USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=28 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 26 CYS SG : rot -50:sc= -1.9! USER MOD Set 1.2: A 28 GLN : amide:sc= 0.987 K(o=0.35,f=-1.3) USER MOD Set 1.3: A 30 TYR OH : rot -142:sc= 1.27 USER MOD Single : A 25 TYR OH : rot 22:sc= 0.768 USER MOD Single : A 33 THR OG1 : rot 88:sc= 1.67 USER MOD Single : A 34 TYR OH : rot 180: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 -128:sc= 0.835 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0507 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 53:sc= 0.306 USER MOD Single : A 57 SER OG : rot -62:sc= 1.22 USER MOD Single : A 64 ASN : amide:sc= 0.0854 K(o=0.085,f=-4.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.116 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 -87:sc= 0.00974 USER MOD Single : A 78 ASN : amide:sc= -0.64 K(o=-0.64,f=-1.3) USER MOD Single : A 80 ASN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0452 USER MOD Single : A 82 THR OG1 : rot -64:sc= 0.969 USER MOD Single : A 86 THR OG1 : rot 98:sc= 1.31 USER MOD Single : A 90 HIS : no HE2:sc= -0.483 K(o=-0.48,f=-2.5!) 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+ 158:sc= 0.836 (180deg=0.185) USER MOD Single : A 100 SER OG : rot 70:sc= 0.212 USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0148) USER MOD Single : A 106 SER OG : rot 170:sc= -0.118 USER MOD Single : A 107 SER OG : rot -90:sc= 1.36 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.793 K(o=0.79,f=-0.34) USER MOD Single : A 114 THR OG1 : rot 161:sc= -0.725 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 6.838 5.748 5.220 1.00 0.00 N ATOM 76 CA TYR A 25 6.727 4.308 5.117 1.00 0.00 C ATOM 77 C TYR A 25 5.432 3.850 5.701 1.00 0.00 C ATOM 78 O TYR A 25 5.370 3.240 6.776 1.00 0.00 O ATOM 79 CB TYR A 25 7.936 3.582 5.742 1.00 0.00 C ATOM 80 CG TYR A 25 9.231 3.703 4.944 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.891 2.577 4.496 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.776 4.938 4.630 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.057 2.673 3.773 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.928 5.059 3.907 1.00 0.00 C ATOM 85 CZ TYR A 25 11.578 3.921 3.478 1.00 0.00 C ATOM 86 OH TYR A 25 12.754 4.034 2.768 1.00 0.00 O ATOM 0 HA TYR A 25 6.736 4.044 4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.103 3.978 6.743 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.691 2.526 5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.484 1.601 4.717 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.274 5.833 4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.563 1.780 3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.326 6.036 3.674 1.00 0.00 H new ATOM 0 HH TYR A 25 12.908 3.212 2.258 1.00 0.00 H new ATOM 96 N CYS A 26 4.402 4.206 5.017 1.00 0.00 N ATOM 97 CA CYS A 26 3.069 3.909 5.397 1.00 0.00 C ATOM 98 C CYS A 26 2.240 3.647 4.178 1.00 0.00 C ATOM 99 O CYS A 26 2.633 3.995 3.075 1.00 0.00 O ATOM 100 CB CYS A 26 2.478 5.078 6.176 1.00 0.00 C ATOM 101 SG CYS A 26 2.796 6.710 5.449 1.00 0.00 S ATOM 0 H CYS A 26 4.469 4.732 4.145 1.00 0.00 H new ATOM 0 HA CYS A 26 3.070 3.021 6.029 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.400 4.935 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.879 5.062 7.189 1.00 0.00 H new ATOM 0 HG CYS A 26 4.064 6.829 5.189 1.00 0.00 H new ATOM 106 N LEU A 27 1.151 2.994 4.373 1.00 0.00 N ATOM 107 CA LEU A 27 0.189 2.775 3.350 1.00 0.00 C ATOM 108 C LEU A 27 -1.025 3.567 3.724 1.00 0.00 C ATOM 109 O LEU A 27 -1.582 3.368 4.809 1.00 0.00 O ATOM 110 CB LEU A 27 -0.143 1.292 3.260 1.00 0.00 C ATOM 111 CG LEU A 27 -1.151 0.864 2.213 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.709 1.256 0.823 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.358 -0.603 2.290 1.00 0.00 C ATOM 0 H LEU A 27 0.896 2.586 5.272 1.00 0.00 H new ATOM 0 HA LEU A 27 0.566 3.086 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.785 0.750 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.512 0.970 4.234 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.091 1.377 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.457 0.933 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.596 2.339 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.245 0.780 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.083 -0.908 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.412 -1.114 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.731 -0.866 3.280 1.00 0.00 H new ATOM 125 N GLN A 28 -1.396 4.502 2.901 1.00 0.00 N ATOM 126 CA GLN A 28 -2.539 5.309 3.204 1.00 0.00 C ATOM 127 C GLN A 28 -3.657 4.952 2.272 1.00 0.00 C ATOM 128 O GLN A 28 -3.505 4.994 1.035 1.00 0.00 O ATOM 129 CB GLN A 28 -2.169 6.776 3.040 1.00 0.00 C ATOM 130 CG GLN A 28 -1.074 7.230 3.984 1.00 0.00 C ATOM 131 CD GLN A 28 -0.484 8.581 3.592 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.153 9.420 2.998 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.764 8.804 3.919 1.00 0.00 N ATOM 0 H GLN A 28 -0.928 4.723 2.022 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.861 5.132 4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.848 6.949 2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.056 7.387 3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.475 7.293 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.281 6.482 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.297 8.089 4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.203 9.693 3.680 1.00 0.00 H new ATOM 142 N LEU A 29 -4.768 4.583 2.845 1.00 0.00 N ATOM 143 CA LEU A 29 -5.932 4.273 2.083 1.00 0.00 C ATOM 144 C LEU A 29 -6.976 5.334 2.299 1.00 0.00 C ATOM 145 O LEU A 29 -7.390 5.580 3.441 1.00 0.00 O ATOM 146 CB LEU A 29 -6.455 2.871 2.377 1.00 0.00 C ATOM 147 CG LEU A 29 -5.415 1.742 2.223 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.866 