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= -2.4! K(o=-1.1!,f=1.3) USER MOD Set 1.2: A 82 THR OG1 : rot -73:sc= 1.25 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 CYS SG : rot -76:sc= 1.49 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 30 TYR OH : rot 50:sc= 1.24 USER MOD Single : A 33 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00128 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 50:sc= 0.847 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 50:sc= 0.256 USER MOD Single : A 57 SER OG : rot -63:sc= 0.713 USER MOD Single : A 64 ASN : amide:sc= 0.00266 X(o=0.0027,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc=0.000144 USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= -0.015 (180deg=-0.145) 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 : amide:sc= -2.58! K(o=-2.6!,f=-0.13) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 102:sc= 1.66 USER MOD Single : A 90 HIS : no HE2:sc= 0.0342 K(o=0.034,f=-1.8!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -32:sc= 0.0853 USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.879) USER MOD Single : A 100 SER OG : rot 72:sc= 0.847 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 127:sc= 1.19 USER MOD Single : A 107 SER OG : rot -80:sc= 1.21 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 1.14 K(o=1.1,f=-0.25) USER MOD Single : A 114 THR OG1 : rot -75:sc= -1.81! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -169:sc= 0.679 (180deg=0.331) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 6.764 5.804 5.058 1.00 0.00 N ATOM 76 CA TYR A 25 6.666 4.334 5.198 1.00 0.00 C ATOM 77 C TYR A 25 5.291 3.916 5.681 1.00 0.00 C ATOM 78 O TYR A 25 5.140 2.973 6.457 1.00 0.00 O ATOM 79 CB TYR A 25 7.781 3.782 6.123 1.00 0.00 C ATOM 80 CG TYR A 25 9.171 3.881 5.535 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.894 2.741 5.243 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.745 5.111 5.246 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.147 2.823 4.687 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.989 5.209 4.691 1.00 0.00 C ATOM 85 CZ TYR A 25 11.694 4.062 4.411 1.00 0.00 C ATOM 86 OH TYR A 25 12.942 4.151 3.860 1.00 0.00 O ATOM 0 HA TYR A 25 6.812 3.899 4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.757 4.325 7.068 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.567 2.738 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.468 1.771 5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.194 6.014 5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.702 1.923 4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.415 6.178 4.474 1.00 0.00 H new ATOM 0 HH TYR A 25 13.111 3.362 3.304 1.00 0.00 H new ATOM 96 N CYS A 26 4.294 4.583 5.168 1.00 0.00 N ATOM 97 CA CYS A 26 2.933 4.310 5.527 1.00 0.00 C ATOM 98 C CYS A 26 2.149 4.014 4.278 1.00 0.00 C ATOM 99 O CYS A 26 2.538 4.427 3.188 1.00 0.00 O ATOM 100 CB CYS A 26 2.310 5.537 6.171 1.00 0.00 C ATOM 101 SG CYS A 26 3.280 6.293 7.493 1.00 0.00 S ATOM 0 H CYS A 26 4.405 5.334 4.487 1.00 0.00 H new ATOM 0 HA CYS A 26 2.914 3.467 6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.137 6.285 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.334 5.261 6.571 1.00 0.00 H new ATOM 0 HG CYS A 26 3.179 5.574 8.571 1.00 0.00 H new ATOM 106 N LEU A 27 1.093 3.287 4.431 1.00 0.00 N ATOM 107 CA LEU A 27 0.161 3.046 3.373 1.00 0.00 C ATOM 108 C LEU A 27 -1.091 3.789 3.729 1.00 0.00 C ATOM 109 O LEU A 27 -1.678 3.533 4.780 1.00 0.00 O ATOM 110 CB LEU A 27 -0.133 1.555 3.259 1.00 0.00 C ATOM 111 CG LEU A 27 -1.104 1.112 2.172 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.633 1.516 0.793 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.295 -0.359 2.231 1.00 0.00 C ATOM 0 H LEU A 27 0.846 2.834 5.311 1.00 0.00 H new ATOM 0 HA LEU A 27 0.561 3.379 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.812 1.037 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.523 1.215 4.218 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.054 1.614 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.355 1.180 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.539 2.601 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.336 1.059 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.991 -0.667 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.337 -0.857 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.698 -0.635 3.206 1.00 0.00 H new ATOM 125 N GLN A 28 -1.473 4.738 2.926 1.00 0.00 N ATOM 126 CA GLN A 28 -2.659 5.479 3.223 1.00 0.00 C ATOM 127 C GLN A 28 -3.725 5.134 2.238 1.00 0.00 C ATOM 128 O GLN A 28 -3.527 5.226 1.010 1.00 0.00 O ATOM 129 CB GLN A 28 -2.370 6.962 3.189 1.00 0.00 C ATOM 130 CG GLN A 28 -1.414 7.416 4.279 1.00 0.00 C ATOM 131 CD GLN A 28 -0.997 8.861 4.127 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.727 9.675 3.595 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.164 9.197 4.615 1.00 0.00 N ATOM 0 H GLN A 28 -0.987 5.013 2.072 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.003 5.219 4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.950 7.220 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.307 7.510 3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.887 7.279 5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.527 6.783 4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.755 8.492 5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.481 10.165 4.556 1.00 0.00 H new ATOM 142 N LEU A 29 -4.831 4.708 2.751 1.00 0.00 N ATOM 143 CA LEU A 29 -5.946 4.382 1.939 1.00 0.00 C ATOM 144 C LEU A 29 -7.017 5.401 2.154 1.00 0.00 C ATOM 145 O LEU A 29 -7.408 5.645 3.293 1.00 0.00 O ATOM 146 CB LEU A 29 -6.437 2.965 2.207 1.00 0.00 C ATOM 147 CG LEU A 29 -5.364 1.875 2.090 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.823 1.457 3.449 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.876 0.693 1.324 1.00 0.00 C ATOM 0 H LEU A 29 -4.983 4.577 3.751 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.649 4.403 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.864 2.928 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.243 2.737 1.509 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.531 2.304 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.066 0.684 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.378 2.320 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.637 1.068 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.094 -0.064 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.742 0.275 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.164 1.007 0.321 1.00 0.00 H new ATOM 161 N TYR A 30 -7.472 5.997 1.097 1.00 0.00 N ATOM 162 CA TYR A 30 -8.466 7.036 1.175 1.00 0.00 C ATOM 163 C TYR A 30 -9.831 6.452 1.026 1.00 0.00 C ATOM 164 O TYR A 30 -10.007 5.425 0.366 1.00 0.00 O ATOM 165 CB TYR A 30 -8.251 8.071 0.097 1.00 0.00 C ATOM 166 CG TYR A 30 -6.938 8.797 0.180 1.00 0.00 C ATOM 167 CD1 TYR A 30 -5.831 8.350 -0.530 1.00 0.00 C ATOM 168 CD2 TYR A 30 -6.807 9.938 0.950 1.00 0.00 C ATOM 169 CE1 TYR A 30 -4.634 9.026 -0.479 1.00 0.00 C ATOM 170 CE2 TYR A 30 -5.608 10.620 1.014 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.526 10.159 0.293 1.00 0.00 C ATOM 172 OH TYR A 30 -3.336 10.850 0.325 1.00 0.00 O ATOM 0 H TYR A 30 -7.167 5.780 0.148 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.374 7.516 2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.321 7.584 -0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.059 8.801 0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.911 7.457 -1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.656 10.302 1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.784 8.669 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.518 11.507 1.624 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.026 11.010 -0.591 1.00 0.00 H new ATOM 182 N ASP A 31 -10.797 7.109 1.594 1.00 0.00 N ATOM 183 CA ASP A 31 -12.150 6.615 1.582 1.00 0.00 C ATOM 184 C ASP A 31 -12.803 6.866 0.242 1.00 0.00 C ATOM 185 O ASP A 31 -13.528 6.022 -0.268 1.00 0.00 O ATOM 186 CB ASP A 31 -12.962 7.238 2.701 1.00 0.00 C ATOM 187 CG ASP A 31 -14.339 6.629 2.835 1.00 0.00 C ATOM 188 OD1 ASP A 31 -15.323 7.230 2.342 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.462 5.539 3.459 1.00 0.00 O ATOM 0 H ASP A 31 -10.676 7.999 2.078 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.117 5.538 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.425 7.121 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.059 8.309 2.521 1.00 0.00 H new ATOM 194 N GLU A 32 -12.512 7.998 -0.342 1.00 0.00 N ATOM 195 CA GLU A 32 -13.049 8.345 -1.635 1.00 0.00 C ATOM 196 C GLU A 32 -11.955 8.279 -2.663 1.00 0.00 C ATOM 197 O GLU A 32 -10.798 7.971 -2.330 1.00 0.00 O ATOM 198 CB GLU A 32 -13.684 9.724 -1.627 1.00 0.00 C ATOM 199 CG GLU A 32 -14.858 9.850 -0.692 1.00 0.00 C ATOM 200 CD GLU A 32 -15.471 11.208 -0.741 1.00 0.00 C ATOM 201 OE1 GLU A 32 -15.051 12.095 0.018 1.00 0.00 O ATOM 202 OE2 GLU A 32 -16.409 11.426 -1.526 1.00 0.00 O ATOM 0 H GLU A 32 -11.898 8.705 0.062 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.832 7.629 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.929 10.459 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.009 9.969 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.609 9.104 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.534 9.635 0.326 1.00 0.00 H new ATOM 209 N THR A 33 -12.294 8.535 -3.894 1.00 0.00 N ATOM 210 CA THR A 33 -11.366 8.495 -4.959 1.00 0.00 C ATOM 211 C THR A 33 -10.512 9.764 -4.970 1.00 0.00 C ATOM 212 O THR A 33 -10.797 10.716 -4.222 1.00 0.00 O ATOM 213 CB THR A 33 -12.153 8.349 -6.256 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.364 9.114 -6.128 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.505 6.903 -6.513 1.00 0.00 C ATOM 0 H THR A 33 -13.242 8.780 -4.178 1.00 0.00 H new ATOM 0 HA THR A 33 -10.686 7.651 -4.843 1.00 0.00 H new ATOM 0 HB THR A 33 -11.548 8.706 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.197 10.039 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.066 6.825 -7.444 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.591 6.314 -6.590 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.112 6.525 -5.691 1.00 0.00 H new ATOM 223 N TYR A 34 -9.449 9.750 -5.784 1.00 0.00 N ATOM 224 CA TYR A 34 -8.533 10.890 -5.999 1.00 0.00 C ATOM 225 C TYR A 34 -8.069 11.578 -4.707 1.00 0.00 C ATOM 226 O TYR A 34 -8.030 12.807 -4.627 1.00 0.00 O ATOM 227 CB TYR A 34 -9.046 11.890 -7.094 1.00 0.00 C ATOM 228 CG TYR A 34 -10.457 12.419 -6.915 1.00 0.00 C ATOM 229 CD1 TYR A 34 -10.700 13.659 -6.356 1.00 0.00 C ATOM 230 CD2 TYR A 34 -11.545 11.660 -7.307 1.00 0.00 C ATOM 231 CE1 TYR A 34 -11.986 14.120 -6.193 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.824 12.102 -7.142 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.045 13.338 -6.580 1.00 0.00 C ATOM 234 OH TYR A 34 -14.330 13.810 -6.416 1.00 0.00 O ATOM 0 H TYR A 34 -9.191 8.927 -6.328 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.624 10.447 -6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.364 12.740 -7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.987 11.395 -8.063 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.870 14.274 -6.043 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.377 10.692 -7.755 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.161 15.094 -5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.657 11.487 -7.450 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.968 13.140 -6.739 1.00 0.00 H new ATOM 244 N GLU A 35 -7.738 10.757 -3.698 1.00 0.00 N ATOM 245 CA GLU A 35 -7.214 11.206 -2.398 1.00 0.00 C ATOM 246 C GLU A 35 -8.250 11.979 -1.568 1.00 