00 0.00 H new ATOM 614 N VAL A 60 0.943 5.578 -1.739 1.00 0.00 N ATOM 615 CA VAL A 60 2.136 5.306 -0.984 1.00 0.00 C ATOM 616 C VAL A 60 2.985 6.565 -0.993 1.00 0.00 C ATOM 617 O VAL A 60 3.339 7.061 -2.072 1.00 0.00 O ATOM 618 CB VAL A 60 2.948 4.141 -1.601 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.217 3.868 -0.798 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.095 2.894 -1.685 1.00 0.00 C ATOM 0 H VAL A 60 1.111 5.726 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 60 1.859 5.016 0.030 1.00 0.00 H new ATOM 0 HB VAL A 60 3.246 4.431 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.767 3.045 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.842 4.761 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.950 3.602 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.678 2.083 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.768 2.609 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.224 3.091 -2.310 1.00 0.00 H new ATOM 630 N PRO A 61 3.296 7.121 0.187 1.00 0.00 N ATOM 631 CA PRO A 61 4.091 8.345 0.304 1.00 0.00 C ATOM 632 C PRO A 61 5.455 8.191 -0.360 1.00 0.00 C ATOM 633 O PRO A 61 6.101 7.133 -0.256 1.00 0.00 O ATOM 634 CB PRO A 61 4.245 8.553 1.820 1.00 0.00 C ATOM 635 CG PRO A 61 3.896 7.238 2.427 1.00 0.00 C ATOM 636 CD PRO A 61 2.911 6.598 1.498 1.00 0.00 C ATOM 0 HA PRO A 61 3.615 9.191 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.262 8.849 2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.584 9.342 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.783 6.615 2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.466 7.369 3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.974 5.510 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.885 6.866 1.753 1.00 0.00 H new ATOM 644 N PHE A 62 5.872 9.222 -1.059 1.00 0.00 N ATOM 645 CA PHE A 62 7.116 9.192 -1.776 1.00 0.00 C ATOM 646 C PHE A 62 8.293 9.143 -0.823 1.00 0.00 C ATOM 647 O PHE A 62 8.302 9.793 0.241 1.00 0.00 O ATOM 648 CB PHE A 62 7.236 10.376 -2.760 1.00 0.00 C ATOM 649 CG PHE A 62 8.512 10.380 -3.585 1.00 0.00 C ATOM 650 CD1 PHE A 62 8.847 9.296 -4.387 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.364 11.470 -3.566 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.000 9.303 -5.140 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.517 11.479 -4.318 1.00 0.00 C ATOM 654 CZ PHE A 62 10.834 10.395 -5.106 1.00 0.00 C ATOM 0 H PHE A 62 5.358 10.099 -1.143 1.00 0.00 H new ATOM 0 HA PHE A 62 7.130 8.278 -2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.381 10.359 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.179 11.308 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.194 8.436 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.121 12.325 -2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.249 8.452 -5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.173 12.336 -4.290 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.738 10.403 -5.697 1.00 0.00 H new ATOM 664 N VAL A 63 9.230 8.307 -1.158 1.00 0.00 N ATOM 665 CA VAL A 63 10.442 8.178 -0.432 1.00 0.00 C ATOM 666 C VAL A 63 11.575 8.217 -1.442 1.00 0.00 C ATOM 667 O VAL A 63 11.651 7.356 -2.307 1.00 0.00 O ATOM 668 CB VAL A 63 10.492 6.828 0.371 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.786 6.691 1.128 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.304 6.703 1.322 1.00 0.00 C ATOM 0 H VAL A 63 9.164 7.685 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 63 10.525 8.987 0.294 1.00 0.00 H new ATOM 0 HB VAL A 63 10.433 6.017 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.790 5.747 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.621 6.709 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.885 7.517 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.368 5.758 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.318 7.529 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.376 6.732 0.751 1.00 0.00 H new ATOM 680 N ASN A 64 12.397 9.240 -1.370 1.00 0.00 N ATOM 681 CA ASN A 64 13.593 9.342 -2.230 1.00 0.00 C ATOM 682 C ASN A 64 14.804 9.200 -1.334 1.00 0.00 C ATOM 683 O ASN A 64 15.963 9.305 -1.758 1.00 0.00 O ATOM 684 CB ASN A 64 13.682 10.708 -2.954 1.00 0.00 C ATOM 685 CG ASN A 64 14.001 11.886 -2.031 1.00 0.00 C ATOM 686 OD1 ASN A 64 15.166 12.213 -1.793 1.00 0.00 O ATOM 687 ND2 ASN A 64 12.999 12.537 -1.529 1.00 0.00 N ATOM 0 H ASN A 64 12.273 10.023 -0.729 1.00 0.00 H new ATOM 0 HA ASN A 64 13.541 8.566 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.449 10.648 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.735 10.902 -3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.165 13.340 -0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.044 12.247 -1.741 1.00 0.00 H new ATOM 694 N ASP A 65 14.486 8.928 -0.103 1.00 0.00 N ATOM 695 CA ASP A 65 15.381 8.877 1.024 1.00 0.00 C ATOM 696 C ASP A 65 16.507 7.903 0.833 1.00 0.00 C ATOM 697 O ASP A 65 16.339 6.840 0.231 1.00 0.00 O ATOM 698 CB ASP A 65 14.602 8.561 2.296 1.00 0.00 C ATOM 699 CG ASP A 65 13.543 9.609 2.607 1.00 0.00 C ATOM 700 OD1 ASP A 65 12.595 9.799 1.779 1.00 0.00 O ATOM 701 OD2 ASP A 65 13.603 10.226 3.682 1.00 0.00 O ATOM 0 H ASP A 65 13.524 8.720 0.163 1.00 0.00 H new ATOM 0 HA ASP A 65 15.840 9.862 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.125 7.586 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.295 8.490 3.134 1.00 0.00 H new ATOM 706 N THR A 66 17.638 8.298 1.380 1.00 0.00 N ATOM 707 CA THR A 66 18.969 7.682 1.298 1.00 0.00 C ATOM 708 C THR A 66 19.028 6.177 1.696 1.00 0.00 C ATOM 709 O THR A 66 20.083 5.552 1.608 1.00 0.00 O ATOM 710 CB THR A 66 19.846 8.461 2.259 1.00 0.00 C ATOM 711 OG1 THR A 66 19.257 9.778 2.430 1.00 0.00 O ATOM 712 CG2 THR A 66 21.248 8.615 1.716 1.00 0.00 C ATOM 0 H THR A 66 17.663 9.142 1.953 1.00 0.00 H new ATOM 0 HA THR A 66 19.288 7.718 0.257 1.00 0.00 H new ATOM 0 HB THR A 66 19.907 7.926 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.805 10.303 3.050 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.854 9.178 2.427 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.689 7.630 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.214 9.149 0.766 1.00 0.00 H new ATOM 720 N LYS A 67 17.924 5.644 2.169 1.00 0.00 N ATOM 721 CA LYS A 67 17.791 4.244 2.570 1.00 0.00 C ATOM 722 C LYS A 67 18.093 3.325 1.359 1.00 0.00 C ATOM 723 O LYS A 67 18.252 3.803 0.219 1.00 0.00 O ATOM 724 CB LYS A 67 16.333 4.017 2.992 1.00 0.00 C ATOM 725 CG LYS A 67 15.810 5.000 4.031 1.00 0.00 C ATOM 726 CD LYS A 67 16.455 4.836 5.391 1.00 0.00 C ATOM 727 CE LYS A 67 15.830 5.808 6.371 1.00 0.00 C ATOM 728 NZ LYS A 67 16.398 5.695 7.724 1.00 0.00 N ATOM 0 H LYS A 67 17.065 6.180 2.292 1.00 0.00 H new ATOM 0 HA LYS A 67 18.482 4.019 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.700 4.074 2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.237 3.006 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.980 6.017 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.732 4.873 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.325 3.813 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.528 5.015 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.970 6.826 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.755 5.631 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.935 6.382 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.242 4.733 8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.419 5.891 7.689 1.00 0.00 H new ATOM 742 N ARG A 68 18.188 2.038 1.568 1.00 0.00 N ATOM 743 