1.278 3.556 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.971 0.590 1.446 1.00 0.00 C ATOM 0 H LEU A 29 -4.886 4.490 3.854 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.665 4.269 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.843 2.850 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.294 2.665 1.712 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.581 2.162 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.138 0.483 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.383 2.114 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.681 0.902 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.213 -0.188 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.843 0.189 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.263 0.929 0.452 1.00 0.00 H new ATOM 161 N TYR A 30 -7.388 5.955 1.236 1.00 0.00 N ATOM 162 CA TYR A 30 -8.315 7.059 1.290 1.00 0.00 C ATOM 163 C TYR A 30 -9.732 6.603 1.129 1.00 0.00 C ATOM 164 O TYR A 30 -9.988 5.547 0.550 1.00 0.00 O ATOM 165 CB TYR A 30 -7.984 8.070 0.218 1.00 0.00 C ATOM 166 CG TYR A 30 -6.705 8.806 0.453 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.709 9.990 1.159 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.497 8.336 -0.045 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.554 10.698 1.357 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.330 9.036 0.161 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.369 10.221 0.860 1.00 0.00 C ATOM 172 OH TYR A 30 -3.221 10.955 1.028 1.00 0.00 O ATOM 0 H TYR A 30 -7.090 5.711 0.292 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.218 7.520 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.927 7.560 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.799 8.791 0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.638 10.365 1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.473 7.410 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.577 11.629 1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.393 8.659 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.668 10.886 0.222 1.00 0.00 H new ATOM 182 N ASP A 31 -10.657 7.404 1.609 1.00 0.00 N ATOM 183 CA ASP A 31 -12.068 7.061 1.520 1.00 0.00 C ATOM 184 C ASP A 31 -12.612 7.392 0.168 1.00 0.00 C ATOM 185 O ASP A 31 -13.454 6.683 -0.359 1.00 0.00 O ATOM 186 CB ASP A 31 -12.917 7.740 2.599 1.00 0.00 C ATOM 187 CG ASP A 31 -12.691 7.184 3.976 1.00 0.00 C ATOM 188 OD1 ASP A 31 -11.908 7.774 4.745 1.00 0.00 O ATOM 189 OD2 ASP A 31 -13.312 6.148 4.322 1.00 0.00 O ATOM 0 H ASP A 31 -10.464 8.296 2.065 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.130 5.985 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.696 8.807 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.971 7.634 2.341 1.00 0.00 H new ATOM 194 N GLU A 32 -12.129 8.455 -0.407 1.00 0.00 N ATOM 195 CA GLU A 32 -12.562 8.839 -1.715 1.00 0.00 C ATOM 196 C GLU A 32 -11.459 8.580 -2.683 1.00 0.00 C ATOM 197 O GLU A 32 -10.372 8.119 -2.298 1.00 0.00 O ATOM 198 CB GLU A 32 -12.967 10.300 -1.796 1.00 0.00 C ATOM 199 CG GLU A 32 -14.125 10.702 -0.921 1.00 0.00 C ATOM 200 CD GLU A 32 -14.589 12.084 -1.259 1.00 0.00 C ATOM 201 OE1 GLU A 32 -13.953 13.060 -0.845 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.607 12.225 -1.983 1.00 0.00 O ATOM 0 H GLU A 32 -11.433 9.072 0.012 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.445 8.247 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.105 10.913 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.219 10.532 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.946 9.996 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.828 10.659 0.127 1.00 0.00 H new ATOM 209 N THR A 33 -11.720 8.844 -3.916 1.00 0.00 N ATOM 210 CA THR A 33 -10.774 8.672 -4.935 1.00 0.00 C ATOM 211 C THR A 33 -9.821 9.874 -4.987 1.00 0.00 C ATOM 212 O THR A 33 -10.026 10.869 -4.256 1.00 0.00 O ATOM 213 CB THR A 33 -11.531 8.490 -6.247 1.00 0.00 C ATOM 214 OG1 THR A 33 -12.640 9.408 -6.258 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.068 7.085 -6.347 1.00 0.00 C ATOM 0 H THR A 33 -12.622 9.193 -4.240 1.00 0.00 H new ATOM 0 HA THR A 33 -10.158 7.792 -4.749 1.00 0.00 H new ATOM 0 HB THR A 33 -10.859 8.677 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.349 10.269 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.606 6.967 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.241 6.376 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.746 6.894 -5.515 1.00 0.00 H new ATOM 223 N TYR A 34 -8.766 9.761 -5.810 1.00 0.00 N ATOM 224 CA TYR A 34 -7.767 10.826 -6.058 1.00 0.00 C ATOM 225 C TYR A 34 -7.231 11.505 -4.774 1.00 0.00 C ATOM 226 O TYR A 34 -7.011 12.713 -4.742 1.00 0.00 O ATOM 227 CB TYR A 34 -8.232 11.840 -7.172 1.00 0.00 C ATOM 228 CG TYR A 34 -9.631 12.412 -7.018 1.00 0.00 C ATOM 229 CD1 TYR A 34 -10.732 11.709 -7.477 1.00 0.00 C ATOM 230 CD2 TYR A 34 -9.850 13.625 -6.398 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.004 12.189 -7.317 1.00 0.00 C ATOM 232 CE2 TYR A 34 -11.128 14.123 -6.239 1.00 0.00 C ATOM 233 CZ TYR A 34 -12.201 13.397 -6.697 1.00 0.00 C ATOM 234 OH TYR A 34 -13.484 13.881 -6.528 1.00 0.00 O ATOM 0 H TYR A 34 -8.575 8.908 -6.336 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.893 10.317 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.524 12.669 -7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.171 11.339 -8.138 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.584 10.761 -7.972 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.008 14.194 -6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.848 11.620 -7.677 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.283 15.077 -5.758 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.449 14.747 -6.071 1.00 0.00 H new ATOM 244 N GLU A 35 -7.022 10.681 -3.728 1.00 0.00 N ATOM 245 CA GLU A 35 -6.486 11.085 -2.406 1.00 0.00 C ATOM 246 C GLU A 35 -7.399 12.032 -1.610 1.00 0.00 C ATOM 247 O GLU A 35 -6.936 12.726 -0.693 1.00 0.00 O ATOM 248 CB GLU A 35 -5.053 11.661 -2.472 1.00 0.00 C ATOM 249 CG GLU A 35 -3.967 10.656 -2.832 1.00 0.00 C ATOM 250 CD GLU A 35 -2.579 11.186 -2.522 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.072 10.963 -1.393 1.00 0.00 O ATOM 252 OE2 GLU A 35 -1.977 11.861 -3.390 1.00 0.00 O ATOM 0 H GLU A 35 -7.227 9.683 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.449 10.143 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.036 12.468 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.811 12.103 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.133 9.730 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.034 10.413 -3.893 1.00 0.00 H new ATOM 259 N ARG A 36 -8.673 12.035 -1.909 1.00 0.00 N ATOM 260 CA ARG A 36 -9.623 12.811 -1.152 1.00 0.00 C ATOM 261 C ARG A 36 -10.257 11.984 -0.034 1.00 0.00 C ATOM 262 O ARG A 36 -10.057 10.760 0.056 1.00 0.00 O ATOM 263 CB ARG A 36 -10.680 13.379 -2.070 1.00 0.00 C ATOM 264 CG ARG A 36 -10.362 14.730 -2.725 1.00 0.00 C ATOM 265 CD ARG A 36 -8.938 14.883 -3.273 1.00 0.00 C ATOM 266 NE ARG A 36 -7.973 15.408 -2.273 1.00 0.00 N ATOM 267 CZ ARG A 36 -6.643 15.526 -2.486 1.00 0.00 C ATOM 268 NH1 ARG A 36 -6.073 14.928 -3.525 1.00 0.00 N ATOM 269 NH2 ARG A 36 -5.885 16.197 -1.628 1.00 0.00 N ATOM 0 H ARG A 36 -9.080 11.503 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.089 13.636 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.872 12.653 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.605 13.484 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.065 14.892 -3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.537 15.518 -1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.588 13.914 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.958 15.552 -4.133 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.338 15.699 -1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.639 14.375 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.069 15.021 -3.680 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.305 16.626 -0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.882 16.283 -1.793 1.00 0.00 H new ATOM 283 N GLY A 37 -11.038 12.645 0.789 1.00 0.00 N ATOM 284 CA GLY A 37 -11.613 12.029 1.939 1.00 0.00 C ATOM 285 C GLY A 37 -10.586 11.984 3.032 1.00 0.00 C ATOM 286 O GLY A 37 -9.680 12.840 3.075 1.00 0.00 O ATOM 0 H GLY A 37 -11.287 13.627 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.489 12.588 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.951 11.021 1.697 1.00 0.00 H new ATOM 290 N SER A 38 -10.697 11.040 3.905 1.00 0.00 N ATOM 291 CA SER A 38 -9.691 10.847 4.893 1.00 0.00 C ATOM 292 C SER A 38 -8.942 9.574 4.553 1.00 0.00 C ATOM 293 O SER A 38 -9.269 8.910 3.561 1.00 0.00 O ATOM 294 CB SER A 38 -10.300 10.782 6.282 1.00 0.00 C ATOM 295 OG SER A 38 -11.031 11.976 6.580 1.00 0.00 O ATOM 0 H SER A 38 -11.479 10.387 3.954 1.00 0.00 H new ATOM 0 HA SER A 38 -8.999 11.689 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.962 9.919 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.512 10.640 7.022 1.00 0.00 H new ATOM 0 HG SER A 38 -11.415 11.909 7.479 1.00 0.00 H new ATOM 301 N TYR A 39 -7.961 9.246 5.329 1.00 0.00 N ATOM 302 CA TYR A 39 -7.154 8.098 5.086 1.00 0.00 C ATOM 303 C TYR A 39 -6.771 7.452 6.383 1.00 0.00 C ATOM 304 O TYR A 39 -6.998 8.008 7.466 1.00 0.00 O ATOM 305 CB TYR A 39 -5.906 8.448 4.254 1.00 0.00 C ATOM 306 CG TYR A 39 -4.978 9.467 4.873 1.00 0.00 C ATOM 307 CD1 TYR A 39 -3.809 9.075 5.498 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.265 10.820 4.811 1.00 0.00 C ATOM 309 CE1 TYR A 39 -2.953 9.997 6.042 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.424 11.750 5.356 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.264 11.340 5.973 1.00 0.00 C ATOM 312 OH TYR A 39 -2.392 12.275 6.503 1.00 0.00 O ATOM 0 H TYR A 39 -7.695 9.775 6.160 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.741 7.389 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.343 7.532 4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.231 8.821 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.566 8.024 5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.171 11.147 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.041 9.675 6.522 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.669 12.801 5.303 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.758 13.175 6.372 1.00 0.00 H new ATOM 322 N ILE A 40 -6.275 6.279 6.283 1.00 0.00 N ATOM 323 CA ILE A 40 -5.792 5.544 7.412 1.00 0.00 C ATOM 324 C ILE A 40 -4.291 5.380 7.225 1.00 0.00 C ATOM 325 O ILE A 40 -3.809 5.413 6.084 1.00 0.00 O ATOM 326 CB ILE A 40 -6.463 4.136 7.488 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.061 3.397 8.783 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.097 3.314 6.253 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.710 2.042 8.964 1.00 0.00 C ATOM 0 H ILE A 40 -6.186 5.781 5.397 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.027 6.074 8.335 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.545 4.270 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.978 3.271 8.792 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.316 4.024 9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.570 2.334 6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.445 3.828 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.015 3.193 6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.369 1.597 9.899 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.793 2.158 8.991 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.435 1.393 8.133 1.00 0.00 H new ATOM 341 N GLU A 41 -3.565 5.250 8.294 1.00 0.00 N ATOM 342 CA GLU A 41 -2.164 5.016 8.198 1.00 0.00 C ATOM 343 C GLU A 41 -1.908 3.581 8.570 1.00 