0.00 C ATOM 247 O GLU A 35 -7.892 12.747 -0.670 1.00 0.00 O ATOM 248 CB GLU A 35 -5.924 12.033 -2.539 1.00 0.00 C ATOM 249 CG GLU A 35 -4.744 11.306 -3.168 1.00 0.00 C ATOM 250 CD GLU A 35 -3.470 12.103 -3.027 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.708 11.858 -2.067 1.00 0.00 O ATOM 252 OE2 GLU A 35 -3.231 13.024 -3.834 1.00 0.00 O ATOM 0 H GLU A 35 -7.829 9.743 -3.764 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.975 10.290 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.144 12.917 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.628 12.383 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.620 10.332 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.947 11.124 -4.223 1.00 0.00 H new ATOM 259 N ARG A 36 -9.512 11.758 -1.830 1.00 0.00 N ATOM 260 CA ARG A 36 -10.553 12.438 -1.089 1.00 0.00 C ATOM 261 C ARG A 36 -11.127 11.585 0.034 1.00 0.00 C ATOM 262 O ARG A 36 -10.912 10.363 0.090 1.00 0.00 O ATOM 263 CB ARG A 36 -11.658 12.946 -2.013 1.00 0.00 C ATOM 264 CG ARG A 36 -11.269 14.107 -2.921 1.00 0.00 C ATOM 265 CD ARG A 36 -10.914 15.382 -2.150 1.00 0.00 C ATOM 266 NE ARG A 36 -9.631 15.285 -1.446 1.00 0.00 N ATOM 267 CZ ARG A 36 -9.320 15.888 -0.297 1.00 0.00 C ATOM 268 NH1 ARG A 36 -10.219 16.630 0.339 1.00 0.00 N ATOM 269 NH2 ARG A 36 -8.107 15.730 0.216 1.00 0.00 N ATOM 0 H ARG A 36 -9.847 11.115 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.081 13.301 -0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.997 12.118 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.507 13.253 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.417 13.811 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.093 14.319 -3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.879 16.222 -2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.703 15.596 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.911 14.703 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.155 16.742 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.973 17.088 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.420 15.151 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.861 16.187 1.094 1.00 0.00 H new ATOM 283 N GLY A 37 -11.845 12.240 0.921 1.00 0.00 N ATOM 284 CA GLY A 37 -12.456 11.586 2.042 1.00 0.00 C ATOM 285 C GLY A 37 -11.482 11.458 3.166 1.00 0.00 C ATOM 286 O GLY A 37 -10.501 12.227 3.240 1.00 0.00 O ATOM 0 H GLY A 37 -12.018 13.244 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.327 12.152 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.811 10.599 1.746 1.00 0.00 H new ATOM 290 N SER A 38 -11.720 10.532 4.044 1.00 0.00 N ATOM 291 CA SER A 38 -10.787 10.272 5.084 1.00 0.00 C ATOM 292 C SER A 38 -9.752 9.301 4.575 1.00 0.00 C ATOM 293 O SER A 38 -9.833 8.844 3.429 1.00 0.00 O ATOM 294 CB SER A 38 -11.486 9.731 6.331 1.00 0.00 C ATOM 295 OG SER A 38 -12.321 8.607 6.022 1.00 0.00 O ATOM 0 H SER A 38 -12.555 9.946 4.057 1.00 0.00 H new ATOM 0 HA SER A 38 -10.299 11.203 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.739 9.438 7.069 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.088 10.519 6.782 1.00 0.00 H new ATOM 0 HG SER A 38 -12.752 8.284 6.841 1.00 0.00 H new ATOM 301 N TYR A 39 -8.790 9.008 5.373 1.00 0.00 N ATOM 302 CA TYR A 39 -7.789 8.063 5.017 1.00 0.00 C ATOM 303 C TYR A 39 -7.325 7.404 6.270 1.00 0.00 C ATOM 304 O TYR A 39 -7.636 7.871 7.378 1.00 0.00 O ATOM 305 CB TYR A 39 -6.603 8.727 4.279 1.00 0.00 C ATOM 306 CG TYR A 39 -5.788 9.660 5.130 1.00 0.00 C ATOM 307 CD1 TYR A 39 -6.305 10.863 5.544 1.00 0.00 C ATOM 308 CD2 TYR A 39 -4.509 9.322 5.523 1.00 0.00 C ATOM 309 CE1 TYR A 39 -5.588 11.713 6.327 1.00 0.00 C ATOM 310 CE2 TYR A 39 -3.765 10.163 6.308 1.00 0.00 C ATOM 311 CZ TYR A 39 -4.310 11.368 6.713 1.00 0.00 C ATOM 312 OH TYR A 39 -3.578 12.233 7.510 1.00 0.00 O ATOM 0 H TYR A 39 -8.672 9.419 6.299 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.209 7.331 4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.950 7.946 3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.987 9.279 3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.304 11.140 5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.088 8.379 5.207 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.017 12.652 6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.764 9.888 6.607 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.698 11.843 7.694 1.00 0.00 H new ATOM 322 N ILE A 40 -6.639 6.342 6.123 1.00 0.00 N ATOM 323 CA ILE A 40 -6.106 5.629 7.234 1.00 0.00 C ATOM 324 C ILE A 40 -4.608 5.536 7.036 1.00 0.00 C ATOM 325 O ILE A 40 -4.134 5.553 5.894 1.00 0.00 O ATOM 326 CB ILE A 40 -6.716 4.191 7.308 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.305 3.478 8.611 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.309 3.373 6.085 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.889 2.090 8.773 1.00 0.00 C ATOM 0 H ILE A 40 -6.422 5.928 5.216 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.348 6.145 8.163 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.802 4.284 7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.218 3.408 8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.613 4.090 9.459 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.743 2.375 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.671 3.864 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.223 3.294 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.550 1.660 9.715 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.977 2.151 8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.561 1.459 7.947 1.00 0.00 H new ATOM 341 N GLU A 41 -3.877 5.475 8.100 1.00 0.00 N ATOM 342 CA GLU A 41 -2.475 5.266 8.004 1.00 0.00 C ATOM 343 C GLU A 41 -2.199 3.863 8.445 1.00 0.00 C ATOM 344 O GLU A 41 -2.603 3.447 9.534 1.00 0.00 O ATOM 345 CB GLU A 41 -1.737 6.247 8.899 1.00 0.00 C ATOM 346 CG GLU A 41 -1.808 7.681 8.432 1.00 0.00 C ATOM 347 CD GLU A 41 -1.381 8.648 9.494 1.00 0.00 C ATOM 348 OE1 GLU A 41 -2.257 9.299 10.104 1.00 0.00 O ATOM 349 OE2 GLU A 41 -0.171 8.763 9.767 1.00 0.00 O ATOM 0 H GLU A 41 -4.233 5.568 9.051 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.134 5.422 6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.148 6.183 9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.691 5.948 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.174 7.806 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.828 7.910 8.124 1.00 0.00 H new ATOM 356 N VAL A 42 -1.550 3.142 7.603 1.00 0.00 N ATOM 357 CA VAL A 42 -1.185 1.788 7.868 1.00 0.00 C ATOM 358 C VAL A 42 0.313 1.710 7.850 1.00 0.00 C ATOM 359 O VAL A 42 0.955 2.280 6.965 1.00 0.00 O ATOM 360 CB VAL A 42 -1.803 0.845 6.805 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.357 -0.583 6.994 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.316 0.926 6.841 1.00 0.00 C ATOM 0 H VAL A 42 -1.249 3.480 6.689 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.563 1.471 8.840 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.448 1.178 5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.813 -1.211 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.272 -0.639 6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.664 -0.933 7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.734 0.258 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.673 0.630 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.631 1.949 6.633 1.00 0.00 H new ATOM 372 N TYR A 43 0.865 1.060 8.827 1.00 0.00 N ATOM 373 CA TYR A 43 2.298 0.984 8.962 1.00 0.00 C ATOM 374 C TYR A 43 2.771 -0.466 8.859 1.00 0.00 C ATOM 375 O TYR A 43 3.896 -0.745 8.431 1.00 0.00 O ATOM 376 CB TYR A 43 2.694 1.557 10.326 1.00 0.00 C ATOM 377 CG TYR A 43 2.100 2.931 10.624 1.00 0.00 C ATOM 378 CD1 TYR A 43 2.666 4.091 10.123 1.00 0.00 C ATOM 379 CD2 TYR A 43 0.968 3.056 11.421 1.00 0.00 C ATOM 380 CE1 TYR A 43 2.124 5.335 10.410 1.00 0.00 C ATOM 381 CE2 TYR A 43 0.423 4.291 11.706 1.00 0.00 C ATOM 382 CZ TYR A 43 1.007 5.429 11.198 1.00 0.00 C ATOM 383 OH TYR A 43 0.477 6.678 11.501 1.00 0.00 O ATOM 0 H TYR A 43 0.344 0.568 9.553 1.00 0.00 H new ATOM 0 HA TYR A 43 2.766 1.557 8.161 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.381 0.862 11.105 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.781 1.624 10.378 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.544 4.026 9.498 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.505 2.168 11.826 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.582 6.229 10.013 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.459 4.364 12.325 1.00 0.00 H new ATOM 0 HH TYR A 43 0.375 7.199 10.677 1.00 0.00 H new ATOM 393 N LYS A 44 1.893 -1.368 9.208 1.00 0.00 N ATOM 394 CA LYS A 44 2.202 -2.781 9.289 1.00 0.00 C ATOM 395 C LYS A 44 1.393 -3.558 8.264 1.00 0.00 C ATOM 396 O LYS A 44 0.419 -3.053 7.725 1.00 0.00 O ATOM 397 CB LYS A 44 1.857 -3.293 10.688 1.00 0.00 C ATOM 398 CG LYS A 44 0.383 -3.154 11.018 1.00 0.00 C ATOM 399 CD LYS A 44 0.066 -3.620 12.408 1.00 0.00 C ATOM 400 CE LYS A 44 -1.416 -3.489 12.681 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.784 -4.006 14.004 1.00 0.00 N ATOM 0 H LYS A 44 0.927 -1.144 9.449 1.00 0.00 H new ATOM 0 HA LYS A 44 3.264 -2.922 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.145 -4.341 10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.443 -2.744 11.425 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.085 -2.111 10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.204 -3.729 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.375 -4.658 12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.629 -3.033 13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.706 -2.441 12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.974 -4.027 11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.808 -3.896 14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.532 -5.013 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.273 -3.476 14.738 1.00 0.00 H new ATOM 415 N SER A 45 1.806 -4.756 7.995 1.00 0.00 N ATOM 416 CA SER A 45 1.081 -5.623 7.120 1.00 0.00 C ATOM 417 C SER A 45 -0.034 -6.343 7.903 1.00 0.00 C ATOM 418 O SER A 45 0.137 -6.675 9.086 1.00 0.00 O ATOM 419 CB SER A 45 2.059 -6.600 6.455 1.00 0.00 C ATOM 420 OG SER A 45 2.992 -7.135 7.394 1.00 0.00 O ATOM 0 H SER A 45 2.660 -5.163 8.378 1.00 0.00 H new ATOM 0 HA SER A 45 0.596 -5.050 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.501 -7.414 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.598 -6.089 5.657 1.00 0.00 H new ATOM 0 HG SER A 45 3.598 -7.754 6.936 1.00 0.00 H new ATOM 426 N VAL A 46 -1.160 -6.550 7.274 1.00 0.00 N ATOM 427 CA VAL A 46 -2.283 -7.179 7.917 1.00 0.00 C ATOM 428 C VAL A 46 -2.655 -8.443 7.152 1.00 0.00 C ATOM 429 O VAL A 46 -2.772 -8.426 5.920 1.00 0.00 O ATOM 430 CB VAL A 46 -3.516 -6.219 8.024 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.060 -5.840 6.662 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.599 -6.825 8.903 1.00 0.00 C ATOM 0 H VAL A 46 -1.325 -6.288 6.302 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.993 -7.434 8.936 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.172 -5.298 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.914 -5.174 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.284 -5.334 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.374 -6.739 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.445 -6.140 8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.928 -7.772 8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.201 -6.998 9.903 1.00 0.00 H new ATOM 442 N GLY A 47 -2.843 -9.524 7.858 1.00 0.00 N ATOM 443 CA GLY A 47 -3.137 -10.762 7.199 1.00 0.00 C ATOM 444 C GLY A 47 -4.617 -11.005 