CA ARG A 68 18.333 1.169 0.418 1.00 0.00 C ATOM 744 C ARG A 68 16.962 0.759 -0.027 1.00 0.00 C ATOM 745 O ARG A 68 16.732 0.475 -1.195 1.00 0.00 O ATOM 746 CB ARG A 68 19.071 -0.117 0.699 1.00 0.00 C ATOM 747 CG ARG A 68 20.406 -0.047 1.387 1.00 0.00 C ATOM 748 CD ARG A 68 21.048 -1.428 1.310 1.00 0.00 C ATOM 749 NE ARG A 68 20.054 -2.493 1.560 1.00 0.00 N ATOM 750 CZ ARG A 68 20.179 -3.786 1.257 1.00 0.00 C ATOM 751 NH1 ARG A 68 21.333 -4.292 0.815 1.00 0.00 N ATOM 752 NH2 ARG A 68 19.119 -4.564 1.391 1.00 0.00 N ATOM 0 H ARG A 68 18.170 1.579 2.478 1.00 0.00 H new ATOM 0 HA ARG A 68 18.901 1.737 -0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.419 -0.747 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.216 -0.630 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.043 0.697 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.284 0.259 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.497 -1.569 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.853 -1.499 2.041 1.00 0.00 H new ATOM 0 HE ARG A 68 19.183 -2.210 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.146 -3.686 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.402 -5.285 0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.236 -4.171 1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.184 -5.557 1.167 1.00 0.00 H new ATOM 766 N GLU A 69 16.054 0.730 0.920 1.00 0.00 N ATOM 767 CA GLU A 69 14.732 0.245 0.688 1.00 0.00 C ATOM 768 C GLU A 69 13.717 1.361 0.563 1.00 0.00 C ATOM 769 O GLU A 69 13.694 2.311 1.351 1.00 0.00 O ATOM 770 CB GLU A 69 14.268 -0.697 1.804 1.00 0.00 C ATOM 771 CG GLU A 69 15.018 -2.025 1.959 1.00 0.00 C ATOM 772 CD GLU A 69 16.422 -1.911 2.482 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.334 -2.510 1.911 1.00 0.00 O ATOM 774 OE2 GLU A 69 16.637 -1.235 3.496 1.00 0.00 O ATOM 0 H GLU A 69 16.222 1.046 1.875 1.00 0.00 H new ATOM 0 HA GLU A 69 14.787 -0.296 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.335 -0.159 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.214 -0.922 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.449 -2.669 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.048 -2.522 0.989 1.00 0.00 H new ATOM 781 N ARG A 70 12.922 1.261 -0.447 1.00 0.00 N ATOM 782 CA ARG A 70 11.762 2.086 -0.614 1.00 0.00 C ATOM 783 C ARG A 70 10.542 1.225 -0.325 1.00 0.00 C ATOM 784 O ARG A 70 10.615 0.009 -0.464 1.00 0.00 O ATOM 785 CB ARG A 70 11.688 2.666 -2.022 1.00 0.00 C ATOM 786 CG ARG A 70 12.129 4.128 -2.143 1.00 0.00 C ATOM 787 CD ARG A 70 13.532 4.376 -1.641 1.00 0.00 C ATOM 788 NE ARG A 70 14.510 3.573 -2.352 1.00 0.00 N ATOM 789 CZ ARG A 70 15.817 3.688 -2.224 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.330 4.669 -1.505 1.00 0.00 N ATOM 791 NH2 ARG A 70 16.614 2.839 -2.848 1.00 0.00 N ATOM 0 H ARG A 70 13.059 0.588 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 70 11.808 2.932 0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.308 2.059 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.662 2.581 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.066 4.433 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.435 4.756 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.777 5.432 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.582 4.150 -0.576 1.00 0.00 H new ATOM 0 HE ARG A 70 14.160 2.867 -2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.715 5.341 -1.046 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.342 4.755 -1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.217 2.098 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.626 2.924 -2.752 1.00 0.00 H new ATOM 805 N PRO A 71 9.431 1.803 0.101 1.00 0.00 N ATOM 806 CA PRO A 71 8.243 1.032 0.411 1.00 0.00 C ATOM 807 C PRO A 71 7.429 0.657 -0.835 1.00 0.00 C ATOM 808 O PRO A 71 7.228 1.480 -1.746 1.00 0.00 O ATOM 809 CB PRO A 71 7.456 1.965 1.320 1.00 0.00 C ATOM 810 CG PRO A 71 7.822 3.335 0.864 1.00 0.00 C ATOM 811 CD PRO A 71 9.230 3.243 0.326 1.00 0.00 C ATOM 0 HA PRO A 71 8.486 0.072 0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.383 1.792 1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.719 1.813 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.134 3.685 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.767 4.046 1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.342 3.811 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.955 3.641 1.035 1.00 0.00 H new ATOM 819 N TYR A 72 7.001 -0.582 -0.877 1.00 0.00 N ATOM 820 CA TYR A 72 6.176 -1.081 -1.937 1.00 0.00 C ATOM 821 C TYR A 72 5.050 -1.862 -1.270 1.00 0.00 C ATOM 822 O TYR A 72 5.295 -2.834 -0.574 1.00 0.00 O ATOM 823 CB TYR A 72 6.995 -1.992 -2.851 1.00 0.00 C ATOM 824 CG TYR A 72 6.389 -2.209 -4.216 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.810 -1.451 -5.300 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.402 -3.158 -4.426 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.265 -1.632 -6.551 1.00 0.00 C ATOM 828 CE2 TYR A 72 4.851 -3.347 -5.676 1.00 0.00 C ATOM 829 CZ TYR A 72 5.286 -2.581 -6.737 1.00 0.00 C ATOM 830 OH TYR A 72 4.742 -2.766 -7.995 1.00 0.00 O ATOM 0 H TYR A 72 7.222 -1.277 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 72 5.780 -0.273 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.991 -1.565 -2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.120 -2.959 -2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.579 -0.706 -5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.058 -3.760 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.604 -1.032 -7.383 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.082 -4.091 -5.823 1.00 0.00 H new ATOM 0 HH TYR A 72 4.065 -3.473 -7.958 1.00 0.00 H new ATOM 840 N TRP A 73 3.856 -1.449 -1.462 1.00 0.00 N ATOM 841 CA TRP A 73 2.753 -2.024 -0.749 1.00 0.00 C ATOM 842 C TRP A 73 1.900 -2.890 -1.635 1.00 0.00 C ATOM 843 O TRP A 73 1.621 -2.540 -2.783 1.00 0.00 O ATOM 844 CB TRP A 73 1.932 -0.924 -0.098 1.00 0.00 C ATOM 845 CG TRP A 73 2.662 -0.213 1.002 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.549 0.813 0.881 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.546 -0.475 2.392 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.980 1.208 2.120 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.376 0.435 3.066 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.807 -1.389 3.129 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.486 0.456 4.452 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.901 -1.375 4.499 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.736 -0.455 5.154 1.00 0.00 C ATOM 0 H TRP A 73 3.603 -0.706 -2.113 1.00 0.00 H new ATOM 0 HA TRP A 73 3.153 -2.674 0.029 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.640 -0.200 -0.858 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.014 -1.354 0.303 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.866 1.251 -0.054 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.645 1.959 2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.166 -2.102 2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.134 1.159 4.