0.00 C ATOM 344 O GLU A 41 -2.338 3.107 9.621 1.00 0.00 O ATOM 345 CB GLU A 41 -1.414 5.943 9.141 1.00 0.00 C ATOM 346 CG GLU A 41 -1.546 7.408 8.787 1.00 0.00 C ATOM 347 CD GLU A 41 -1.023 8.311 9.860 1.00 0.00 C ATOM 348 OE1 GLU A 41 0.206 8.537 9.920 1.00 0.00 O ATOM 349 OE2 GLU A 41 -1.842 8.845 10.655 1.00 0.00 O ATOM 0 H GLU A 41 -3.926 5.303 9.246 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.816 5.211 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.781 5.789 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.358 5.672 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.008 7.603 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.595 7.640 8.602 1.00 0.00 H new ATOM 356 N VAL A 42 -1.256 2.891 7.699 1.00 0.00 N ATOM 357 CA VAL A 42 -0.902 1.519 7.914 1.00 0.00 C ATOM 358 C VAL A 42 0.586 1.403 7.796 1.00 0.00 C ATOM 359 O VAL A 42 1.178 1.994 6.903 1.00 0.00 O ATOM 360 CB VAL A 42 -1.608 0.592 6.891 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.172 -0.845 7.060 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.118 0.699 7.015 1.00 0.00 C ATOM 0 H VAL A 42 -0.946 3.264 6.802 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.227 1.204 8.906 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.316 0.922 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.685 -1.469 6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.095 -0.919 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.421 -1.185 8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.590 0.039 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.422 0.407 8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.427 1.727 6.827 1.00 0.00 H new ATOM 372 N TYR A 43 1.200 0.704 8.710 1.00 0.00 N ATOM 373 CA TYR A 43 2.643 0.588 8.707 1.00 0.00 C ATOM 374 C TYR A 43 3.066 -0.870 8.726 1.00 0.00 C ATOM 375 O TYR A 43 4.254 -1.184 8.667 1.00 0.00 O ATOM 376 CB TYR A 43 3.214 1.245 9.941 1.00 0.00 C ATOM 377 CG TYR A 43 2.716 2.642 10.228 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.717 2.844 11.162 1.00 0.00 C ATOM 379 CD2 TYR A 43 3.256 3.751 9.593 1.00 0.00 C ATOM 380 CE1 TYR A 43 1.274 4.105 11.467 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.806 5.025 9.885 1.00 0.00 C ATOM 382 CZ TYR A 43 1.818 5.190 10.827 1.00 0.00 C ATOM 383 OH TYR A 43 1.389 6.451 11.164 1.00 0.00 O ATOM 0 H TYR A 43 0.731 0.205 9.466 1.00 0.00 H new ATOM 0 HA TYR A 43 3.013 1.072 7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.991 0.615 10.802 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.299 1.279 9.844 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.277 1.993 11.661 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.038 3.617 8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.500 4.244 12.208 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.226 5.882 9.379 1.00 0.00 H new ATOM 0 HH TYR A 43 1.122 6.933 10.354 1.00 0.00 H new ATOM 393 N LYS A 44 2.114 -1.748 8.799 1.00 0.00 N ATOM 394 CA LYS A 44 2.403 -3.147 8.955 1.00 0.00 C ATOM 395 C LYS A 44 1.472 -3.959 8.095 1.00 0.00 C ATOM 396 O LYS A 44 0.443 -3.460 7.649 1.00 0.00 O ATOM 397 CB LYS A 44 2.268 -3.549 10.428 1.00 0.00 C ATOM 398 CG LYS A 44 0.879 -3.353 11.007 1.00 0.00 C ATOM 399 CD LYS A 44 0.871 -3.627 12.490 1.00 0.00 C ATOM 400 CE LYS A 44 -0.520 -3.472 13.070 1.00 0.00 C ATOM 401 NZ LYS A 44 -0.526 -3.623 14.536 1.00 0.00 N ATOM 0 H LYS A 44 1.121 -1.522 8.753 1.00 0.00 H new ATOM 0 HA LYS A 44 3.428 -3.341 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.547 -4.597 10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.979 -2.969 11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.543 -2.333 10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.175 -4.018 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.235 -4.637 12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.555 -2.943 12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.916 -2.492 12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.183 -4.215 12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.496 -3.510 14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.172 -4.568 14.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.086 -2.898 14.962 1.00 0.00 H new ATOM 415 N SER A 45 1.823 -5.175 7.859 1.00 0.00 N ATOM 416 CA SER A 45 1.016 -6.039 7.058 1.00 0.00 C ATOM 417 C SER A 45 -0.090 -6.704 7.884 1.00 0.00 C ATOM 418 O SER A 45 0.099 -7.018 9.069 1.00 0.00 O ATOM 419 CB SER A 45 1.913 -7.048 6.348 1.00 0.00 C ATOM 420 OG SER A 45 2.974 -7.487 7.190 1.00 0.00 O ATOM 0 H SER A 45 2.678 -5.603 8.215 1.00 0.00 H new ATOM 0 HA SER A 45 0.500 -5.452 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.319 -7.906 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.326 -6.597 5.446 1.00 0.00 H new ATOM 0 HG SER A 45 3.529 -8.134 6.706 1.00 0.00 H new ATOM 426 N VAL A 46 -1.228 -6.896 7.266 1.00 0.00 N ATOM 427 CA VAL A 46 -2.368 -7.487 7.914 1.00 0.00 C ATOM 428 C VAL A 46 -2.751 -8.765 7.172 1.00 0.00 C ATOM 429 O VAL A 46 -2.742 -8.800 5.930 1.00 0.00 O ATOM 430 CB VAL A 46 -3.582 -6.495 7.974 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.109 -6.158 6.600 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.688 -7.031 8.859 1.00 0.00 C ATOM 0 H VAL A 46 -1.389 -6.644 6.291 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.102 -7.723 8.944 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.211 -5.570 8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.948 -5.469 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.319 -5.692 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.441 -7.070 6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.514 -6.320 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.039 -7.985 8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.308 -7.174 9.870 1.00 0.00 H new ATOM 442 N GLY A 47 -3.069 -9.798 7.909 1.00 