7.007 1.00 0.00 C ATOM 445 O GLY A 47 -5.009 -11.836 6.182 1.00 0.00 O ATOM 0 H GLY A 47 -2.798 -9.572 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.646 -10.772 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.714 -11.583 7.778 1.00 0.00 H new ATOM 449 N SER A 48 -5.445 -10.286 7.730 1.00 0.00 N ATOM 450 CA SER A 48 -6.871 -10.475 7.627 1.00 0.00 C ATOM 451 C SER A 48 -7.658 -9.252 8.080 1.00 0.00 C ATOM 452 O SER A 48 -7.466 -8.751 9.186 1.00 0.00 O ATOM 453 CB SER A 48 -7.292 -11.733 8.399 1.00 0.00 C ATOM 454 OG SER A 48 -6.723 -11.756 9.708 1.00 0.00 O ATOM 0 H SER A 48 -5.155 -9.567 8.393 1.00 0.00 H new ATOM 0 HA SER A 48 -7.110 -10.613 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.379 -11.770 8.472 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.979 -12.621 7.849 1.00 0.00 H new ATOM 0 HG SER A 48 -7.011 -12.568 10.175 1.00 0.00 H new ATOM 460 N LEU A 49 -8.498 -8.767 7.205 1.00 0.00 N ATOM 461 CA LEU A 49 -9.366 -7.651 7.479 1.00 0.00 C ATOM 462 C LEU A 49 -10.794 -8.109 7.372 1.00 0.00 C ATOM 463 O LEU A 49 -11.209 -8.644 6.339 1.00 0.00 O ATOM 464 CB LEU A 49 -9.104 -6.557 6.452 1.00 0.00 C ATOM 465 CG LEU A 49 -7.724 -5.928 6.521 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.468 -5.075 5.305 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.601 -5.099 7.783 1.00 0.00 C ATOM 0 H LEU A 49 -8.601 -9.144 6.263 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.179 -7.264 8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.247 -6.974 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.851 -5.773 6.580 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.977 -6.721 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.474 -4.633 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.530 -5.692 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.215 -4.283 5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.609 -4.650 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.356 -4.312 7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.750 -5.738 8.654 1.00 0.00 H new ATOM 479 N SER A 50 -11.505 -8.009 8.448 1.00 0.00 N ATOM 480 CA SER A 50 -12.890 -8.322 8.474 1.00 0.00 C ATOM 481 C SER A 50 -13.672 -7.210 9.199 1.00 0.00 C ATOM 482 O SER A 50 -13.404 -6.927 10.369 1.00 0.00 O ATOM 483 CB SER A 50 -13.099 -9.674 9.120 1.00 0.00 C ATOM 484 OG SER A 50 -12.286 -10.651 8.471 1.00 0.00 O ATOM 0 H SER A 50 -11.130 -7.702 9.346 1.00 0.00 H new ATOM 0 HA SER A 50 -13.272 -8.378 7.455 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.847 -9.624 10.179 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.149 -9.960 9.055 1.00 0.00 H new ATOM 0 HG SER A 50 -12.424 -11.524 8.894 1.00 0.00 H new ATOM 490 N PRO A 51 -14.579 -6.511 8.511 1.00 0.00 N ATOM 491 CA PRO A 51 -14.800 -6.696 7.085 1.00 0.00 C ATOM 492 C PRO A 51 -13.665 -6.040 6.275 1.00 0.00 C ATOM 493 O PRO A 51 -12.934 -5.180 6.814 1.00 0.00 O ATOM 494 CB PRO A 51 -16.129 -5.979 6.834 1.00 0.00 C ATOM 495 CG PRO A 51 -16.212 -4.938 7.896 1.00 0.00 C ATOM 496 CD PRO A 51 -15.474 -5.489 9.088 1.00 0.00 C ATOM 0 HA PRO A 51 -14.821 -7.744 6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.155 -5.532 5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.969 -6.672 6.894 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.764 -4.003 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.250 -4.721 8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.911 -4.711 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.159 -5.923 9.816 1.00 0.00 H new ATOM 504 N PRO A 52 -13.479 -6.445 5.010 1.00 0.00 N ATOM 505 CA PRO A 52 -12.423 -5.901 4.152 1.00 0.00 C ATOM 506 C PRO A 52 -12.565 -4.387 3.980 1.00 0.00 C ATOM 507 O PRO A 52 -13.665 -3.825 4.132 1.00 0.00 O ATOM 508 CB PRO A 52 -12.640 -6.616 2.804 1.00 0.00 C ATOM 509 CG PRO A 52 -14.027 -7.143 2.865 1.00 0.00 C ATOM 510 CD PRO A 52 -14.280 -7.459 4.307 1.00 0.00 C ATOM 0 HA PRO A 52 -11.429 -6.062 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.516 -5.928 1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.918 -7.421 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.741 -6.408 2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.135 -8.033 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.338 -7.383 4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.964 -8.471 4.561 1.00 0.00 H new ATOM 518 N TRP A 53 -11.491 -3.742 3.648 1.00 0.00 N ATOM 519 CA TRP A 53 -11.495 -2.309 3.495 1.00 0.00 C ATOM 520 C TRP A 53 -11.837 -1.973 2.086 1.00 0.00 C ATOM 521 O TRP A 53 -11.287 -2.563 1.172 1.00 0.00 O ATOM 522 CB TRP A 53 -10.119 -1.706 3.819 1.00 0.00 C ATOM 523 CG TRP A 53 -9.716 -1.769 5.266 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.531 -1.943 6.342 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.389 -1.624 5.794 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.798 -1.921 7.501 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.485 -1.724 7.195 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.133 -1.423 5.223 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.372 -1.628 8.030 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -6.031 -1.333 6.055 1.00 0.00 C ATOM 531 CH2 TRP A 53 -6.158 -1.435 7.441 1.00 0.00 C ATOM 0 H TRP A 53 -10.588 -4.184 3.475 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.229 -1.896 4.187 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.365 -2.223 3.226 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.114 -0.663 3.502 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.601 -2.079 6.291 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.176 -2.034 8.442 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -7.022 -1.339 4.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.468 -1.704 9.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.053 -1.181 5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.276 -1.359 8.060 1.00 0.00 H new ATOM 542 N THR A 54 -12.747 -1.057 1.901 1.00 0.00 N ATOM 543 CA THR A 54 -13.103 -0.622 0.580 1.00 0.00 C ATOM 544 C THR A 54 -12.687 0.850 0.346 1.00 0.00 C ATOM 545 O THR A 54 -13.503 1.772 0.512 1.00 0.00 O ATOM 546 CB THR A 54 -14.621 -0.827 0.305 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.412 -0.181 1.328 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.955 -2.312 0.278 1.00 0.00 C ATOM 0 H THR A 54 -13.258 -0.595 2.654 1.00 0.00 H new ATOM 0 HA THR A 54 -12.554 -1.241 -0.129 1.00 0.00 H new ATOM 0 HB THR A 54 -14.854 -0.384 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.107 0.743 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.020 -2.442 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.381 -2.800 -0.510 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.704 -2.759 1.240 1.00 0.00 H new ATOM 556 N PRO A 55 -11.387 1.108 0.069 1.00 0.00 N ATOM 557 CA PRO A 55 -10.906 2.446 -0.193 1.00 0.00 C ATOM 558 C PRO A 55 -11.268 2.939 -1.594 1.00 0.00 C ATOM 559 O PRO A 55 -11.448 2.151 -2.531 1.00 0.00 O ATOM 560 CB PRO A 55 -9.392 2.312 -0.057 1.00 0.00 C ATOM 561 CG PRO A 55 -9.110 0.914 -0.434 1.00 0.00 C ATOM 562 CD PRO A 55 -10.286 0.123 0.037 1.00 0.00 C ATOM 0 HA PRO A 55 -11.351 3.173 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.871 3.012 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.065 2.522 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.980 0.818 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.189 0.561 0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.508 -0.703 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.108 -0.310 1.022 1.00 0.00 H new ATOM 570 N GLY A 56 -11.368 4.232 -1.728 1.00 0.00 N ATOM 571 CA GLY A 56 -11.660 4.820 -3.000 1.00 0.00 C ATOM 572 C GLY A 56 -10.390 5.058 -3.778 1.00 0.00 C ATOM 573 O GLY A 56 -10.384 5.018 -5.007 1.00 0.00 O ATOM 0 H GLY A 56 -11.250 4.900 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.322 4.165 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.188 5.763 -2.858 1.00 0.00 H new ATOM 577 N SER A 57 -9.309 5.269 -3.060 1.00 0.00 N ATOM 578 CA SER A 57 -8.021 5.510 -3.644 1.00 0.00 C ATOM 579 C SER A 57 -6.945 5.106 -2.651 1.00 0.00 C ATOM 580 O SER A 57 -7.202 5.058 -1.452 1.00 0.00 O ATOM 581 CB SER A 57 -7.883 6.985 -4.098 1.00 0.00 C ATOM 582 OG SER A 57 -8.201 7.908 -3.074 1.00 0.00 O ATOM 0 H SER A 57 -9.307 5.277 -2.040 1.00 0.00 H new ATOM 0 HA SER A 57 -7.904 4.904 -4.542 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.862 7.162 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.536 7.159 -4.953 1.00 0.00 H new ATOM 0 HG SER A 57 -9.142 7.803 -2.820 1.00 0.00 H new ATOM 588 N VAL A 58 -5.769 4.772 -3.132 1.00 0.00 N ATOM 589 CA VAL A 58 -4.685 4.332 -2.256 1.00 0.00 C ATOM 590 C VAL A 58 -3.436 5.055 -2.674 1.00 0.00 C ATOM 591 O VAL A 58 -3.235 5.259 -3.864 1.00 0.00 O ATOM 592 CB VAL A 58 -4.411 2.798 -2.413 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.371 2.321 -1.414 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.683 1.973 -2.296 1.00 0.00 C ATOM 0 H VAL A 58 -5.530 4.794 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.964 4.540 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.017 2.650 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.202 1.252 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.437 2.859 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.727 2.509 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.443 0.916 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.135 2.138 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.384 2.273 -3.075 1.00 0.00 H new ATOM 604 N CYS A 59 -2.605 5.447 -1.743 1.00 0.00 N ATOM 605 CA CYS A 59 -1.373 6.079 -2.113 1.00 0.00 C ATOM 606 C CYS A 59 -0.254 5.731 -1.143 1.00 0.00 C ATOM 607 O CYS A 59 -0.497 5.458 0.048 1.00 0.00 O ATOM 608 CB CYS A 59 -1.525 7.597 -2.238 1.00 0.00 C ATOM 609 SG CYS A 59 -0.060 8.391 -2.977 1.00 0.00 S ATOM 0 H CYS A 59 -2.758 5.341 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.104 5.691 -3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.401 7.822 -2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.705 8.023 -1.251 1.00 0.00 H new ATOM 614 N VAL A 60 0.952 5.705 -1.665 1.00 0.00 N ATOM 615 CA VAL A 60 2.142 5.484 -0.891 1.00 0.00 C ATOM 616 C VAL A 60 3.006 6.730 -1.021 1.00 0.00 C ATOM 617 O VAL A 60 3.307 7.151 -2.140 1.00 0.00 O ATOM 618 CB VAL A 60 2.945 4.262 -1.409 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.201 4.033 -0.577 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.082 3.018 -1.421 1.00 0.00 C ATOM 0 H VAL A 60 1.131 5.840 -2.660 1.00 0.00 H new ATOM 0 HA VAL A 60 1.864 5.284 0.144 1.00 0.00 H new ATOM 0 HB VAL A 60 3.254 4.478 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.742 3.170 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.839 4.915 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.922 3.850 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.666 2.174 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.734 2.807 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.224 3.177 -2.074 1.00 0.00 H new ATOM 630 N PRO A 61 3.383 7.356 0.096 1.00 0.00 N ATOM 631 CA PRO A 61 4.218 8.557 0.083 1.00 0.00 C ATOM 632 C PRO A 61 5.627 8.282 -0.471 1.00 0.00 C ATOM 633 O PRO A 61 6.206 7.202 -0.248 1.00 0.00 O ATOM 634 CB PRO A 61 4.288 8.967 1.559 1.00 0.00 C ATOM 635 CG PRO A 61 3.977 7.721 2.311 1.00 0.00 C ATOM 636 CD PRO A 61 3.021 6.953 1.458 1.00 0.00 C ATOM 0 HA PRO A 61 3.805 9.331 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.275 9.350 1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.571 9.756 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.882 7.143 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.537 7.951 