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.326 -2.080 5.080 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.789 -0.464 6.233 1.00 0.00 H new ATOM 864 N TYR A 74 1.523 -4.021 -1.113 1.00 0.00 N ATOM 865 CA TYR A 74 0.660 -4.942 -1.793 1.00 0.00 C ATOM 866 C TYR A 74 -0.666 -5.051 -1.088 1.00 0.00 C ATOM 867 O TYR A 74 -0.728 -5.091 0.141 1.00 0.00 O ATOM 868 CB TYR A 74 1.300 -6.311 -1.926 1.00 0.00 C ATOM 869 CG TYR A 74 2.247 -6.442 -3.095 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.761 -6.644 -4.378 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.610 -6.393 -2.924 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.609 -6.794 -5.442 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.469 -6.538 -3.990 1.00 0.00 C ATOM 874 CZ TYR A 74 3.959 -6.741 -5.247 1.00 0.00 C ATOM 875 OH TYR A 74 4.812 -6.901 -6.314 1.00 0.00 O ATOM 0 H TYR A 74 1.812 -4.334 -0.186 1.00 0.00 H new ATOM 0 HA TYR A 74 0.492 -4.552 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.841 -6.537 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.513 -7.059 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.694 -6.684 -4.541 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.015 -6.238 -1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.211 -6.954 -6.433 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.537 -6.492 -3.838 1.00 0.00 H new ATOM 0 HH TYR A 74 5.739 -6.835 -6.004 1.00 0.00 H new ATOM 885 N LEU A 75 -1.708 -5.145 -1.860 1.00 0.00 N ATOM 886 CA LEU A 75 -3.056 -5.186 -1.351 1.00 0.00 C ATOM 887 C LEU A 75 -3.695 -6.414 -1.926 1.00 0.00 C ATOM 888 O LEU A 75 -3.428 -6.762 -3.085 1.00 0.00 O ATOM 889 CB LEU A 75 -3.835 -3.965 -1.867 1.00 0.00 C ATOM 890 CG LEU A 75 -3.125 -2.609 -1.784 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.989 -1.517 -2.358 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.742 -2.271 -0.365 1.00 0.00 C ATOM 0 H LEU A 75 -1.649 -5.196 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.058 -5.189 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.101 -4.146 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.768 -3.895 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.212 -2.684 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.465 -0.564 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.206 -1.736 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.922 -1.459 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.241 -1.303 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.638 -2.229 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.069 -3.036 0.022 1.00 0.00 H new ATOM 904 N PHE A 76 -4.508 -7.077 -1.141 1.00 0.00 N ATOM 905 CA PHE A 76 -5.127 -8.309 -1.561 1.00 0.00 C ATOM 906 C PHE A 76 -6.601 -8.294 -1.278 1.00 0.00 C ATOM 907 O PHE A 76 -7.036 -7.842 -0.227 1.00 0.00 O ATOM 908 CB PHE A 76 -4.486 -9.496 -0.841 1.00 0.00 C ATOM 909 CG PHE A 76 -3.028 -9.623 -1.102 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.103 -8.979 -0.293 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.577 -10.364 -2.166 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.764 -9.070 -0.556 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.240 -10.465 -2.424 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.331 -9.815 -1.623 1.00 0.00 C ATOM 0 H PHE A 76 -4.758 -6.780 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.976 -8.409 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.649 -9.392 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.985 -10.414 -1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.444 -8.400 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.285 -10.871 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.051 -8.558 0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.896 -11.057 -3.259 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.725 -9.891 -1.834 1.00 0.00 H new ATOM 924 N ASP A 77 -7.355 -8.812 -2.204 1.00 0.00 N ATOM 925 CA ASP A 77 -8.826 -8.902 -2.107 1.00 0.00 C ATOM 926 C ASP A 77 -9.253 -10.155 -1.356 1.00 0.00 C ATOM 927 O ASP A 77 -10.431 -10.401 -1.140 1.00 0.00 O ATOM 928 CB ASP A 77 -9.426 -8.803 -3.518 1.00 0.00 C ATOM 929 CG ASP A 77 -10.913 -9.153 -3.700 1.00 0.00 C ATOM 930 OD1 ASP A 77 -11.797 -8.418 -3.217 1.00 0.00 O ATOM 931 OD2 ASP A 77 -11.208 -10.137 -4.419 1.00 0.00 O ATOM 0 H ASP A 77 -6.981 -9.197 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.214 -8.069 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.278 -7.783 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.848 -9.455 -4.173 1.00 0.00 H new ATOM 936 N ASN A 78 -8.296 -10.926 -0.909 1.00 0.00 N ATOM 937 CA ASN A 78 -8.596 -12.032 -0.066 1.00 0.00 C ATOM 938 C ASN A 78 -7.595 -12.068 1.059 1.00 0.00 C ATOM 939 O ASN A 78 -6.538 -11.452 0.957 1.00 0.00 O ATOM 940 CB ASN A 78 -8.656 -13.354 -0.809 1.00 0.00 C ATOM 941 CG ASN A 78 -9.426 -14.330 0.019 1.00 0.00 C ATOM 942 OD1 ASN A 78 -8.873 -15.131 0.757 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.707 -14.180 -0.009 1.00 0.00 N ATOM 0 H ASN A 78 -7.306 -10.801 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.599 -11.891 0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.134 -13.221 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.650 -13.728 -0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.300 -14.743 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.127 -13.499 -0.641 1.00 0.00 H new ATOM 950 N VAL A 79 -7.940 -12.718 2.151 1.00 0.00 N ATOM 951 CA VAL A 79 -7.083 -12.787 3.312 1.00 0.00 C ATOM 952 C VAL A 79 -5.898 -13.692 3.041 1.00 0.00 C ATOM 953 O VAL A 79 -5.856 -14.382 2.021 1.00 0.00 O ATOM 954 CB VAL A 79 -7.836 -13.299 4.564 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.008 -12.392 4.908 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.295 -14.740 4.366 1.00 0.00 C ATOM 0 H VAL A 79 -8.825 -13.214 2.257 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.740 -11.772 3.512 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.144 -13.278 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.518 -12.776 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.642 -11.385 5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.705 -12.364 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.822 -15.080 5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.964 -14.794 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.428 -15.377 4.192 1.00 0.00 H new ATOM 966 N ASN A 80 -4.930 -13.665 3.941 1.00 0.00 N ATOM 967 CA ASN A 80 -3.715 -14.499 3.846 1.00 0.00 C ATOM 968 C ASN A 80 -2.949 -14.180 2.582 1.00 0.00 C ATOM 969 O ASN A 80 -2.220 -15.022 2.060 1.00 0.00 O ATOM 970 CB ASN A 80 -4.051 -16.018 3.879 1.00 0.00 C ATOM 971 CG ASN A 80 -4.498 -16.556 5.233 1.00 0.00 C ATOM 972 OD1 ASN A 80 -5.169 -15.760 6.013 1.00 0.00 O flip ATOM 973 ND2 ASN A 80 -4.232 -17.712 5.566 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.952 -13.066 4.766 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.099 -14.267 4.715 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.837 -16.215 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.171 -16.575 3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.704 -18.316 4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.540 -18.065 6.472 1.00 0.00 H new ATOM 980 N TYR A 81 -3.069 -12.927 2.145 1.00 0.00 N ATOM 981 CA TYR A 81 -2.372 -12.402 0.983 1.00 0.00 C ATOM 982 C TYR A 81 -2.677 -13.239 -0.263 1.00 0.00 C ATOM 983 O TYR A 81 -1.771 -13.608 -1.020 1.00 0.00 O ATOM 984 CB TYR A 81 -0.855 -12.340 1.256 1.00 0.00 C ATOM 985 CG TYR A 81 -0.522 -11.744 2.612 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.201 -12.465 3.551 1.00 0.00 C ATOM 987 CD2 TYR A 81 -0.973 -10.499 2.966 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.456 -11.953 4.804 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.711 -9.977 4.201 1.00 0.00 C ATOM 990 CZ TYR A 81 -0.003 -10.706 5.125 1.00 0.00 C ATOM 991 OH TYR A 81 0.231 -10.182 6.381 1.00 