0.00 N ATOM 443 CA GLY A 47 -3.394 -11.049 7.290 1.00 0.00 C ATOM 444 C GLY A 47 -4.871 -11.202 7.048 1.00 0.00 C ATOM 445 O GLY A 47 -5.286 -11.971 6.173 1.00 0.00 O ATOM 0 H GLY A 47 -3.109 -9.795 8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.863 -11.131 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.046 -11.866 7.922 1.00 0.00 H new ATOM 449 N SER A 48 -5.666 -10.458 7.782 1.00 0.00 N ATOM 450 CA SER A 48 -7.091 -10.537 7.659 1.00 0.00 C ATOM 451 C SER A 48 -7.778 -9.275 8.162 1.00 0.00 C ATOM 452 O SER A 48 -7.476 -8.776 9.248 1.00 0.00 O ATOM 453 CB SER A 48 -7.626 -11.790 8.369 1.00 0.00 C ATOM 454 OG SER A 48 -7.123 -11.900 9.699 1.00 0.00 O ATOM 0 H SER A 48 -5.339 -9.786 8.476 1.00 0.00 H new ATOM 0 HA SER A 48 -7.327 -10.620 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.715 -11.757 8.394 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.347 -12.677 7.800 1.00 0.00 H new ATOM 0 HG SER A 48 -7.486 -12.707 10.120 1.00 0.00 H new ATOM 460 N LEU A 49 -8.637 -8.745 7.339 1.00 0.00 N ATOM 461 CA LEU A 49 -9.455 -7.598 7.655 1.00 0.00 C ATOM 462 C LEU A 49 -10.900 -8.008 7.584 1.00 0.00 C ATOM 463 O LEU A 49 -11.367 -8.476 6.531 1.00 0.00 O ATOM 464 CB LEU A 49 -9.204 -6.513 6.612 1.00 0.00 C ATOM 465 CG LEU A 49 -7.806 -5.927 6.597 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.597 -5.090 5.354 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.605 -5.081 7.832 1.00 0.00 C ATOM 0 H LEU A 49 -8.796 -9.107 6.399 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.214 -7.225 8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.415 -6.927 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.916 -5.704 6.777 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.079 -6.739 6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.588 -4.677 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.730 -5.713 4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.322 -4.277 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.600 -4.658 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.338 -4.274 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.731 -5.699 8.721 1.00 0.00 H new ATOM 479 N SER A 50 -11.582 -7.905 8.685 1.00 0.00 N ATOM 480 CA SER A 50 -12.983 -8.171 8.738 1.00 0.00 C ATOM 481 C SER A 50 -13.703 -7.046 9.481 1.00 0.00 C ATOM 482 O SER A 50 -13.435 -6.811 10.663 1.00 0.00 O ATOM 483 CB SER A 50 -13.242 -9.524 9.366 1.00 0.00 C ATOM 484 OG SER A 50 -12.548 -10.538 8.640 1.00 0.00 O ATOM 0 H SER A 50 -11.175 -7.631 9.579 1.00 0.00 H new ATOM 0 HA SER A 50 -13.382 -8.205 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.915 -9.521 10.406 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.312 -9.734 9.369 1.00 0.00 H new ATOM 0 HG SER A 50 -12.719 -11.410 9.052 1.00 0.00 H new ATOM 490 N PRO A 51 -14.561 -6.290 8.793 1.00 0.00 N ATOM 491 CA PRO A 51 -14.810 -6.470 7.369 1.00 0.00 C ATOM 492 C PRO A 51 -13.655 -5.879 6.545 1.00 0.00 C ATOM 493 O PRO A 51 -12.891 -5.039 7.058 1.00 0.00 O ATOM 494 CB PRO A 51 -16.100 -5.674 7.108 1.00 0.00 C ATOM 495 CG PRO A 51 -16.541 -5.141 8.434 1.00 0.00 C ATOM 496 CD PRO A 51 -15.346 -5.188 9.343 1.00 0.00 C ATOM 0 HA PRO A 51 -14.896 -7.520 7.091 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.920 -4.862 6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.868 -6.311 6.670 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.912 -4.121 8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.357 -5.739 8.838 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.791 -4.250 9.329 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.633 -5.373 10.378 1.00 0.00 H new ATOM 504 N PRO A 52 -13.491 -6.305 5.281 1.00 0.00 N ATOM 505 CA PRO A 52 -12.417 -5.812 4.419 1.00 0.00 C ATOM 506 C PRO A 52 -12.548 -4.312 4.171 1.00 0.00 C ATOM 507 O PRO A 52 -13.659 -3.744 4.276 1.00 0.00 O ATOM 508 CB PRO A 52 -12.610 -6.589 3.107 1.00 0.00 C ATOM 509 CG PRO A 52 -14.014 -7.068 3.147 1.00 0.00 C ATOM 510 CD PRO A 52 -14.333 -7.295 4.594 1.00 0.00 C ATOM 0 HA PRO A 52 -11.432 -5.958 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.435 -5.951 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.911 -7.422 3.035 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.689 -6.333 2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.129 -7.988 2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.391 -7.138 4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.094 -8.312 4.905 1.00 0.00 H new ATOM 518 N TRP A 53 -11.463 -3.683 3.820 1.00 0.00 N ATOM 519 CA TRP A 53 -11.465 -2.255 3.613 1.00 0.00 C ATOM 520 C TRP A 53 -11.804 -1.972 2.186 1.00 0.00 C ATOM 521 O TRP A 53 -11.362 -2.690 1.297 1.00 0.00 O ATOM 522 CB TRP A 53 -10.095 -1.639 3.936 1.00 0.00 C ATOM 523 CG TRP A 53 -9.694 -1.709 5.387 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.521 -1.835 6.468 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.362 -1.627 5.919 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.793 -1.853 7.621 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.469 -1.722 7.320 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.088 -1.495 5.351 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.359 -1.679 8.160 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.988 -1.458 6.193 1.00 0.00 C ATOM 531 CH2 TRP A 53 -6.131 -1.552 7.578 1.00 0.00 C ATOM 0 H TRP A 53 -10.561 -4.134 3.670 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.204 -1.812 4.281 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.336 -2.145 3.340 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.100 -0.594 3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.597 -1.910 6.416 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.178 -1.949 8.561 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.966 -1.424 4.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.466 -1.744 9.