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.129 5.878 1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.986 7.203 1.689 1.00 0.00 H new ATOM 644 N PHE A 62 6.155 9.248 -1.197 1.00 0.00 N ATOM 645 CA PHE A 62 7.465 9.159 -1.796 1.00 0.00 C ATOM 646 C PHE A 62 8.528 9.137 -0.723 1.00 0.00 C ATOM 647 O PHE A 62 8.451 9.879 0.259 1.00 0.00 O ATOM 648 CB PHE A 62 7.703 10.331 -2.762 1.00 0.00 C ATOM 649 CG PHE A 62 9.057 10.317 -3.430 1.00 0.00 C ATOM 650 CD1 PHE A 62 10.044 11.223 -3.060 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.345 9.394 -4.416 1.00 0.00 C ATOM 652 CE1 PHE A 62 11.284 11.203 -3.664 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.584 9.371 -5.021 1.00 0.00 C ATOM 654 CZ PHE A 62 11.554 10.277 -4.646 1.00 0.00 C ATOM 0 H PHE A 62 5.676 10.128 -1.388 1.00 0.00 H new ATOM 0 HA PHE A 62 7.521 8.231 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.931 10.316 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.590 11.267 -2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.838 11.952 -2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.591 8.682 -4.717 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.042 11.913 -3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.795 8.642 -5.790 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.523 10.260 -5.122 1.00 0.00 H new ATOM 664 N VAL A 63 9.490 8.271 -0.885 1.00 0.00 N ATOM 665 CA VAL A 63 10.552 8.155 0.052 1.00 0.00 C ATOM 666 C VAL A 63 11.882 8.421 -0.649 1.00 0.00 C ATOM 667 O VAL A 63 12.151 7.865 -1.709 1.00 0.00 O ATOM 668 CB VAL A 63 10.536 6.766 0.752 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.671 6.636 1.722 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.210 6.546 1.468 1.00 0.00 C ATOM 0 H VAL A 63 9.552 7.629 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 63 10.419 8.901 0.835 1.00 0.00 H new ATOM 0 HB VAL A 63 10.655 6.003 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.634 5.655 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.617 6.748 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.589 7.411 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.216 5.570 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.069 7.323 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.395 6.588 0.745 1.00 0.00 H new ATOM 680 N ASN A 64 12.668 9.292 -0.064 1.00 0.00 N ATOM 681 CA ASN A 64 13.969 9.712 -0.594 1.00 0.00 C ATOM 682 C ASN A 64 15.047 9.400 0.442 1.00 0.00 C ATOM 683 O ASN A 64 16.107 10.029 0.492 1.00 0.00 O ATOM 684 CB ASN A 64 13.939 11.223 -0.907 1.00 0.00 C ATOM 685 CG ASN A 64 13.556 12.094 0.285 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.372 12.371 0.509 1.00 0.00 O ATOM 687 ND2 ASN A 64 14.528 12.529 1.050 1.00 0.00 N ATOM 0 H ASN A 64 12.426 9.747 0.816 1.00 0.00 H new ATOM 0 HA ASN A 64 14.190 9.174 -1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.921 11.529 -1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.232 11.402 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.318 13.115 1.858 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.494 12.282 0.837 1.00 0.00 H new ATOM 694 N ASP A 65 14.745 8.391 1.226 1.00 0.00 N ATOM 695 CA ASP A 65 15.557 7.899 2.350 1.00 0.00 C ATOM 696 C ASP A 65 16.935 7.457 1.877 1.00 0.00 C ATOM 697 O ASP A 65 17.088 6.947 0.748 1.00 0.00 O ATOM 698 CB ASP A 65 14.849 6.712 3.013 1.00 0.00 C ATOM 699 CG ASP A 65 15.270 6.438 4.448 1.00 0.00 C ATOM 700 OD1 ASP A 65 16.469 6.332 4.732 1.00 0.00 O ATOM 701 OD2 ASP A 65 14.364 6.297 5.319 1.00 0.00 O ATOM 0 H ASP A 65 13.886 7.854 1.103 1.00 0.00 H new ATOM 0 HA ASP A 65 15.678 8.713 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.774 6.891 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.035 5.818 2.418 1.00 0.00 H new ATOM 706 N THR A 66 17.928 7.681 2.716 1.00 0.00 N ATOM 707 CA THR A 66 19.310 7.322 2.462 1.00 0.00 C ATOM 708 C THR A 66 19.481 5.777 2.340 1.00 0.00 C ATOM 709 O THR A 66 20.518 5.283 1.858 1.00 0.00 O ATOM 710 CB THR A 66 20.169 7.881 3.612 1.00 0.00 C ATOM 711 OG1 THR A 66 19.819 9.266 3.799 1.00 0.00 O ATOM 712 CG2 THR A 66 21.659 7.794 3.302 1.00 0.00 C ATOM 0 H THR A 66 17.791 8.132 3.621 1.00 0.00 H new ATOM 0 HA THR A 66 19.631 7.750 1.513 1.00 0.00 H new ATOM 0 HB THR A 66 19.976 7.290 4.507 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.353 9.643 4.529 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.229 8.199 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.937 6.752 3.143 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.878 8.369 2.402 1.00 0.00 H new ATOM 720 N LYS A 67 18.470 5.027 2.775 1.00 0.00 N ATOM 721 CA LYS A 67 18.474 3.578 2.635 1.00 0.00 C ATOM 722 C LYS A 67 18.471 3.176 1.160 1.00 0.00 C ATOM 723 O LYS A 67 18.212 4.000 0.277 1.00 0.00 O ATOM 724 CB LYS A 67 17.302 2.937 3.387 1.00 0.00 C ATOM 725 CG LYS A 67 17.301 3.240 4.877 1.00 0.00 C ATOM 726 CD LYS A 67 18.602 2.809 5.534 1.00 0.00 C ATOM 727 CE LYS A 67 18.641 3.183 7.004 1.00 0.00 C ATOM 728 NZ LYS A 67 17.553 2.556 7.774 1.00 0.00 N ATOM 0 H LYS A 67 17.637 5.403 3.228 1.00 0.00 H new ATOM 0 HA LYS A 67 19.392 3.203 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.366 3.287 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.335 1.857 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.150 4.308 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.465 2.728 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.722 1.731 5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.442 3.275 5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 67 19.600 2.884 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.574 4.266 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.718 2.702 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.645 2.987 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.526 1.537 7.570 1.00 0.00 H new ATOM 742 N ARG A 68 18.743 1.929 0.902 1.00 0.00 N ATOM 743 CA ARG A 68 18.902 1.436 -0.460 1.00 0.00 C ATOM 744 C ARG A 68 17.572 0.956 -0.969 1.00 0.00 C ATOM 745 O ARG A 68 17.289 0.951 -2.168 1.00 0.00 O ATOM 746 CB ARG A 68 19.813 0.252 -0.424 1.00 0.00 C ATOM 747 CG ARG A 68 21.096 0.477 0.324 1.00 0.00 C ATOM 748 CD ARG A 68 21.756 -0.841 0.581 1.00 0.00 C ATOM 749 NE ARG A 68 20.865 -1.742 1.345 1.00 0.00 N ATOM 750 CZ ARG A 68 21.220 -2.892 1.916 1.00 0.00 C ATOM 751 NH1 ARG A 68 22.477 -3.306 1.872 1.00 0.00 N ATOM 752 NH2 ARG A 68 20.297 -3.622 2.520 1.00 0.00 N ATOM 0 H ARG A 68 18.863 1.216 1.621 1.00 0.00 H new ATOM 0 HA ARG A 68 19.296 2.229 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.283 -0.585 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 68 20.050 -0.040 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.759 1.122 -0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.896 0.987 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.025 -1.308 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.682 -0.686 1.134 1.00 0.00 H new ATOM 0 HE ARG A 68 19.891 -1.457 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.183 -2.743 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.739 -4.188 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.329 -3.302 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.553 -4.505 2.962 1.00 0.00 H new ATOM 766 N GLU A 69 16.785 0.531 -0.038 1.00 0.00 N ATOM 767 CA GLU A 69 15.503 -0.002 -0.278 1.00 0.00 C ATOM 768 C GLU A 69 14.425 0.951 0.214 1.00 0.00 C ATOM 769 O GLU A 69 14.502 1.485 1.320 1.00 0.00 O ATOM 770 CB GLU A 69 15.354 -1.399 0.373 1.00 0.00 C ATOM 771 CG GLU A 69 15.771 -1.501 1.855 1.00 0.00 C ATOM 772 CD GLU A 69 17.282 -1.528 2.073 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.908 -0.459 2.300 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.874 -2.627 2.015 1.00 0.00 O ATOM 0 H GLU A 69 17.037 0.550 0.950 1.00 0.00 H new ATOM 0 HA GLU A 69 15.380 -0.123 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.313 -1.709 0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.947 -2.111 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.350 -0.656 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.336 -2.404 2.283 1.00 0.00 H new ATOM 781 N ARG A 70 13.467 1.201 -0.630 1.00 0.00 N ATOM 782 CA ARG A 70 12.335 2.038 -0.300 1.00 0.00 C ATOM 783 C ARG A 70 11.100 1.167 -0.099 1.00 0.00 C ATOM 784 O ARG A 70 11.029 0.079 -0.650 1.00 0.00 O ATOM 785 CB ARG A 70 12.097 3.125 -1.368 1.00 0.00 C ATOM 786 CG ARG A 70 12.856 4.438 -1.142 1.00 0.00 C ATOM 787 CD ARG A 70 14.371 4.286 -1.138 1.00 0.00 C ATOM 788 NE ARG A 70 14.899 3.863 -2.437 1.00 0.00 N ATOM 789 CZ ARG A 70 16.129 4.129 -2.892 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.960 4.900 -2.187 1.00 0.00 N ATOM 791 NH2 ARG A 70 16.522 3.629 -4.055 1.00 0.00 N ATOM 0 H ARG A 70 13.443 0.828 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 70 12.549 2.563 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.379 2.724 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.030 3.343 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.575 5.147 -1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.542 4.868 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.827 5.235 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.657 3.558 -0.379 1.00 0.00 H new ATOM 0 HE ARG A 70 14.281 3.323 -3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.659 5.291 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.896 5.098 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.888 3.044 -4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.459 3.829 -4.406 1.00 0.00 H new ATOM 805 N PRO A 71 10.121 1.615 0.691 1.00 0.00 N ATOM 806 CA PRO A 71 8.933 0.809 1.001 1.00 0.00 C ATOM 807 C PRO A 71 7.963 0.661 -0.190 1.00 0.00 C ATOM 808 O PRO A 71 7.760 1.597 -0.981 1.00 0.00 O ATOM 809 CB PRO A 71 8.294 1.580 2.156 1.00 0.00 C ATOM 810 CG PRO A 71 8.673 2.990 1.901 1.00 0.00 C ATOM 811 CD PRO A 71 10.065 2.936 1.336 1.00 0.00 C ATOM 0 HA PRO A 71 9.189 -0.222 1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.211 1.454 2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.667 1.235 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.983 3.461 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.645 3.576 2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.240 3.740 0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.819 3.034 2.117 1.00 0.00 H new ATOM 819 N TYR A 72 7.396 -0.519 -0.306 1.00 0.00 N ATOM 820 CA TYR A 72 6.486 -0.879 -1.368 1.00 0.00 C ATOM 821 C TYR A 72 5.287 -1.590 -0.710 1.00 0.00 C ATOM 822 O TYR A 72 5.462 -2.307 0.278 1.00 0.00 O ATOM 823 CB TYR A 72 7.228 -1.828 -2.324 1.00 0.00 C ATOM 824 CG TYR A 72 6.611 -2.004 -3.694 1.00 0.00 C ATOM 825 CD1 TYR A 72 7.076 -1.263 -4.770 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.593 -2.915 -3.921 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.550 -1.428 -6.030 1.00 0.00 C ATOM 828 CE2 TYR A 72 5.057 -3.080 -5.181 1.00 0.00 C ATOM 829 CZ TYR A 72 5.541 -2.335 -6.231 1.00 0.00 C ATOM 830 OH TYR A 72 5.020 -2.510 -7.492 1.00 0.00 O ATOM 0 H TYR A 72 7.561 -1.277 0.357 1.00 0.00 H new ATOM 0 HA TYR A 72 6.137 -0.014 -1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.247 -1.461 -2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.298 -2.807 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.866 -0.543 -4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.213 -3.505 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.930 -0.846 -6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.261 -3.791 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 72 4.314 -3.189 -7.463 1.00 0.00 H new ATOM 840 N TRP A 73 4.100 -1.402 -1.213 1.00 0.00 N ATOM 841 CA TRP A 73 2.937 -1.968 -0.581 1.00 0.00 C ATOM 842 C TRP A 73 2.144 -2.847 -1.533 1.00 0.00 C ATOM 843 O TRP A 73 1.974 -2.513 -2.707 1.00 0.00 O ATOM 844 CB TRP A 73 2.070 -0.843 -0.007 1.00 0.00 C ATOM 845 CG TRP A 73 2.718 -0.119 1.143 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.587 0.929 1.085 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.529 -0.401 2.519 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.936 1.320 2.354 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.294 0.519 3.253 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.772 -1.337 3.195 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.318 0.519 4.645 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.786 -1.344 4.566 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.551 -0.419 5.284 1.00 0.00 C ATOM 0 H TRP A 73 3.910 -0.862 -2.057 1.00 0.00 H new ATOM 0 HA TRP A 73 3.267 -2.614 0.232 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.846 -0.127 -0.798 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.119 -1.260 0.325 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.948 1.385 0.175 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.571 2.084 2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.176 -2.055 2.