0.00 O ATOM 0 H TYR A 81 -3.667 -12.238 2.602 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.728 -11.389 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.439 -13.345 1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.375 -11.748 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.571 -13.447 3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.546 -9.921 2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.013 -12.531 5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.062 -8.987 4.452 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.163 -9.286 6.440 1.00 0.00 H new ATOM 1001 N THR A 82 -3.946 -13.534 -0.474 1.00 0.00 N ATOM 1002 CA THR A 82 -4.345 -14.304 -1.625 1.00 0.00 C ATOM 1003 C THR A 82 -5.374 -13.534 -2.453 1.00 0.00 C ATOM 1004 O THR A 82 -5.797 -12.421 -2.076 1.00 0.00 O ATOM 1005 CB THR A 82 -4.931 -15.682 -1.220 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.069 -15.512 -0.367 1.00 0.00 O ATOM 1007 CG2 THR A 82 -3.903 -16.528 -0.505 1.00 0.00 C ATOM 0 H THR A 82 -4.712 -13.251 0.137 1.00 0.00 H new ATOM 0 HA THR A 82 -3.451 -14.477 -2.224 1.00 0.00 H new ATOM 0 HB THR A 82 -5.230 -16.190 -2.137 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.779 -15.153 0.498 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.345 -17.487 -0.235 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.049 -16.694 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.573 -16.014 0.397 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.761 -14.111 -3.568 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.759 -13.524 -4.405 1.00 0.00 C ATOM 1017 C GLY A 83 -6.171 -12.531 -5.358 1.00 0.00 C ATOM 1018 O GLY A 83 -5.084 -12.761 -5.914 1.00 0.00 O ATOM 0 H GLY A 83 -5.389 -14.997 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.270 -14.307 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.510 -13.033 -3.786 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.871 -11.449 -5.569 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.401 -10.376 -6.423 1.00 0.00 C ATOM 1024 C ARG A 84 -5.305 -9.616 -5.714 1.00 0.00 C ATOM 1025 O ARG A 84 -5.389 -9.403 -4.496 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.532 -9.436 -6.758 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.640 -10.039 -7.580 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.800 -9.076 -7.656 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.883 -9.539 -8.512 1.00 0.00 N ATOM 1030 CZ ARG A 84 -12.165 -9.594 -8.146 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.502 -9.572 -6.858 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -13.102 -9.757 -9.066 1.00 0.00 N ATOM 0 H ARG A 84 -7.788 -11.280 -5.155 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.015 -10.803 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.956 -9.056 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.125 -8.580 -7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.279 -10.268 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.965 -10.980 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.188 -8.907 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.441 -8.115 -8.025 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.645 -9.842 -9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.778 -9.513 -6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.484 -9.614 -6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.843 -9.840 -10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.084 -9.800 -8.792 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.318 -9.177 -6.462 1.00 0.00 N ATOM 1047 CA ILE A 85 -3.153 -8.542 -5.888 1.00 0.00 C ATOM 1048 C ILE A 85 -2.933 -7.163 -6.522 1.00 0.00 C ATOM 1049 O ILE A 85 -3.163 -6.965 -7.714 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.880 -9.449 -6.068 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.679 -8.887 -5.314 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.516 -9.592 -7.533 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.562 -9.770 -5.398 1.00 0.00 C ATOM 0 H ILE A 85 -4.300 -9.249 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.322 -8.407 -4.820 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.131 -10.427 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.440 -7.900 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.949 -8.752 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.633 -10.224 -7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.347 -10.047 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.306 -8.609 -7.953 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.376 -9.308 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.341 -10.750 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.857 -9.884 -6.441 1.00 0.00 H new ATOM 1065 N THR A 86 -2.609 -6.204 -5.719 1.00 0.00 N ATOM 1066 CA THR A 86 -2.284 -4.888 -6.210 1.00 0.00 C ATOM 1067 C THR A 86 -0.998 -4.385 -5.582 1.00 0.00 C ATOM 1068 O THR A 86 -0.874 -4.390 -4.368 1.00 0.00 O ATOM 1069 CB THR A 86 -3.462 -3.898 -6.022 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.559 -4.340 -6.834 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.084 -2.481 -6.429 1.00 0.00 C ATOM 0 H THR A 86 -2.559 -6.301 -4.705 1.00 0.00 H new ATOM 0 HA THR A 86 -2.115 -4.958 -7.285 1.00 0.00 H new ATOM 0 HB THR A 86 -3.731 -3.881 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.204 -4.824 -6.277 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.938 -1.820 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.249 -2.137 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.794 -2.469 -7.480 1.00 0.00 H new ATOM 1079 N GLY A 87 -0.044 -4.006 -6.402 1.00 0.00 N ATOM 1080 CA GLY A 87 1.201 -3.498 -5.901 1.00 0.00 C ATOM 1081 C GLY A 87 1.374 -2.035 -6.211 1.00 0.00 C ATOM 1082 O GLY A 87 1.283 -1.634 -7.368 1.00 0.00 O ATOM 0 H GLY A 87 -0.112 -4.042 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.247 -3.649 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.025 -4.062 -6.337 1.00 0.00 H new ATOM 1086 N LEU A 88 1.608 -1.248 -5.194 1.00 0.00 N ATOM 1087 CA LEU A 88 1.805 0.188 -5.325 1.00 0.00 C ATOM 1088 C LEU A 88 3.177 0.574 -4.831 1.00 0.00 C ATOM 1089 O LEU A 88 3.698 -0.032 -3.892 1.00 0.00 O ATOM 1090 CB LEU A 88 0.713 0.962 -4.557 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.440 1.564 -5.386 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.019 2.803 -6.130 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.980 0.545 -6.370 1.00 0.00 C ATOM 0 H LEU A 88 1.670 -1.583 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 88 1.728 0.452 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.281 0.290 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.195 1.772 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.235 1.845 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.812 3.209 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.364 3.550 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.835 2.542 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.792 0.989 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.184 0.235 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.353 -0.323 -5.827 1.00 0.00 H new ATOM 1105 N GLY A 89 3.756 1.565 -5.458 1.00 0.00 N ATOM 1106 CA GLY A 89 5.073 1.992 -5.096 1.00 0.00 C ATOM 1107 C GLY A 89 5.093 3.401 -4.567 1.00 0.00 C ATOM 1108 O GLY A 89 4.104 4.143 -4.695 1.00 0.00 O ATOM 0 H GLY A 89 3.331 2.089 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.476 1.317 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.726 