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.000 -1.354 5.769 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.251 -1.524 8.203 1.00 0.00 H new ATOM 542 N THR A 54 -12.592 -0.956 1.965 1.00 0.00 N ATOM 543 CA THR A 54 -12.993 -0.583 0.638 1.00 0.00 C ATOM 544 C THR A 54 -12.623 0.880 0.354 1.00 0.00 C ATOM 545 O THR A 54 -13.490 1.776 0.415 1.00 0.00 O ATOM 546 CB THR A 54 -14.509 -0.802 0.447 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.222 -0.138 1.507 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.843 -2.287 0.465 1.00 0.00 C ATOM 0 H THR A 54 -12.974 -0.363 2.702 1.00 0.00 H new ATOM 0 HA THR A 54 -12.461 -1.218 -0.071 1.00 0.00 H new ATOM 0 HB THR A 54 -14.805 -0.390 -0.518 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.932 0.797 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.916 -2.420 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.310 -2.790 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.543 -2.716 1.421 1.00 0.00 H new ATOM 556 N PRO A 55 -11.328 1.164 0.143 1.00 0.00 N ATOM 557 CA PRO A 55 -10.860 2.512 -0.097 1.00 0.00 C ATOM 558 C PRO A 55 -11.196 3.038 -1.490 1.00 0.00 C ATOM 559 O PRO A 55 -11.395 2.271 -2.442 1.00 0.00 O ATOM 560 CB PRO A 55 -9.355 2.391 0.062 1.00 0.00 C ATOM 561 CG PRO A 55 -9.060 1.004 -0.354 1.00 0.00 C ATOM 562 CD PRO A 55 -10.211 0.195 0.140 1.00 0.00 C ATOM 0 HA PRO A 55 -11.335 3.219 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.829 3.115 -0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.047 2.573 1.092 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.963 0.930 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.121 0.655 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.416 -0.654 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.023 -0.206 1.136 1.00 0.00 H new ATOM 570 N GLY A 56 -11.239 4.342 -1.597 1.00 0.00 N ATOM 571 CA GLY A 56 -11.488 4.984 -2.852 1.00 0.00 C ATOM 572 C GLY A 56 -10.209 5.105 -3.639 1.00 0.00 C ATOM 573 O GLY A 56 -10.200 4.979 -4.865 1.00 0.00 O ATOM 0 H GLY A 56 -11.102 4.983 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.221 4.413 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.915 5.973 -2.684 1.00 0.00 H new ATOM 577 N SER A 57 -9.117 5.306 -2.934 1.00 0.00 N ATOM 578 CA SER A 57 -7.830 5.442 -3.547 1.00 0.00 C ATOM 579 C SER A 57 -6.764 5.022 -2.562 1.00 0.00 C ATOM 580 O SER A 57 -6.996 5.042 -1.346 1.00 0.00 O ATOM 581 CB SER A 57 -7.602 6.881 -4.068 1.00 0.00 C ATOM 582 OG SER A 57 -7.804 7.864 -3.069 1.00 0.00 O ATOM 0 H SER A 57 -9.105 5.379 -1.917 1.00 0.00 H new ATOM 0 HA SER A 57 -7.776 4.789 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.587 6.966 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.278 7.072 -4.902 1.00 0.00 H new ATOM 0 HG SER A 57 -8.733 7.828 -2.758 1.00 0.00 H new ATOM 588 N VAL A 58 -5.635 4.604 -3.064 1.00 0.00 N ATOM 589 CA VAL A 58 -4.547 4.162 -2.225 1.00 0.00 C ATOM 590 C VAL A 58 -3.306 4.871 -2.693 1.00 0.00 C ATOM 591 O VAL A 58 -3.144 5.070 -3.901 1.00 0.00 O ATOM 592 CB VAL A 58 -4.304 2.628 -2.383 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.248 2.143 -1.411 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.590 1.831 -2.222 1.00 0.00 C ATOM 0 H VAL A 58 -5.440 4.559 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.785 4.377 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.941 2.462 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.098 1.071 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.311 2.667 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.574 2.342 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.377 0.769 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.007 2.010 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.308 2.143 -2.980 1.00 0.00 H new ATOM 604 N CYS A 59 -2.446 5.261 -1.793 1.00 0.00 N ATOM 605 CA CYS A 59 -1.217 5.880 -2.194 1.00 0.00 C ATOM 606 C CYS A 59 -0.098 5.514 -1.242 1.00 0.00 C ATOM 607 O CYS A 59 -0.345 5.198 -0.062 1.00 0.00 O ATOM 608 CB CYS A 59 -1.352 7.403 -2.305 1.00 0.00 C ATOM 609 SG CYS A 59 0.120 8.183 -3.055 1.00 0.00 S ATOM 0 H CYS A 59 -2.573 5.162 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.972 5.500 -3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.231 7.644 -2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.516 7.823 -1.313 1.00 0.00 H new ATOM 614 N VAL A 60 1.110 5.518 -1.757 1.00 0.00 N ATOM 615 CA VAL A 60 2.295 5.271 -0.977 1.00 0.00 C ATOM 616 C VAL A 60 3.154 6.532 -1.021 1.00 0.00 C ATOM 617 O VAL A 60 3.441 7.037 -2.112 1.00 0.00 O ATOM 618 CB VAL A 60 3.113 4.069 -1.534 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.385 3.836 -0.720 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.265 2.809 -1.556 1.00 0.00 C ATOM 0 H VAL A 60 1.297 5.696 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 60 2.003 5.023 0.044 1.00 0.00 H new ATOM 0 HB VAL A 60 3.406 4.314 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.933 2.990 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.011 4.728 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.120 3.624 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.855 1.980 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.937 2.573 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.394 2.968 -2.192 1.00 0.00 H new ATOM 630 N PRO A 61 3.522 7.077 0.156 1.00 0.00 N ATOM 631 CA PRO A 61 4.368 8.277 0.266 1.00 0.00 C ATOM 632 C PRO A 61 5.643 8.201 -0.586 1.00 0.00 C ATOM 633 O PRO A 61 6.270 7.132 -0.708 1.00 0.00 O ATOM 634 CB PRO A 61 4.746 8.333 1.755 1.00 0.00 C ATOM 635 CG PRO A 61 4.060 7.203 2.428 1.00 0.00 C ATOM 636 CD PRO A 61 3.116 6.568 1.473 1.00 0.00 C ATOM 0 HA PRO A 61 3.835 9.157 -0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.826 8.256 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.441 9.283 2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.791 