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.916 1.228 5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.197 -2.075 5.100 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.537 -0.445 6.364 1.00 0.00 H new ATOM 864 N TYR A 74 1.706 -3.977 -1.035 1.00 0.00 N ATOM 865 CA TYR A 74 0.888 -4.904 -1.779 1.00 0.00 C ATOM 866 C TYR A 74 -0.464 -5.065 -1.115 1.00 0.00 C ATOM 867 O TYR A 74 -0.555 -5.137 0.112 1.00 0.00 O ATOM 868 CB TYR A 74 1.576 -6.264 -1.928 1.00 0.00 C ATOM 869 CG TYR A 74 2.580 -6.338 -3.064 1.00 0.00 C ATOM 870 CD1 TYR A 74 2.148 -6.412 -4.386 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.941 -6.351 -2.826 1.00 0.00 C ATOM 872 CE1 TYR A 74 3.042 -6.494 -5.429 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.848 -6.435 -3.872 1.00 0.00 C ATOM 874 CZ TYR A 74 4.389 -6.505 -5.170 1.00 0.00 C ATOM 875 OH TYR A 74 5.288 -6.581 -6.221 1.00 0.00 O ATOM 0 H TYR A 74 1.911 -4.284 -0.084 1.00 0.00 H new ATOM 0 HA TYR A 74 0.744 -4.493 -2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.084 -6.505 -0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.814 -7.028 -2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.089 -6.405 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.304 -6.295 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.685 -6.549 -6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.909 -6.446 -3.670 1.00 0.00 H new ATOM 0 HH TYR A 74 6.203 -6.577 -5.870 1.00 0.00 H new ATOM 885 N LEU A 75 -1.495 -5.168 -1.919 1.00 0.00 N ATOM 886 CA LEU A 75 -2.863 -5.234 -1.430 1.00 0.00 C ATOM 887 C LEU A 75 -3.494 -6.477 -2.018 1.00 0.00 C ATOM 888 O LEU A 75 -3.187 -6.838 -3.164 1.00 0.00 O ATOM 889 CB LEU A 75 -3.648 -4.004 -1.944 1.00 0.00 C ATOM 890 CG LEU A 75 -2.939 -2.638 -1.849 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.803 -1.540 -2.422 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.552 -2.305 -0.425 1.00 0.00 C ATOM 0 H LEU A 75 -1.415 -5.209 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.880 -5.253 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.909 -4.179 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.583 -3.941 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.025 -2.710 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.280 -0.587 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.014 -1.752 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.740 -1.487 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.055 -1.335 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.447 -2.270 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.875 -3.069 -0.044 1.00 0.00 H new ATOM 904 N PHE A 76 -4.333 -7.146 -1.240 1.00 0.00 N ATOM 905 CA PHE A 76 -4.959 -8.396 -1.659 1.00 0.00 C ATOM 906 C PHE A 76 -6.439 -8.375 -1.336 1.00 0.00 C ATOM 907 O PHE A 76 -6.846 -7.851 -0.286 1.00 0.00 O ATOM 908 CB PHE A 76 -4.308 -9.581 -0.937 1.00 0.00 C ATOM 909 CG PHE A 76 -2.829 -9.674 -1.149 1.00 0.00 C ATOM 910 CD1 PHE A 76 -1.956 -8.990 -0.319 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.310 -10.422 -2.184 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.606 -9.049 -0.526 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.959 -10.489 -2.384 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.105 -9.800 -1.559 1.00 0.00 C ATOM 0 H PHE A 76 -4.599 -6.841 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.822 -8.504 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.509 -9.499 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.774 -10.505 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.346 -8.404 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.976 -10.960 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.065 -8.505 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.563 -11.085 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.961 -9.849 -1.723 1.00 0.00 H new ATOM 924 N ASP A 77 -7.242 -8.951 -2.204 1.00 0.00 N ATOM 925 CA ASP A 77 -8.698 -8.959 -2.014 1.00 0.00 C ATOM 926 C ASP A 77 -9.167 -10.159 -1.213 1.00 0.00 C ATOM 927 O ASP A 77 -10.357 -10.289 -0.919 1.00 0.00 O ATOM 928 CB ASP A 77 -9.468 -8.872 -3.335 1.00 0.00 C ATOM 929 CG ASP A 77 -9.545 -10.156 -4.108 1.00 0.00 C ATOM 930 OD1 ASP A 77 -8.534 -10.790 -4.344 1.00 0.00 O ATOM 931 OD2 ASP A 77 -10.646 -10.523 -4.533 1.00 0.00 O ATOM 0 H ASP A 77 -6.924 -9.422 -3.051 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.920 -8.059 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.481 -8.530 -3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.999 -8.115 -3.963 1.00 0.00 H new ATOM 936 N ASN A 78 -8.257 -11.010 -0.818 1.00 0.00 N ATOM 937 CA ASN A 78 -8.596 -12.109 0.046 1.00 0.00 C ATOM 938 C ASN A 78 -7.596 -12.120 1.174 1.00 0.00 C ATOM 939 O ASN A 78 -6.520 -11.537 1.047 1.00 0.00 O ATOM 940 CB ASN A 78 -8.613 -13.476 -0.659 1.00 0.00 C ATOM 941 CG ASN A 78 -9.337 -14.515 0.182 1.00 0.00 C ATOM 942 OD1 ASN A 78 -8.984 -15.684 0.200 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.392 -14.099 0.850 1.00 0.00 N ATOM 0 H ASN A 78 -7.273 -10.963 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.615 -11.958 0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.102 -13.383 -1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.591 -13.804 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.939 -14.760 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.662 -13.116 0.816 1.00 0.00 H new ATOM 950 N VAL A 79 -7.960 -12.717 2.288 1.00 0.00 N ATOM 951 CA VAL A 79 -7.100 -12.780 3.454 1.00 0.00 C ATOM 952 C VAL A 79 -5.894 -13.660 3.191 1.00 0.00 C ATOM 953 O VAL A 79 -5.831 -14.356 2.174 1.00 0.00 O ATOM 954 CB VAL A 79 -7.849 -13.316 4.692 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.990 -12.400 5.065 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.362 -14.715 4.428 1.00 0.00 C ATOM 0 H VAL A 79 -8.863 -13.174 2.413 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.774 -11.760 3.656 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.151 -13.350 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.504 -12.797 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.601 -11.408 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.690 -12.333 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.889 -15.082 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.045 -14.698 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.523 -15.374 4.206 1.00 0.00 H new ATOM 966 N ASN A 80 -4.941 -13.610 4.099 1.00 0.00 N ATOM 967 CA ASN A 80 -3.712 -14.405 4.036 1.00 0.00 C ATOM 968 C ASN A 80 -2.935 -14.120 2.765 1.00 0.00 C ATOM 969 O ASN A 80 -2.189 -14.970 2.271 1.00 0.00 O ATOM 970 CB ASN A 80 -4.010 -15.917 4.152 1.00 0.00 C ATOM 971 CG ASN A 80 -4.566 -16.319 5.497 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.821 -16.509 6.462 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.846 -16.539 5.565 1.00 0.00 N ATOM 0 H ASN A 80 -4.991 -13.007 4.920 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.098 -14.112 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.720 -16.200 3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.093 -16.476 3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.260 -16.878 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.436 -16.372 4.750 1.00 0.00 H new ATOM 980 N TYR A 81 -3.073 -12.884 2.283 1.00 0.00 N ATOM 981 CA TYR A 81 -2.397 -12.377 1.094 1.00 0.00 C ATOM 982 C TYR A 81 -2.716 -13.228 -0.136 1.00 0.00 C ATOM 983 O TYR A 81 -1.856 -13.439 -1.004 1.00 0.00 O ATOM 984 CB TYR A 81 -0.876 -12.299 1.321 1.00 0.00 C ATOM 985 CG TYR A 81 -0.483 -11.631 2.622 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.410 -12.237 3.489 1.00 0.00 C ATOM 987 CD2 TYR A 81 -1.029 -10.425 2.998 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.744 -11.656 4.686 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.691 -9.839 4.188 1.00 0.00 C ATOM 990 CZ TYR A 81 0.194 -10.456 5.032 1.00 0.00 C ATOM 991 OH TYR A 81 0.523 -9.868 6.231 1.00 0.00 O ATOM 0 H TYR A 81 -3.676 -12.190 2.724 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.770 -11.370 0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.464 -13.308 1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.422 -11.754 0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.852 -13.185 3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.735 -9.934 2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.439 -12.146 5.352 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.123 -8.888 4.462 1.00 0.00 H new ATOM 0 HH TYR A 81 0.044 -9.018 6.321 1.00 0.00 H new ATOM 1001 N THR A 82 -3.946 -13.670 -0.244 1.00 0.00 N ATOM 1002 CA THR A 82 -4.329 -14.487 -1.365 1.00 0.00 C ATOM 1003 C THR A 82 -5.298 -13.736 -2.269 1.00 0.00 C ATOM 1004 O THR A 82 -5.760 -12.632 -1.923 1.00 0.00 O ATOM 1005 CB THR A 82 -4.931 -15.853 -0.923 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.074 -15.664 -0.078 1.00 0.00 O ATOM 1007 CG2 THR A 82 -3.913 -16.667 -0.171 1.00 0.00 C ATOM 0 H THR A 82 -4.691 -13.479 0.425 1.00 0.00 H new ATOM 0 HA THR A 82 -3.422 -14.707 -1.928 1.00 0.00 H new ATOM 0 HB THR A 82 -5.230 -16.380 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.781 -15.349 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.356 -17.617 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.051 -16.854 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.594 -16.120 0.716 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.584 -14.303 -3.415 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.487 -13.689 -4.336 1.00 0.00 C ATOM 1017 C GLY A 83 -5.759 -12.768 -5.277 1.00 0.00 C ATOM 1018 O GLY A 83 -4.647 -13.084 -5.733 1.00 0.00 O ATOM 0 H GLY A 83 -5.198 -15.194 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.009 -14.458 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.245 -13.129 -3.788 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.342 -11.640 -5.536 1.00 0.00 N ATOM 1023 CA ARG A 84 -5.788 -10.653 -6.432 1.00 0.00 C ATOM 1024 C ARG A 84 -4.712 -9.878 -5.708 1.00 0.00 C ATOM 1025 O ARG A 84 -4.756 -9.749 -4.482 1.00 0.00 O ATOM 1026 CB ARG A 84 -6.881 -9.697 -6.878 1.00 0.00 C ATOM 1027 CG ARG A 84 -7.997 -10.323 -7.695 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.146 -9.341 -7.832 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.278 -9.843 -8.624 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.565 -9.837 -8.208 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -11.851 -9.781 -6.903 