1.924 -5.966 1.00 0.00 H new ATOM 1112 N HIS A 90 6.210 3.758 -3.972 1.00 0.00 N ATOM 1113 CA HIS A 90 6.451 5.084 -3.390 1.00 0.00 C ATOM 1114 C HIS A 90 6.186 6.210 -4.383 1.00 0.00 C ATOM 1115 O HIS A 90 6.707 6.210 -5.493 1.00 0.00 O ATOM 1116 CB HIS A 90 7.898 5.186 -2.847 1.00 0.00 C ATOM 1117 CG HIS A 90 8.975 4.881 -3.868 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.725 5.834 -4.531 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.403 3.688 -4.331 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.559 5.199 -5.360 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.404 3.888 -5.274 1.00 0.00 N ATOM 0 H HIS A 90 7.004 3.126 -3.871 1.00 0.00 H new ATOM 0 HA HIS A 90 5.747 5.201 -2.566 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.057 6.192 -2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.007 4.500 -2.007 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.654 6.844 -4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.026 2.726 -4.017 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.265 5.690 -6.013 1.00 0.00 H new ATOM 1129 N GLY A 91 5.336 7.121 -3.999 1.00 0.00 N ATOM 1130 CA GLY A 91 5.086 8.277 -4.811 1.00 0.00 C ATOM 1131 C GLY A 91 3.962 8.068 -5.781 1.00 0.00 C ATOM 1132 O GLY A 91 3.533 9.009 -6.454 1.00 0.00 O ATOM 0 H GLY A 91 4.805 7.085 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.852 9.125 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.992 8.534 -5.360 1.00 0.00 H new ATOM 1136 N THR A 92 3.465 6.862 -5.851 1.00 0.00 N ATOM 1137 CA THR A 92 2.416 6.543 -6.761 1.00 0.00 C ATOM 1138 C THR A 92 1.110 6.375 -5.980 1.00 0.00 C ATOM 1139 O THR A 92 1.117 5.907 -4.823 1.00 0.00 O ATOM 1140 CB THR A 92 2.768 5.237 -7.494 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.120 5.332 -7.978 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.845 5.002 -8.681 1.00 0.00 C ATOM 0 H THR A 92 3.780 6.080 -5.277 1.00 0.00 H new ATOM 0 HA THR A 92 2.294 7.342 -7.492 1.00 0.00 H new ATOM 0 HB THR A 92 2.654 4.407 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.359 4.505 -8.446 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.120 4.071 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.814 4.937 -8.333 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.939 5.830 -9.384 1.00 0.00 H new ATOM 1150 N CYS A 93 0.017 6.748 -6.591 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.277 6.637 -5.969 1.00 0.00 C ATOM 1152 C CYS A 93 -2.263 6.168 -7.018 1.00 0.00 C ATOM 1153 O CYS A 93 -2.079 6.425 -8.214 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.793 7.986 -5.471 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.588 9.146 -4.686 1.00 0.00 S ATOM 0 H CYS A 93 -0.002 7.137 -7.534 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.182 5.951 -5.127 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.248 8.501 -6.317 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.587 7.793 -4.750 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.287 5.496 -6.589 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.338 5.056 -7.473 1.00 0.00 C ATOM 1162 C ILE A 94 -5.431 6.104 -7.462 1.00 0.00 C ATOM 1163 O ILE A 94 -5.806 6.573 -6.386 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.945 3.738 -6.989 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.859 2.719 -6.760 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.945 3.211 -8.014 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.366 1.401 -6.215 1.00 0.00 C ATOM 0 H ILE A 94 -3.424 5.233 -5.613 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.923 4.912 -8.470 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.465 3.918 -6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.339 2.537 -7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.127 3.131 -6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.370 2.273 -7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.742 3.941 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.438 3.042 -8.964 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.528 0.718 -6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.860 1.569 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.076 0.965 -6.918 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.925 6.481 -8.623 1.00 0.00 N ATOM 1180 CA ASP A 95 -7.009 7.477 -8.696 1.00 0.00 C ATOM 1181 C ASP A 95 -8.303 6.882 -8.198 1.00 0.00 C ATOM 1182 O ASP A 95 -8.992 7.464 -7.354 1.00 0.00 O ATOM 1183 CB ASP A 95 -7.217 8.009 -10.116 1.00 0.00 C ATOM 1184 CG ASP A 95 -6.064 8.815 -10.634 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -5.179 8.248 -11.298 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -6.032 10.049 -10.423 1.00 0.00 O ATOM 0 H ASP A 95 -5.608 6.127 -9.526 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.711 8.312 -8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.391 7.168 -10.787 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.117 8.624 -10.136 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.605 5.706 -8.688 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.797 4.985 -8.311 1.00 0.00 C ATOM 1193 C ASP A 96 -9.447 3.557 -8.051 1.00 0.00 C ATOM 1194 O ASP A 96 -9.295 2.762 -8.994 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.854 4.971 -9.403 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.547 6.272 -9.730 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -12.765 6.385 -9.454 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.933 7.173 -10.322 1.00 0.00 O ATOM 0 H ASP A 96 -8.024 5.216 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.195 5.493 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.387 4.602 -10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.618 4.247 -9.120 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.309 3.208 -6.807 1.00 0.00 N ATOM 1204 CA PHE A 97 -8.978 1.848 -6.445 1.00 0.00 C ATOM 1205 C PHE A 97 -10.101 0.903 -6.851 1.00 0.00 C ATOM 1206 O PHE A 97 -9.867 -0.164 -7.409 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.687 1.748 -4.951 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.333 0.371 -4.517 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -7.194 -0.232 -4.996 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -9.134 -0.318 -3.638 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -6.850 -1.499 -4.609 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -8.797 -1.588 -3.246 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.653 -2.179 -3.734 1.00 0.00 C ATOM 0 H PHE A 97 -9.420 3.844 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.077 1.552 -6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.869 2.423 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.561 2.085 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.561 0.303 -5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -10.032 0.143 -3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.951 -1.959 -4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.429 -2.125 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.389 -3.180 -3.426 1.00 0.00 H new ATOM 1223 N THR A 98 -11.306 1.378 -6.669 1.00 0.00 N ATOM 1224 CA THR A 98 -12.506 0.607 -6.903 1.00 0.00 C ATOM 1225 C THR A 98 -12.685 0.246 -8.390 1.00 0.00 C ATOM 1226 O THR A 98 -13.211 -0.814 -8.734 1.00 0.00 O ATOM 1227 CB THR A 98 -13.757 1.365 -6.345 1.00 0.00 C ATOM 1228 OG1 THR A 98 -14.963 0.679 -6.674 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.822 2.800 -6.859 1.00 0.00 C ATOM 0 H THR A 98 -11.487 2.329 -6.348 1.00 0.00 H