6.473 2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.523 7.559 3.307 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.181 5.481 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.084 6.834 1.700 1.00 0.00 H new ATOM 644 N PHE A 62 6.019 9.323 -1.187 1.00 0.00 N ATOM 645 CA PHE A 62 7.217 9.361 -1.977 1.00 0.00 C ATOM 646 C PHE A 62 8.424 9.379 -1.076 1.00 0.00 C ATOM 647 O PHE A 62 8.664 10.335 -0.333 1.00 0.00 O ATOM 648 CB PHE A 62 7.258 10.538 -2.962 1.00 0.00 C ATOM 649 CG PHE A 62 8.528 10.551 -3.792 1.00 0.00 C ATOM 650 CD1 PHE A 62 8.691 9.665 -4.847 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.564 11.426 -3.500 1.00 0.00 C ATOM 652 CE1 PHE A 62 9.854 9.653 -5.590 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.727 11.417 -4.242 1.00 0.00 C ATOM 654 CZ PHE A 62 10.874 10.529 -5.288 1.00 0.00 C ATOM 0 H PHE A 62 5.509 10.205 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 62 7.225 8.457 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.394 10.484 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.178 11.474 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.897 8.975 -5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.459 12.123 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.965 8.957 -6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.524 12.106 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.785 10.521 -5.868 1.00 0.00 H new ATOM 664 N VAL A 63 9.156 8.325 -1.142 1.00 0.00 N ATOM 665 CA VAL A 63 10.326 8.146 -0.357 1.00 0.00 C ATOM 666 C VAL A 63 11.547 8.578 -1.124 1.00 0.00 C ATOM 667 O VAL A 63 11.767 8.139 -2.250 1.00 0.00 O ATOM 668 CB VAL A 63 10.447 6.683 0.106 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.766 6.407 0.793 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.285 6.357 1.011 1.00 0.00 C ATOM 0 H VAL A 63 8.952 7.540 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 63 10.249 8.773 0.531 1.00 0.00 H new ATOM 0 HB VAL A 63 10.420 6.039 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.804 5.362 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.585 6.612 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.861 7.048 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.362 5.322 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.301 7.019 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.350 6.494 0.467 1.00 0.00 H new ATOM 680 N ASN A 64 12.288 9.464 -0.521 1.00 0.00 N ATOM 681 CA ASN A 64 13.520 9.999 -1.072 1.00 0.00 C ATOM 682 C ASN A 64 14.628 9.850 -0.030 1.00 0.00 C ATOM 683 O ASN A 64 15.708 10.403 -0.168 1.00 0.00 O ATOM 684 CB ASN A 64 13.326 11.489 -1.434 1.00 0.00 C ATOM 685 CG ASN A 64 13.008 12.386 -0.229 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.419 11.942 0.781 1.00 0.00 O ATOM 687 ND2 ASN A 64 13.352 13.640 -0.335 1.00 0.00 N ATOM 0 H ASN A 64 12.053 9.850 0.393 1.00 0.00 H new ATOM 0 HA ASN A 64 13.792 9.455 -1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.231 11.856 -1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.518 11.574 -2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.142 14.292 0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.831 13.968 -1.173 1.00 0.00 H new ATOM 694 N ASP A 65 14.315 9.068 0.997 1.00 0.00 N ATOM 695 CA ASP A 65 15.189 8.779 2.151 1.00 0.00 C ATOM 696 C ASP A 65 16.508 8.167 1.760 1.00 0.00 C ATOM 697 O ASP A 65 16.598 7.453 0.773 1.00 0.00 O ATOM 698 CB ASP A 65 14.500 7.888 3.198 1.00 0.00 C ATOM 699 CG ASP A 65 13.431 8.611 3.970 1.00 0.00 C ATOM 700 OD1 ASP A 65 12.342 8.819 3.433 1.00 0.00 O ATOM 701 OD2 ASP A 65 13.677 9.007 5.143 1.00 0.00 O ATOM 0 H ASP A 65 13.413 8.595 1.061 1.00 0.00 H new ATOM 0 HA ASP A 65 15.391 9.753 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.060 7.024 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.249 7.508 3.893 1.00 0.00 H new ATOM 706 N THR A 66 17.531 8.490 2.526 1.00 0.00 N ATOM 707 CA THR A 66 18.901 7.997 2.370 1.00 0.00 C ATOM 708 C THR A 66 18.966 6.420 2.330 1.00 0.00 C ATOM 709 O THR A 66 19.996 5.833 1.984 1.00 0.00 O ATOM 710 CB THR A 66 19.676 8.501 3.597 1.00 0.00 C ATOM 711 OG1 THR A 66 19.209 9.834 3.896 1.00 0.00 O ATOM 712 CG2 THR A 66 21.173 8.547 3.330 1.00 0.00 C ATOM 0 H THR A 66 17.434 9.132 3.312 1.00 0.00 H new ATOM 0 HA THR A 66 19.318 8.354 1.429 1.00 0.00 H new ATOM 0 HB THR A 66 19.506 7.821 4.431 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.687 10.180 4.678 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.690 8.908 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.530 7.547 3.084 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.373 9.219 2.496 1.00 0.00 H new ATOM 720 N LYS A 67 17.862 5.773 2.702 1.00 0.00 N ATOM 721 CA LYS A 67 17.691 4.318 2.651 1.00 0.00 C ATOM 722 C LYS A 67 17.884 3.789 1.231 1.00 0.00 C ATOM 723 O LYS A 67 17.771 4.535 0.257 1.00 0.00 O ATOM 724 CB LYS A 67 16.278 3.957 3.128 1.00 0.00 C ATOM 725 CG LYS A 67 16.019 4.231 4.597 1.00 0.00 C ATOM 726 CD LYS A 67 16.833 3.297 5.460 1.00 0.00 C ATOM 727 CE LYS A 67 16.605 3.533 6.933 1.00 0.00 C ATOM 728 NZ LYS A 67 17.349 2.560 7.752 1.00 0.00 N ATOM 0 H LYS A 67 17.038 6.258 3.057 1.00 0.00 H new ATOM 0 HA LYS A 67 18.441 3.863 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.554 4.516 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.102 2.899 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.272 5.265 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.958 4.106 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.578 2.266 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.891 3.426 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.916 4.545 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.540 3.460 7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.173 2.747 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.034 1.597 