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.553 -10.010 -9.087 1.00 0.00 N ATOM 0 H ARG A 84 -7.235 -11.366 -5.126 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.365 -11.150 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.317 -9.232 -5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.426 -8.900 -7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.626 -10.602 -8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.343 -11.238 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.503 -9.076 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.774 -8.425 -8.291 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.079 -10.222 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.097 -9.743 -6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.823 -9.777 -6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.339 -10.147 -10.075 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.523 -10.005 -8.771 1.00 0.00 H new ATOM 1046 N ILE A 85 -3.774 -9.357 -6.444 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.675 -8.642 -5.861 1.00 0.00 C ATOM 1048 C ILE A 85 -2.530 -7.276 -6.534 1.00 0.00 C ATOM 1049 O ILE A 85 -2.760 -7.134 -7.734 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.346 -9.462 -5.983 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.221 -8.798 -5.199 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -0.926 -9.605 -7.441 1.00 0.00 C ATOM 1053 CD1 ILE A 85 1.059 -9.607 -5.172 1.00 0.00 C ATOM 0 H ILE A 85 -3.748 -9.415 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.879 -8.494 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.535 -10.451 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.014 -7.820 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.555 -8.627 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.001 -10.178 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.708 -10.123 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.768 -8.617 -7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.815 -9.073 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.868 -10.575 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.417 -9.756 -6.191 1.00 0.00 H new ATOM 1065 N THR A 86 -2.270 -6.278 -5.757 1.00 0.00 N ATOM 1066 CA THR A 86 -2.007 -4.952 -6.273 1.00 0.00 C ATOM 1067 C THR A 86 -0.750 -4.384 -5.629 1.00 0.00 C ATOM 1068 O THR A 86 -0.627 -4.412 -4.413 1.00 0.00 O ATOM 1069 CB THR A 86 -3.235 -4.029 -6.084 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.324 -4.561 -6.849 1.00 0.00 O ATOM 1071 CG2 THR A 86 -2.951 -2.610 -6.543 1.00 0.00 C ATOM 0 H THR A 86 -2.231 -6.347 -4.740 1.00 0.00 H new ATOM 0 HA THR A 86 -1.829 -5.015 -7.347 1.00 0.00 H new ATOM 0 HB THR A 86 -3.479 -3.993 -5.022 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.940 -5.037 -6.254 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.838 -1.995 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.123 -2.199 -5.965 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.688 -2.616 -7.601 1.00 0.00 H new ATOM 1079 N GLY A 87 0.185 -3.929 -6.434 1.00 0.00 N ATOM 1080 CA GLY A 87 1.413 -3.383 -5.904 1.00 0.00 C ATOM 1081 C GLY A 87 1.553 -1.897 -6.140 1.00 0.00 C ATOM 1082 O GLY A 87 1.445 -1.427 -7.275 1.00 0.00 O ATOM 0 H GLY A 87 0.119 -3.926 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.459 -3.580 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.259 -3.898 -6.359 1.00 0.00 H new ATOM 1086 N LEU A 88 1.778 -1.161 -5.078 1.00 0.00 N ATOM 1087 CA LEU A 88 1.969 0.280 -5.137 1.00 0.00 C ATOM 1088 C LEU A 88 3.339 0.657 -4.641 1.00 0.00 C ATOM 1089 O LEU A 88 3.883 0.015 -3.729 1.00 0.00 O ATOM 1090 CB LEU A 88 0.872 1.044 -4.359 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.298 1.602 -5.188 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.168 2.743 -6.072 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.914 0.514 -6.035 1.00 0.00 C ATOM 0 H LEU A 88 1.835 -1.544 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 88 1.885 0.575 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.464 0.376 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.343 1.874 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.052 1.980 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.675 3.123 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.573 3.542 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.941 2.385 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.740 0.927 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.162 0.111 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.286 -0.282 -5.390 1.00 0.00 H new ATOM 1105 N GLY A 89 3.891 1.687 -5.234 1.00 0.00 N ATOM 1106 CA GLY A 89 5.204 2.126 -4.886 1.00 0.00 C ATOM 1107 C GLY A 89 5.200 3.522 -4.325 1.00 0.00 C ATOM 1108 O GLY A 89 4.187 4.233 -4.410 1.00 0.00 O ATOM 0 H GLY A 89 3.440 2.236 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.633 1.442 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.844 2.091 -5.768 1.00 0.00 H new ATOM 1112 N HIS A 90 6.324 3.910 -3.771 1.00 0.00 N ATOM 1113 CA HIS A 90 6.506 5.211 -3.144 1.00 0.00 C ATOM 1114 C HIS A 90 6.341 6.352 -4.143 1.00 0.00 C ATOM 1115 O HIS A 90 7.033 6.413 -5.165 1.00 0.00 O ATOM 1116 CB HIS A 90 7.889 5.297 -2.432 1.00 0.00 C ATOM 1117 CG HIS A 90 9.083 5.060 -3.330 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.775 6.058 -3.996 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.680 3.901 -3.681 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.741 5.481 -4.712 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.724 4.171 -4.556 1.00 0.00 N ATOM 0 H HIS A 90 7.158 3.324 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 90 5.724 5.319 -2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.986 6.282 -1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.911 4.567 -1.623 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.580 7.058 -3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.391 2.919 -3.336 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.443 6.014 -5.336 1.00 0.00 H new ATOM 1129 N GLY A 91 5.420 7.229 -3.858 1.00 0.00 N ATOM 1130 CA GLY A 91 5.201 8.371 -4.692 1.00 0.00 C ATOM 1131 C GLY A 91 4.242 8.069 -5.802 1.00 0.00 C ATOM 1132 O GLY A 91 4.208 8.764 -6.810 1.00 0.00 O ATOM 0 H GLY A 91 4.805 7.171 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.814 9.193 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.151 8.703 -5.111 1.00 0.00 H new ATOM 1136 N THR A 92 3.498 7.006 -5.652 1.00 0.00 N ATOM 1137 CA THR A 92 2.519 6.636 -6.627 1.00 0.00 C ATOM 1138 C THR A 92 1.185 6.382 -5.919 1.00 0.00 C ATOM 1139 O THR A 92 1.162 5.918 -4.762 1.00 0.00 O ATOM 1140 CB THR A 92 2.989 5.369 -7.366 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.366 5.559 -7.758 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.150 5.127 -8.617 1.00 0.00 C ATOM 0 H THR A 92 3.556 6.377 -4.851 1.00 0.00 H new ATOM 0 HA THR A 92 2.389 7.436 -7.355 1.00 0.00 H new ATOM 0 HB THR A 92 2.883 4.509 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.685 4.761 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.501 4.227 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.105 5.001 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.244 5.980 -9.289 1.00 0.00 H new ATOM 1150 N CYS A 93 0.090 6.690 -6.581 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.213 6.517 -5.984 1.00 0.00 C ATOM 1152 C CYS A 93 -2.185 5.967 -7.013 1.00 0.00 C ATOM 1153 O CYS A 93 -2.015 6.180 -8.212 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.806 7.849 -5.529 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.669 9.106 -4.783 1.00 0.00 S ATOM 0 H CYS A 93 0.078 7.061 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.079 5.844 -5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.291 8.309 -6.390 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.588 7.634 -4.800 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.182 5.266 -6.550 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.273 4.838 -7.385 1.00 0.00 C ATOM 1162 C ILE A 94 -5.332 5.874 -7.253 1.00 0.00 C ATOM 1163 O ILE A 94 -5.772 6.146 -6.135 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.878 3.519 -6.914 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.797 2.491 -6.800 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.978 3.048 -7.887 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.289 1.148 -6.304 1.00 0.00 C ATOM 0 H ILE A 94 -3.262 4.973 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.908 4.703 -8.403 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.338 3.664 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.328 2.359 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.027 2.859 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.397 2.106 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.766 3.800 -7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.550 2.905 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.452 0.452 -6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.732 1.265 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.038 0.758 -6.993 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.722 6.455 -8.335 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.743 7.498 -8.312 1.00 0.00 C ATOM 1181 C ASP A 95 -8.098 6.915 -7.992 1.00 0.00 C ATOM 1182 O ASP A 95 -8.824 7.427 -7.136 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.793 8.260 -9.624 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.478 8.890 -9.965 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.640 8.220 -10.613 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.247 10.056 -9.590 1.00 0.00 O ATOM 0 H ASP A 95 -5.359 6.238 -9.263 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.471 8.203 -7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.087 7.582 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.559 9.033 -9.564 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.437 5.832 -8.655 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.699 5.183 -8.418 1.00 0.00 C ATOM 1193 C ASP A 96 -9.510 3.722 -8.118 1.00 0.00 C ATOM 1194 O ASP A 96 -9.534 2.880 -9.025 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.638 5.257 -9.596 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.042 6.623 -10.077 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -12.148 7.077 -9.721 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.311 7.228 -10.885 1.00 0.00 O ATOM 0 H ASP A 96 -7.853 5.385 -9.362 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.130 5.718 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.174 4.731 -10.430 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.545 4.709 -9.338 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.289 3.402 -6.883 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.146 2.023 -6.478 1.00 0.00 C ATOM 1205 C PHE A 97 -10.457 1.267 -6.675 1.00 0.00 C ATOM 1206 O PHE A 97 -10.475 0.140 -7.129 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.665 1.916 -5.032 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.368 0.511 -4.618 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -7.263 -0.133 -5.120 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -9.183 -0.161 -3.737 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -6.964 -1.424 -4.757 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -8.894 -1.454 -3.367 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.782 -2.085 -3.880 1.00 0.00 C ATOM 0 H PHE A 97 -9.201 4.078 -6.124 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.387 1.564 -7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.768 2.523 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.425 2.331 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.617 