new ATOM 0 HA THR A 98 -12.404 -0.336 -6.365 1.00 0.00 H new ATOM 0 HB THR A 98 -13.652 1.394 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.729 1.172 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.704 3.293 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.927 3.339 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.882 2.794 -7.947 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.187 1.092 -9.264 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.353 0.887 -10.693 1.00 0.00 C ATOM 1239 C LYS A 99 -11.243 -0.015 -11.222 1.00 0.00 C ATOM 1240 O LYS A 99 -11.363 -0.593 -12.288 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.324 2.231 -11.419 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.256 3.282 -10.823 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.717 2.965 -10.964 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.560 3.933 -10.119 1.00 0.00 C ATOM 1245 NZ LYS A 99 -15.198 5.365 -10.325 1.00 0.00 N ATOM 0 H LYS A 99 -11.663 1.930 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.315 0.407 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.304 2.616 -11.407 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.593 2.073 -12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.022 3.399 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.057 4.241 -11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.011 3.036 -12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.905 1.939 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.613 3.793 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.440 3.683 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.971 5.971 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.328 5.583 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.042 5.541 -11.338 1.00 0.00 H new ATOM 1259 N SER A 100 -10.201 -0.190 -10.423 1.00 0.00 N ATOM 1260 CA SER A 100 -9.034 -0.965 -10.824 1.00 0.00 C ATOM 1261 C SER A 100 -9.282 -2.478 -10.735 1.00 0.00 C ATOM 1262 O SER A 100 -8.462 -3.284 -11.191 1.00 0.00 O ATOM 1263 CB SER A 100 -7.829 -0.548 -9.984 1.00 0.00 C ATOM 1264 OG SER A 100 -7.575 0.849 -10.132 1.00 0.00 O ATOM 0 H SER A 100 -10.139 0.199 -9.482 1.00 0.00 H new ATOM 0 HA SER A 100 -8.828 -0.751 -11.873 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.011 -0.781 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.951 -1.117 -10.289 1.00 0.00 H new ATOM 0 HG SER A 100 -8.284 1.359 -9.688 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.403 -2.850 -10.173 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.744 -4.234 -10.059 1.00 0.00 C ATOM 1272 C GLY A 101 -11.458 -4.490 -8.779 1.00 0.00 C ATOM 1273 O GLY A 101 -12.679 -4.610 -8.753 1.00 0.00 O ATOM 0 H GLY A 101 -11.094 -2.207 -9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.373 -4.530 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.841 -4.842 -10.107 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.725 -4.542 -7.717 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.315 -4.765 -6.429 1.00 0.00 C ATOM 1279 C PHE A 102 -11.230 -3.512 -5.599 1.00 0.00 C ATOM 1280 O PHE A 102 -10.303 -2.716 -5.770 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.693 -5.970 -5.706 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.230 -5.871 -5.344 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.255 -6.111 -6.281 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.842 -5.595 -4.042 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -6.925 -6.077 -5.939 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.510 -5.556 -3.696 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.550 -5.798 -4.644 1.00 0.00 C ATOM 0 H PHE A 102 -9.711 -4.433 -7.711 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.366 -5.010 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.258 -6.144 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.828 -6.850 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.538 -6.329 -7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.594 -5.408 -3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.171 -6.270 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.222 -5.335 -2.679 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.504 -5.770 -4.376 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.205 -3.312 -4.752 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.226 -2.150 -3.878 1.00 0.00 C ATOM 1299 C LYS A 103 -12.082 -2.603 -2.426 1.00 0.00 C ATOM 1300 O LYS A 103 -11.909 -1.798 -1.533 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.534 -1.314 -4.054 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.774 -1.820 -3.296 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.160 -3.236 -3.672 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.207 -3.778 -2.738 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.514 -5.185 -3.030 1.00 0.00 N ATOM 0 H LYS A 103 -13.003 -3.938 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.389 -1.506 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.332 -0.291 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.775 -1.275 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.582 -1.774 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.613 -1.155 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.536 -3.254 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.278 -3.876 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.860 -3.686 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.115 -3.181 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.239 -5.527 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.868 -5.268 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.652 -5.757 -2.925 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.174 -3.897 -2.222 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.151 -4.453 -0.907 1.00 0.00 C ATOM 1321 C GLY A 104 -10.885 -5.198 -0.648 1.00 0.00 C ATOM 1322 O GLY A 104 -10.596 -6.196 -1.298 1.00 0.00 O ATOM 0 H GLY A 104 -12.267 -4.586 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.261 -3.656 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.001 -5.123 -0.780 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.125 -4.715 0.277 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.873 -5.331 0.620 1.00 0.00 C ATOM 1328 C ILE A 105 -9.077 -6.121 1.859 1.00 0.00 C ATOM 1329 O ILE A 105 -9.452 -5.608 2.910 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.797 -4.240 0.835 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.682 -3.387 -0.414 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.458 -4.844 1.183 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.920 -2.112 -0.210 1.00 0.00 C ATOM 0 H ILE A 105 -10.348 -3.882 0.821 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.531 -5.986 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.104 -3.617 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.195 -3.969 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.683 -3.147 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.727 -4.049 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.548 -5.425 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.131 -5.495 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.881 -1.557 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.418 -1.508 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.906 -2.342 0.118 1.00 0.00 H new ATOM 1345 N SER A 106 -8.905 -7.360 1.675 1.00 0.00 N ATOM 1346 CA SER A 106 -8.991 -8.343 2.655 1.00 0.00 C ATOM 1347 C SER A 106 -7.677 -8.558 3.453 1.00 0.00 C ATOM 1348 O SER A 106 -7.709 -9.049 4.583 1.00 0.00 O ATOM 1349 CB SER A 106 -9.501 -9.571 2.004 1.00 0.00 C ATOM 1350 OG SER A 106 -10.890 -9.490 1.725 1.00 0.00 O ATOM 0 H SER A 106 -8.682 -7.743 0.756 1.00 0.00 H new ATOM 0 HA SER A 106 -9.685 -8.021 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.955 -9.743 1.076 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.311 -10.429 2.649 1.00 0.00 H new ATOM 0 HG SER A 106 -11.052 -9.748 0.793 1.00 0.00 H new ATOM 1356 N SER A 107 -6.534 -8.251 2.846 1.00 0.00 N ATOM 1357 CA SER A 107 -5.253 -8.343 3.537 1.00 0.00 C ATOM 1358 C SER A 107 -4.232 -7.424 2.856 1.00 0.00 C ATOM 1359 O SER A 107 -4.393 -7.094 1.680 1.00 0.00 O ATOM 1360 CB SER A 107 -4.739 -9.801 3.619 1.00 0.00 C ATOM 1361 OG SER A 107 -4.569 -10.404 2.353 1.00 0.00 O ATOM 0 H SER A 107 -6.469 -7.937 1.878 1.00 0.00 H new ATOM 0 HA SER A 107 -5.395 -8.011 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.788 -9.815 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.441 -10.394 4.205 1.00 0.00 H new ATOM 0 HG SER A 107 -5.442 -10.506 1.920 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.209 -7.008 3.577 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.213 -6.077 3.048 1.00 0.00 C ATOM 1369 C ILE A 108 -0.841 -6.583 3.404 1.00 0.00 C ATOM 1370 O ILE A 108 -0.614 -6.941 4.548 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.341 -4.662 3.680 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.745 -4.109 3.529 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.321 -3.708 3.078 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.879 -2.740 4.115 1.00 0.00 C ATOM 0 H ILE A 108 -3.039 -7.299 4.540 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.372 -6.010 1.972 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.137 -4.759 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.009 -4.077 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.453 -4.781 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.429 -2.724 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.316 -4.086 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.486 -3.629 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.901 -2.386 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.642 -2.775 5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.192 -2.060 3.612 1.00 0.00 H new ATOM 1386 N LYS A 109 0.067 -6.588 2.466 1.00 0.00 N ATOM 1387 CA LYS A 109 1.406 -7.027 2.750 1.00 0.00 C ATOM 1388 C LYS A 109 2.366 -5.904 2.405 1.00 0.00 C ATOM 1389 O LYS A 109 2.265 -5.295 1.331 1.00 0.00 O ATOM 1390 CB LYS A 109 1.762 -8.288 1.963 1.00 0.00 C ATOM 1391 CG LYS A 109 2.948 -9.055 2.547 1.00 0.00 C ATOM 1392 CD LYS A 109 3.459 -10.145 1.605 1.00 0.00 C ATOM 1393 CE LYS A 109 2.395 -11.113 1.207 1.00 0.00 C ATOM 1394 NZ LYS A 109 2.884 -12.094 0.231 1.00 0.00 N ATOM 0 H LYS A 109 -0.095 -6.294 1.503 1.00 0.00 H new ATOM 0 HA LYS A 109 1.480 -7.275 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.893 -8.946 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.989 -8.012 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.757 -8.357 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.654 -9.506 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.874 -9.680 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.272 -10.685 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.028 -11.633 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.550 -10.570 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.115 -12.748 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.211 -11.600 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.674 -12.630 0.644 1.00 0.00 H new ATOM 1408 N ARG A 110 3.255 -5.605 3.306 1.00 0.00 N ATOM 1409 CA ARG A 110 4.207 -4.546 3.098 1.00 0.00 C ATOM 1410 C ARG A 110 5.508 -5.104 2.579 1.00 0.00 C ATOM 1411 O ARG A 110 6.166 -5.920 3.255 1.00 0.00 O ATOM 1412 CB ARG A 110 4.497 -3.804 4.398 1.00 0.00 C ATOM 1413 CG ARG A 110 5.441 -2.626 4.224 1.00 0.00 C ATOM 1414 CD ARG A 110 5.916 -2.080 5.560 1.00 0.00 C ATOM 1415 NE ARG A 110 6.853 -2.994 6.232 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.289 -2.863 7.495 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.707 -2.009 8.328 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.267 -3.633 7.939 1.00 0.00 N ATOM 0 H ARG A 110 3.343 -6.084 4.202 1.00 0.00 H new ATOM 0 HA ARG A 110 3.772 -3.858 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.558 -3.448 4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.927 -4.501 5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.302 -2.935 3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.937 -1.836 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.400 -1.116 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.056 -1.905 6.206 1.00 0.00 H new ATOM 0 HE ARG A 110 7.199 -3.790 5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.920 -1.444 8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.047 -1.918 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.690 -4.326 7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.599 -3.534 8.898 1.00 0.00 H new ATOM 1432 N CYS A 111 5.919 -4.638 1.446 1.00 0.00 N ATOM 1433 CA CYS A 111 7.128 -5.067 0.873 1.00 0.00 C ATOM 1434 C CYS A 111 8.050 -3.864 0.738 1.00 0.00 C ATOM 1435 O CYS A 111 7.636 -2.703 0.926 1.00 0.00 O ATOM 1436 CB CYS A 111 6.864 -5.692 -0.497 1.00 0.00 C ATOM 1437 SG CYS A 111 5.619 -7.044 -0.538 1.00 0.00 S ATOM 0 H CYS A 111 5.413 -3.944 0.896 1.00 0.00 H new ATOM 0 HA CYS A 111 7.597 -5.821 1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.539 -4.905 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.806 -6.080 -0.885 1.00 0.00 H new ATOM 1442 N ILE A 112 9.271 -4.131 0.461 1.00 0.00 N ATOM 1443 CA ILE A 112 10.270 -3.128 0.293 1.00 0.00 C ATOM 1444 C ILE A 112 10.960 -3.356 -1.018 1.00 0.00 C ATOM 1445 O ILE A 112 11.119 -4.489 -1.448 1.00 0.00 O ATOM 1446 CB ILE A 112 11.321 -3.177 1.414 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.755 -4.620 1.645 1.00 0.00 C ATOM 1448 CG2 ILE A 112 10.784 -2.550 2.695 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.029 -4.766 2.404 1.00 0.00 C ATOM 0 H ILE A 112 9.620 -5.082 0.340 1.00 0.00 H new ATOM 0 HA ILE A 112 9.783 -2.153 0.323 1.00 0.00 H new ATOM 0 HB ILE A 112 12.191 -2.594 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.964 -5.143 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.863 -5.113 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.548 -2.598 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.521 -1.509 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.898 -3.094 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.263 -5.824 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.835 -4.275 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.922 -4.306 3.386 1.00 0.00 H new ATOM 1461 N GLN A 113 11.345 -2.317 -1.646 1.00 0.00 N ATOM 1462 CA GLN A 113 12.022 -2.416 -2.891 1.00 0.00 C ATOM 1463 C GLN A 113 13.339 -1.728 -2.756 1.00 0.00 C ATOM 1464 O GLN A 113 13.393 -0.526 -2.466 1.00 0.00 O ATOM 1465 CB GLN A 113 11.187 -1.802 -4.000 1.00 0.00 C ATOM 1466 CG GLN A 113 11.761 -2.016 -5.382 1.00 0.00 C ATOM 1467 CD GLN A 113 10.830 -1.541 -6.460 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.070 -0.594 -6.279 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.855 -2.207 -7.566 1.00 0.00 N ATOM 0 H GLN A 113 11.202 -1.363 -1.315 1.00 0.00 H new ATOM 0 HA GLN A 113 12.183 -3.461 -3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.183 -2.225 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.089 -0.732 -3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.711 -1.488 -5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.972 -3.076 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.502 -2.988 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.228 -1.952 -8.329 1.00 0.00 H new ATOM 1478 N THR A 114 14.391 -2.463 -2.938 1.00 0.00 N ATOM 1479 CA THR A 114 15.702 -1.928 -2.739 1.00 0.00 C ATOM 1480 C THR A 114 16.120 -1.106 -3.969 1.00 0.00 C ATOM 1481 O THR A 114 15.367 -1.017 -4.950 1.00 0.00 O ATOM 1482 CB THR A 114 16.729 -3.061 -2.501 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.955 -3.778 -3.721 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.211 -4.049 -1.458 1.00 0.00 C ATOM 0 H THR A 114 14.367 -3.441 -3.226 1.00 0.00 H new ATOM 0 HA THR A 114 15.681 -1.287 -1.858 1.00 0.00 H new ATOM 0 HB THR A 114 17.655 -2.606 -2.148 1.00 0.00 H new ATOM 0 HG1 THR A 114 16.143 -3.755 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.948 -4.837 -1.306 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.038 -3.527 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.276 -4.489 -1.806 1.00 0.00 H new ATOM 1492 N LYS A 115 17.315 -0.525 -3.931 1.00 0.00 N ATOM 1493 CA LYS A 115 17.858 0.234 -5.067 1.00 0.00 C ATOM 1494 C LYS A 115 18.122 -0.702 -6.251 1.00 0.00 C ATOM 1495 O LYS A 115 18.209 -0.281 -7.398 1.00 0.00 O ATOM 1496 CB LYS A 115 19.143 0.966 -4.636 1.00 0.00 C ATOM 1497 CG LYS A 115 19.870 1.754 -5.732 1.00 0.00 C ATOM 1498 CD LYS A 115 18.973 2.782 -6.422 1.00 0.00 C ATOM 1499 CE LYS A 115 18.485 3.902 -5.498 1.00 0.00 C ATOM 1500 NZ LYS A 115 19.583 4.738 -4.962 1.00 0.00 N ATOM 0 H LYS A 115 17.935 -0.563 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 115 17.130 0.979 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.892 1.654 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.835 0.231 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 115 20.729 2.264 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.256 1.058 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.519 3.224 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.108 2.270 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.788 4.537 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.932 3.463 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.185 5.497 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.218 4.149 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 20.118 5.156 -5.750 1.00 0.00 H new ATOM 1514 N ASP A 116 18.218 -1.971 -5.956 1.00 0.00 N ATOM 1515 CA ASP A 116 18.430 -2.981 -6.970 1.00 0.00 C ATOM 1516 C ASP A 116 17.126 -3.400 -7.633 1.00 0.00 C ATOM 1517 O ASP A 116 17.118 -4.259 -8.522 1.00 0.00 O ATOM 1518 CB ASP A 116 19.169 -4.185 -6.403 1.00 0.00 C ATOM 1519 CG ASP A 116 20.655 -3.974 -6.329 1.00 0.00 C ATOM 1520 OD1 ASP A 116 21.346 -4.183 -7.352 1.00 0.00 O ATOM 1521 OD2 ASP A 116 21.172 -3.607 -5.254 1.00 0.00 O ATOM 0 H ASP A 116 18.152 -2.339 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 116 19.057 -2.535 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 116 18.787 -4.403 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.961 -5.058 -7.022 1.00 0.00 H new ATOM 1526 N GLY A 117 16.026 -2.824 -7.175 1.00 0.00 N ATOM 1527 CA GLY A 117 14.731 -3.052 -7.788 1.00 0.00 C ATOM 1528 C GLY A 117 14.028 -4.281 -7.274 1.00 0.00 C ATOM 1529 O GLY A 117 12.863 -4.529 -7.615 1.00 0.00 O ATOM 0 H GLY A 117 16.007 -2.191 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.098 -2.182 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.860 -3.142 -8.867 1.00 0.00 H new ATOM 1533 N LYS A 118 14.707 -5.040 -6.441 1.00 0.00 N ATOM 1534 CA LYS A 118 14.140 -6.253 -5.910 1.00 0.00 C ATOM 1535 C LYS A 118 13.134 -5.910 -4.835 1.00 0.00 C ATOM 1536 O LYS A 118 13.382 -5.032 -3.990 1.00 0.00 O ATOM 1537 CB LYS A 118 15.223 -7.205 -5.369 1.00 0.00 C ATOM 1538 CG LYS A 118 16.009 -6.682 -4.191 1.00 0.00 C ATOM 1539 CD LYS A 118 17.014 -7.707 -3.654 1.00 0.00 C ATOM 1540 CE LYS A 118 18.030 -8.143 -4.711 1.00 0.00 C ATOM 1541 NZ LYS A 118 19.023 -9.097 -4.173 1.00 0.00 N ATOM 0 H LYS A 118 15.653 -4.835 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 118 13.636 -6.780 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.748 -8.143 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.919 -7.434 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.540 -5.777 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.320 -6.402 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.542 -7.280 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.476 -8.582 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.505 -8.602 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.546 -7.265 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.690 -9.364 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 19.543 -8.652 -3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.535 -9.947 -3.825 1.00 0.00 H new ATOM 1555 N VAL A 119 12.010 -6.551 -4.885 1.00 0.00 N ATOM 1556 CA VAL A 119 10.987 -6.308 -3.921 1.00 0.00 C ATOM 1557 C VAL A 119 10.969 -7.471 -2.953 1.00 0.00 C ATOM 1558 O VAL A 119 10.578 -8.587 -3.300 1.00 0.00 O ATOM 1559 CB VAL A 119 9.574 -6.133 -4.577 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.526 -5.751 -3.537 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.603 -5.090 -5.678 1.00 0.00 C ATOM 0 H VAL A 119 11.777 -7.252 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 119 11.209 -5.373 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 119 9.303 -7.095 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.557 -5.637 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.463 -6.533 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.808 -4.810 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.608 -4.992 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.913 -4.131 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.308 -5.396 -6.451 1.00 0.00 H new ATOM 1571 N GLU A 120 11.377 -7.193 -1.765 1.00 0.00 N ATOM 1572 CA GLU A 120 11.432 -8.151 -0.697 1.00 0.00 C ATOM 1573 C GLU A 120 10.218 -7.907 0.145 1.00 0.00 C ATOM 1574 O GLU A 120 9.706 -6.792 0.149 1.00 0.00 O ATOM 1575 CB GLU A 120 12.692 -7.909 0.131 1.00 0.00 C ATOM 1576 CG GLU A 120 13.989 -8.058 -0.640 1.00 0.00 C ATOM 1577 CD GLU A 120 14.252 -9.480 -1.052 1.00 0.00 C ATOM 1578 OE1 GLU A 120 13.888 -9.876 -2.179 1.00 0.00 O ATOM 1579 OE2 GLU A 120 14.846 -10.238 -0.247 1.00 0.00 O ATOM 0 H GLU A 120 11.694 -6.263 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 120 11.457 -9.175 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.648 -6.905 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.700 -8.606 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.955 -7.426 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.816 -7.702 -0.026 1.00 0.00 H new ATOM 1586 N CYS A 121 9.742 -8.876 0.847 1.00 0.00 N ATOM 1587 CA CYS A 121 8.555 -8.655 1.597 1.00 0.00 C ATOM 1588 C CYS A 121 8.616 -9.380 2.881 1.00 0.00 C ATOM 1589 O CYS A 121 9.334 -10.377 3.008 1.00 0.00 O ATOM 1590 CB CYS A 121 7.342 -9.115 0.823 1.00 0.00 C ATOM 1591 SG CYS A 121 5.892 -8.108 1.158 1.00 0.00 S ATOM 0 H CYS A 121 10.145 -9.810 0.918 1.00 0.00 H new ATOM 0 HA CYS A 121 8.472 -7.585 1.788 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.563 -9.085 -0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.126 -10.153 1.075 1.00 0.00 H new