0.385 -5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -10.056 0.330 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.090 -1.914 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.539 -1.974 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.555 -3.101 -3.591 1.00 0.00 H new ATOM 1223 N THR A 98 -11.546 1.954 -6.432 1.00 0.00 N ATOM 1224 CA THR A 98 -12.857 1.331 -6.442 1.00 0.00 C ATOM 1225 C THR A 98 -13.351 1.055 -7.869 1.00 0.00 C ATOM 1226 O THR A 98 -14.277 0.275 -8.075 1.00 0.00 O ATOM 1227 CB THR A 98 -13.898 2.166 -5.634 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.188 1.526 -5.629 1.00 0.00 O ATOM 1229 CG2 THR A 98 -14.031 3.570 -6.200 1.00 0.00 C ATOM 0 H THR A 98 -11.555 2.952 -6.223 1.00 0.00 H new ATOM 0 HA THR A 98 -12.751 0.367 -5.945 1.00 0.00 H new ATOM 0 HB THR A 98 -13.533 2.230 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.318 1.044 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.763 4.129 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 98 -13.066 4.075 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.359 3.514 -7.238 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.724 1.680 -8.840 1.00 0.00 N ATOM 1238 CA LYS A 99 -13.089 1.489 -10.228 1.00 0.00 C ATOM 1239 C LYS A 99 -12.194 0.401 -10.827 1.00 0.00 C ATOM 1240 O LYS A 99 -12.406 -0.048 -11.953 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.894 2.794 -10.992 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.473 4.020 -10.293 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.958 4.081 -10.250 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.408 5.315 -9.446 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.822 6.597 -9.963 1.00 0.00 N ATOM 0 H LYS A 99 -11.952 2.331 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.134 1.189 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.828 2.952 -11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.355 2.699 -11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.094 4.049 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.103 4.914 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.358 4.130 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.355 3.174 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.496 5.382 -9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.122 5.186 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.449 7.389 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.887 6.749 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.724 6.542 -10.997 1.00 0.00 H new ATOM 1259 N SER A 100 -11.183 -0.002 -10.064 1.00 0.00 N ATOM 1260 CA SER A 100 -10.260 -1.033 -10.481 1.00 0.00 C ATOM 1261 C SER A 100 -10.868 -2.429 -10.206 1.00 0.00 C ATOM 1262 O SER A 100 -12.081 -2.530 -9.932 1.00 0.00 O ATOM 1263 CB SER A 100 -8.929 -0.832 -9.744 1.00 0.00 C ATOM 1264 OG SER A 100 -8.413 0.485 -9.999 1.00 0.00 O ATOM 0 H SER A 100 -10.987 0.382 -9.140 1.00 0.00 H new ATOM 0 HA SER A 100 -10.074 -0.967 -11.553 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.074 -0.972 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.208 -1.582 -10.069 1.00 0.00 H new ATOM 0 HG SER A 100 -8.960 1.148 -9.527 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.052 -3.483 -10.307 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.526 -4.848 -10.116 1.00 0.00 C ATOM 1272 C GLY A 101 -11.231 -5.051 -8.798 1.00 0.00 C ATOM 1273 O GLY A 101 -12.457 -5.247 -8.757 1.00 0.00 O ATOM 0 H GLY A 101 -9.057 -3.411 -10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.205 -5.107 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.680 -5.532 -10.178 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.496 -5.001 -7.729 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.091 -5.164 -6.436 1.00 0.00 C ATOM 1279 C PHE A 102 -11.064 -3.872 -5.685 1.00 0.00 C ATOM 1280 O PHE A 102 -10.157 -3.073 -5.868 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.434 -6.295 -5.633 1.00 0.00 C ATOM 1282 CG PHE A 102 -8.973 -6.113 -5.286 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -7.988 -6.410 -6.202 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.593 -5.693 -4.020 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -6.660 -6.295 -5.874 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.259 -5.572 -3.695 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.294 -5.874 -4.621 1.00 0.00 C ATOM 0 H PHE A 102 -9.487 -4.849 -7.725 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.131 -5.455 -6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -10.992 -6.424 -4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.538 -7.221 -6.199 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.265 -6.738 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.348 -5.459 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -5.902 -6.537 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.973 -5.238 -2.708 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.249 -5.781 -4.365 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.074 -3.644 -4.886 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.102 -2.460 -4.059 1.00 0.00 C ATOM 1299 C LYS A 103 -12.009 -2.872 -2.591 1.00 0.00 C ATOM 1300 O LYS A 103 -11.809 -2.051 -1.725 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.376 -1.586 -4.309 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.648 -2.000 -3.548 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.099 -3.406 -3.869 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.198 -3.850 -2.932 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.623 -5.245 -3.190 1.00 0.00 N ATOM 0 H LYS A 103 -12.884 -4.256 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.246 -1.840 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.140 -0.555 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.596 -1.600 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.466 -1.919 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.451 -1.303 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.454 -3.452 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.253 -4.089 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.853 -3.762 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.055 -3.185 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.378 -5.507 -2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.977 -5.325 -4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.812 -5.884 -3.063 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.165 -4.166 -2.337 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.176 -4.656 -0.983 1.00 0.00 C ATOM 1321 C GLY A 104 -10.912 -5.384 -0.626 1.00 0.00 C ATOM 1322 O GLY A 104 -10.710 -6.533 -1.038 1.00 0.00 O ATOM 0 H GLY A 104 -12.284 -4.883 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.316 -3.820 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.027 -5.324 -0.848 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.070 -4.734 0.134 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.813 -5.311 0.550 1.00 0.00 C ATOM 1328 C ILE A 105 -9.016 -6.056 1.817 1.00 0.00 C ATOM 1329 O ILE A 105 -9.412 -5.514 2.846 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.743 -4.204 0.733 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.570 -3.449 -0.568 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.412 -4.792 1.168 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.811 -2.161 -0.422 1.00 0.00 C ATOM 0 H ILE A 105 -10.234 -3.790 0.483 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.457 -5.998 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.083 -3.523 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.050 -4.088 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.553 -3.236 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.682 -3.991 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.537 -5.314 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.060 -5.494 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.727 -1.676 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.340 -1.503 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.814 -2.368 -0.032 1.00 0.00 H new ATOM 1345 N SER A 106 -8.815 -7.297 1.677 1.00 0.00 N ATOM 1346 CA SER A 106 -8.885 -8.255 2.688 1.00 0.00 C ATOM 1347 C SER A 106 -7.578 -8.421 3.482 1.00 0.00 C ATOM 1348 O SER A 106 -7.598 -8.878 4.619 1.00 0.00 O ATOM 1349 CB SER A 106 -9.327 -9.508 2.061 1.00 0.00 C ATOM 1350 OG SER A 106 -10.677 -9.455 1.647 1.00 0.00 O ATOM 0 H SER A 106 -8.576 -7.704 0.772 1.00 0.00 H new ATOM 0 HA SER A 106 -9.598 -7.929 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.694 -9.724 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.198 -10.329 2.766 1.00 0.00 H new ATOM 0 HG SER A 106 -10.739 -9.703 0.701 1.00 0.00 H new ATOM 1356 N SER A 107 -6.444 -8.132 2.856 1.00 0.00 N ATOM 1357 CA SER A 107 -5.161 -8.237 3.531 1.00 0.00 C ATOM 1358 C SER A 107 -4.122 -7.350 2.830 1.00 0.00 C ATOM 1359 O SER A 107 -4.274 -7.041 1.645 1.00 0.00 O ATOM 1360 CB SER A 107 -4.701 -9.712 3.623 1.00 0.00 C ATOM 1361 OG SER A 107 -4.540 -10.321 2.357 1.00 0.00 O ATOM 0 H SER A 107 -6.389 -7.824 1.885 1.00 0.00 H new ATOM 0 HA SER A 107 -5.269 -7.877 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.757 -9.759 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.430 -10.279 4.202 1.00 0.00 H new ATOM 0 HG SER A 107 -5.416 -10.591 2.010 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.091 -6.937 3.553 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.086 -6.010 3.029 1.00 0.00 C ATOM 1369 C ILE A 108 -0.700 -6.508 3.402 1.00 0.00 C ATOM 1370 O ILE A 108 -0.457 -6.804 4.557 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.249 -4.581 3.636 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.670 -4.064 3.449 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.248 -3.624 3.019 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.874 -2.681 3.986 1.00 0.00 C ATOM 0 H ILE A 108 -2.924 -7.231 4.515 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.218 -5.960 1.948 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.053 -4.645 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.916 -4.074 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.364 -4.744 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.376 -2.633 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.236 -3.979 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.411 -3.572 1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.907 -2.375 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.660 -2.670 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.204 -1.990 3.475 1.00 0.00 H new ATOM 1386 N LYS A 109 0.203 -6.565 2.453 1.00 0.00 N ATOM 1387 CA LYS A 109 1.551 -7.031 2.721 1.00 0.00 C ATOM 1388 C LYS A 109 2.528 -5.896 2.445 1.00 0.00 C ATOM 1389 O LYS A 109 2.420 -5.217 1.422 1.00 0.00 O ATOM 1390 CB LYS A 109 1.903 -8.255 1.854 1.00 0.00 C ATOM 1391 CG LYS A 109 3.199 -8.958 2.271 1.00 0.00 C ATOM 1392 CD LYS A 109 3.604 -10.088 1.316 1.00 0.00 C ATOM 1393 CE LYS A 109 2.533 -11.149 1.158 1.00 0.00 C ATOM 1394 NZ LYS A 109 2.949 -12.231 0.239 1.00 0.00 N ATOM 0 H LYS A 109 0.033 -6.295 1.484 1.00 0.00 H new ATOM 0 HA LYS A 109 1.617 -7.337 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.082 -8.970 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.991 -7.939 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.004 -8.225 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.078 -9.365 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.833 -9.664 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.518 -10.555 1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.298 -11.574 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.619 -10.688 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.186 -12.933 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.148 -11.831 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.806 -12.690 0.609 1.00 0.00 H new ATOM 1408 N ARG A 110 3.453 -5.675 3.352 1.00 0.00 N ATOM 1409 CA ARG A 110 4.409 -4.603 3.196 1.00 0.00 C ATOM 1410 C ARG A 110 5.729 -5.169 2.690 1.00 0.00 C ATOM 1411 O ARG A 110 6.250 -6.156 3.237 1.00 0.00 O ATOM 1412 CB ARG A 110 4.632 -3.852 4.514 1.00 0.00 C ATOM 1413 CG ARG A 110 5.409 -2.549 4.350 1.00 0.00 C ATOM 1414 CD ARG A 110 5.745 -1.903 5.690 1.00 0.00 C ATOM 1415 NE ARG A 110 6.818 -2.604 6.394 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.255 -2.313 7.624 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.549 -1.521 8.428 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.375 -2.864 8.071 1.00 0.00 N ATOM 0 H ARG A 110 3.563 -6.223 4.205 1.00 0.00 H new ATOM 0 HA ARG A 110 4.010 -3.892 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.665 -3.634 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.169 -4.501 5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.331 -2.745 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.823 -1.852 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.038 -0.866 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.853 -1.887 6.316 1.00 0.00 H new ATOM 0 HE ARG A 110 7.270 -3.378 5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.664 -1.128 8.108 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.893 -1.307 9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.899 -3.507 7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.712 -2.645 9.008 1.00 0.00 H new ATOM 1432 N CYS A 111 6.242 -4.572 1.665 1.00 0.00 N ATOM 1433 CA CYS A 111 7.452 -4.995 1.048 1.00 0.00 C ATOM 1434 C CYS A 111 8.386 -3.800 0.882 1.00 0.00 C ATOM 1435 O CYS A 111 8.028 -2.670 1.215 1.00 0.00 O ATOM 1436 CB CYS A 111 7.130 -5.639 -0.298 1.00 0.00 C ATOM 1437 SG CYS A 111 5.951 -7.037 -0.204 1.00 0.00 S ATOM 0 H CYS A 111 5.819 -3.756 1.223 1.00 0.00 H new ATOM 0 HA CYS A 111 7.956 -5.733 1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.721 -4.878 -0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 111 8.057 -5.991 -0.750 1.00 0.00 H new ATOM 1442 N ILE A 112 9.580 -4.056 0.465 1.00 0.00 N ATOM 1443 CA ILE A 112 10.560 -3.038 0.209 1.00 0.00 C ATOM 1444 C ILE A 112 11.187 -3.288 -1.147 1.00 0.00 C ATOM 1445 O ILE A 112 11.381 -4.432 -1.542 1.00 0.00 O ATOM 1446 CB ILE A 112 11.668 -3.017 1.283 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.148 -4.439 1.571 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.185 -2.332 2.557 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.474 -4.501 2.257 1.00 0.00 C ATOM 0 H ILE A 112 9.917 -5.002 0.286 1.00 0.00 H new ATOM 0 HA ILE A 112 10.055 -2.072 0.233 1.00 0.00 H new ATOM 0 HB ILE A 112 12.509 -2.439 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.406 -4.945 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.209 -4.989 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.986 -2.332 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.899 -1.305 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.324 -2.869 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.747 -5.542 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.230 -4.025 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.414 -3.981 3.213 1.00 0.00 H new ATOM 1461 N GLN A 113 11.485 -2.253 -1.853 1.00 0.00 N ATOM 1462 CA GLN A 113 12.055 -2.389 -3.154 1.00 0.00 C ATOM 1463 C GLN A 113 13.465 -1.856 -3.152 1.00 0.00 C ATOM 1464 O GLN A 113 13.711 -0.685 -2.835 1.00 0.00 O ATOM 1465 CB GLN A 113 11.195 -1.730 -4.226 1.00 0.00 C ATOM 1466 CG GLN A 113 11.683 -2.014 -5.637 1.00 0.00 C ATOM 1467 CD GLN A 113 10.727 -1.543 -6.705 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.008 -0.560 -6.541 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.687 -2.255 -7.791 1.00 0.00 N ATOM 0 H GLN A 113 11.342 -1.290 -1.549 1.00 0.00 H new ATOM 0 HA GLN A 113 12.089 -3.449 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.168 -2.080 -4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.182 -0.652 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.649 -1.530 -5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.843 -3.086 -5.750 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.299 -3.065 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.044 -2.004 -8.542 1.00 0.00 H new ATOM 1478 N THR A 114 14.361 -2.721 -3.494 1.00 0.00 N ATOM 1479 CA THR A 114 15.784 -2.478 -3.454 1.00 0.00 C ATOM 1480 C THR A 114 16.259 -1.609 -4.636 1.00 0.00 C ATOM 1481 O THR A 114 15.462 -1.209 -5.511 1.00 0.00 O ATOM 1482 CB THR A 114 16.491 -3.833 -3.564 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.086 -4.443 -4.805 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.087 -4.761 -2.429 1.00 0.00 C ATOM 0 H THR A 114 14.123 -3.657 -3.824 1.00 0.00 H new ATOM 0 HA THR A 114 16.015 -1.954 -2.526 1.00 0.00 H new ATOM 0 HB THR A 114 17.568 -3.673 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.171 -4.783 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.606 -5.714 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.355 -4.307 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.010 -4.928 -2.462 1.00 0.00 H new ATOM 1492 N LYS A 115 17.562 -1.342 -4.668 1.00 0.00 N ATOM 1493 CA LYS A 115 18.205 -0.667 -5.786 1.00 0.00 C ATOM 1494 C LYS A 115 18.151 -1.561 -7.035 1.00 0.00 C ATOM 1495 O LYS A 115 18.022 -1.068 -8.154 1.00 0.00 O ATOM 1496 CB LYS A 115 19.660 -0.306 -5.418 1.00 0.00 C ATOM 1497 CG LYS A 115 20.520 0.254 -6.553 1.00 0.00 C ATOM 1498 CD LYS A 115 19.967 1.541 -7.158 1.00 0.00 C ATOM 1499 CE LYS A 115 20.878 2.007 -8.284 1.00 0.00 C ATOM 1500 NZ LYS A 115 20.377 3.203 -8.995 1.00 0.00 N ATOM 0 H LYS A 115 18.203 -1.590 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 115 17.674 0.259 -6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.639 0.425 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.147 -1.199 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 115 21.526 0.441 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.608 -0.498 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.959 1.373 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.894 2.313 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 115 21.865 2.225 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 115 21.002 1.194 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 21.045 3.465 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.448 2.994 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 20.285 3.992 -8.324 1.00 0.00 H new ATOM 1514 N ASP A 116 18.174 -2.883 -6.831 1.00 0.00 N ATOM 1515 CA ASP A 116 18.126 -3.830 -7.959 1.00 0.00 C ATOM 1516 C ASP A 116 16.699 -3.931 -8.504 1.00 0.00 C ATOM 1517 O ASP A 116 16.447 -4.492 -9.566 1.00 0.00 O ATOM 1518 CB ASP A 116 18.619 -5.216 -7.496 1.00 0.00 C ATOM 1519 CG ASP A 116 18.624 -6.267 -8.593 1.00 0.00 C ATOM 1520 OD1 ASP A 116 17.718 -7.136 -8.614 1.00 0.00 O ATOM 1521 OD2 ASP A 116 19.542 -6.249 -9.443 1.00 0.00 O ATOM 0 H ASP A 116 18.225 -3.320 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 116 18.777 -3.469 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.629 -5.117 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 116 17.986 -5.561 -6.679 1.00 0.00 H new ATOM 1526 N GLY A 117 15.774 -3.332 -7.788 1.00 0.00 N ATOM 1527 CA GLY A 117 14.410 -3.280 -8.231 1.00 0.00 C ATOM 1528 C GLY A 117 13.612 -4.451 -7.748 1.00 0.00 C ATOM 1529 O GLY A 117 12.395 -4.508 -7.957 1.00 0.00 O ATOM 0 H GLY A 117 15.948 -2.874 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.950 -2.358 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.385 -3.250 -9.320 1.00 0.00 H new ATOM 1533 N LYS A 118 14.278 -5.376 -7.088 1.00 0.00 N ATOM 1534 CA LYS A 118 13.618 -6.542 -6.580 1.00 0.00 C ATOM 1535 C LYS A 118 12.844 -6.136 -5.342 1.00 0.00 C ATOM 1536 O LYS A 118 13.347 -5.335 -4.513 1.00 0.00 O ATOM 1537 CB LYS A 118 14.632 -7.685 -6.299 1.00 0.00 C ATOM 1538 CG LYS A 118 15.535 -7.500 -5.092 1.00 0.00 C ATOM 1539 CD LYS A 118 16.730 -8.471 -5.083 1.00 0.00 C ATOM 1540 CE LYS A 118 16.364 -9.943 -5.373 1.00 0.00 C ATOM 1541 NZ LYS A 118 15.619 -10.596 -4.286 1.00 0.00 N ATOM 0 H LYS A 118 15.279 -5.335 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 118 12.924 -6.940 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.075 -8.613 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.260 -7.810 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 118 15.906 -6.475 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.951 -7.642 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.457 -8.138 -5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.218 -8.417 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.769 -9.987 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 118 17.279 -10.504 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 15.571 -11.619 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 16.103 -10.425 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 14.656 -10.206 -4.242 1.00 0.00 H new ATOM 1555 N VAL A 119 11.628 -6.592 -5.248 1.00 0.00 N ATOM 1556 CA VAL A 119 10.788 -6.231 -4.143 1.00 0.00 C ATOM 1557 C VAL A 119 10.790 -7.367 -3.149 1.00 0.00 C ATOM 1558 O VAL A 119 10.242 -8.445 -3.415 1.00 0.00 O ATOM 1559 CB VAL A 119 9.326 -5.926 -4.597 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.499 -5.397 -3.445 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.297 -4.938 -5.748 1.00 0.00 C ATOM 0 H VAL A 119 11.195 -7.218 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 119 11.181 -5.321 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 119 8.893 -6.866 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.485 -5.193 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.469 -6.139 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.946 -4.477 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.264 -4.748 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.764 -4.003 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.843 -5.351 -6.596 1.00 0.00 H new ATOM 1571 N GLU A 120 11.390 -7.119 -2.027 1.00 0.00 N ATOM 1572 CA GLU A 120 11.531 -8.090 -0.984 1.00 0.00 C ATOM 1573 C GLU A 120 10.419 -7.848 -0.002 1.00 0.00 C ATOM 1574 O GLU A 120 10.001 -6.710 0.170 1.00 0.00 O ATOM 1575 CB GLU A 120 12.889 -7.911 -0.291 1.00 0.00 C ATOM 1576 CG GLU A 120 14.082 -7.902 -1.244 1.00 0.00 C ATOM 1577 CD GLU A 120 14.176 -9.147 -2.061 1.00 0.00 C ATOM 1578 OE1 GLU A 120 14.781 -10.123 -1.608 1.00 0.00 O ATOM 1579 OE2 GLU A 120 13.684 -9.173 -3.197 1.00 0.00 O ATOM 0 H GLU A 120 11.806 -6.215 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 120 11.482 -9.103 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.878 -6.976 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.023 -8.714 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.005 -7.041 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.000 -7.779 -0.669 1.00 0.00 H new ATOM 1586 N CYS A 121 9.954 -8.855 0.650 1.00 0.00 N ATOM 1587 CA CYS A 121 8.828 -8.686 1.536 1.00 0.00 C ATOM 1588 C CYS A 121 9.117 -9.284 2.885 1.00 0.00 C ATOM 1589 O CYS A 121 10.134 -9.957 3.066 1.00 0.00 O ATOM 1590 CB CYS A 121 7.576 -9.335 0.930 1.00 0.00 C ATOM 1591 SG CYS A 121 7.072 -8.653 -0.688 1.00 0.00 S ATOM 0 H CYS A 121 10.324 -9.804 0.596 1.00 0.00 H new ATOM 0 HA CYS A 121 8.649 -7.618 1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.755 -10.404 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.749 -9.222 1.631 1.00 0.00 H new