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.367 2.648 7.557 1.00 0.00 H new ATOM 742 N ARG A 68 18.131 2.502 1.111 1.00 0.00 N ATOM 743 CA ARG A 68 18.362 1.904 -0.198 1.00 0.00 C ATOM 744 C ARG A 68 17.048 1.393 -0.720 1.00 0.00 C ATOM 745 O ARG A 68 16.821 1.305 -1.915 1.00 0.00 O ATOM 746 CB ARG A 68 19.327 0.692 -0.152 1.00 0.00 C ATOM 747 CG ARG A 68 20.694 0.883 0.507 1.00 0.00 C ATOM 748 CD ARG A 68 20.608 0.918 2.032 1.00 0.00 C ATOM 749 NE ARG A 68 19.854 -0.234 2.578 1.00 0.00 N ATOM 750 CZ ARG A 68 20.348 -1.217 3.344 1.00 0.00 C ATOM 751 NH1 ARG A 68 21.652 -1.315 3.590 1.00 0.00 N ATOM 752 NH2 ARG A 68 19.523 -2.132 3.816 1.00 0.00 N ATOM 0 H ARG A 68 18.178 1.849 1.894 1.00 0.00 H new ATOM 0 HA ARG A 68 18.806 2.675 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.818 -0.120 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.494 0.360 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.357 0.073 0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.139 1.812 0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.614 0.922 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.128 1.845 2.346 1.00 0.00 H new ATOM 0 HE ARG A 68 18.861 -0.284 2.349 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.299 -0.633 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.005 -2.072 4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.528 -2.084 3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.880 -2.888 4.401 1.00 0.00 H new ATOM 766 N GLU A 69 16.201 1.049 0.198 1.00 0.00 N ATOM 767 CA GLU A 69 14.958 0.433 -0.091 1.00 0.00 C ATOM 768 C GLU A 69 13.781 1.347 0.169 1.00 0.00 C ATOM 769 O GLU A 69 13.757 2.132 1.124 1.00 0.00 O ATOM 770 CB GLU A 69 14.808 -0.911 0.655 1.00 0.00 C ATOM 771 CG GLU A 69 15.049 -0.867 2.171 1.00 0.00 C ATOM 772 CD GLU A 69 16.508 -0.653 2.548 1.00 0.00 C ATOM 773 OE1 GLU A 69 16.925 0.500 2.838 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.268 -1.611 2.535 1.00 0.00 O ATOM 0 H GLU A 69 16.365 1.196 1.194 1.00 0.00 H new ATOM 0 HA GLU A 69 14.956 0.223 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.803 -1.293 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.503 -1.627 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.449 -0.066 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.701 -1.800 2.613 1.00 0.00 H new ATOM 781 N ARG A 70 12.835 1.262 -0.703 1.00 0.00 N ATOM 782 CA ARG A 70 11.625 2.016 -0.633 1.00 0.00 C ATOM 783 C ARG A 70 10.530 1.065 -0.208 1.00 0.00 C ATOM 784 O ARG A 70 10.645 -0.125 -0.439 1.00 0.00 O ATOM 785 CB ARG A 70 11.278 2.581 -2.006 1.00 0.00 C ATOM 786 CG ARG A 70 12.417 3.292 -2.713 1.00 0.00 C ATOM 787 CD ARG A 70 13.006 4.397 -1.889 1.00 0.00 C ATOM 788 NE ARG A 70 14.108 5.037 -2.586 1.00 0.00 N ATOM 789 CZ ARG A 70 15.057 5.755 -2.012 1.00 0.00 C ATOM 790 NH1 ARG A 70 15.106 5.850 -0.695 1.00 0.00 N ATOM 791 NH2 ARG A 70 15.978 6.346 -2.753 1.00 0.00 N ATOM 0 H ARG A 70 12.882 0.645 -1.514 1.00 0.00 H new ATOM 0 HA ARG A 70 11.735 2.843 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 70 10.929 1.766 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.447 3.278 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.196 2.570 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.056 3.700 -3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.237 5.135 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.356 3.998 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 70 14.153 4.923 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.412 5.369 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.838 6.404 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.956 6.248 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.711 6.900 -2.310 1.00 0.00 H new ATOM 805 N PRO A 71 9.472 1.533 0.414 1.00 0.00 N ATOM 806 CA PRO A 71 8.399 0.664 0.823 1.00 0.00 C ATOM 807 C PRO A 71 7.447 0.377 -0.352 1.00 0.00 C ATOM 808 O PRO A 71 7.101 1.271 -1.126 1.00 0.00 O ATOM 809 CB PRO A 71 7.739 1.469 1.934 1.00 0.00 C ATOM 810 CG PRO A 71 7.910 2.886 1.523 1.00 0.00 C ATOM 811 CD PRO A 71 9.203 2.942 0.753 1.00 0.00 C ATOM 0 HA PRO A 71 8.719 -0.324 1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.685 1.211 2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.211 1.276 2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.074 3.217 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.945 3.543 2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.109 3.558 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.007 3.370 1.352 1.00 0.00 H new ATOM 819 N TYR A 72 7.078 -0.856 -0.507 1.00 0.00 N ATOM 820 CA TYR A 72 6.233 -1.274 -1.598 1.00 0.00 C ATOM 821 C TYR A 72 5.090 -2.062 -0.990 1.00 0.00 C ATOM 822 O TYR A 72 5.308 -3.034 -0.275 1.00 0.00 O ATOM 823 CB TYR A 72 7.047 -2.146 -2.564 1.00 0.00 C ATOM 824 CG TYR A 72 6.443 -2.315 -3.945 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.850 -1.506 -4.996 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.486 -3.280 -4.204 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.323 -1.657 -6.263 1.00 0.00 C ATOM 828 CE2 TYR A 72 4.953 -3.433 -5.470 1.00 0.00 C ATOM 829 CZ TYR A 72 5.377 -2.621 -6.495 1.00 0.00 C ATOM 830 OH TYR A 72 4.850 -2.782 -7.763 1.00 0.00 O ATOM 0 H TYR A 72 7.353 -1.611 0.121 1.00 0.00 H new ATOM 0 HA TYR A 72 5.847 -0.424 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.041 -1.712 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.176 -3.132 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.594 -0.743 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.150 -3.924 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.655 -1.018 -7.068 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.204 -4.189 -5.654 1.00 0.00 H new ATOM 0 HH TYR A 72 4.193 -3.509 -7.754 1.00 0.00 H new ATOM 840 N TRP A 73 3.909 -1.656 -1.246 1.00 0.00 N ATOM 841 CA TRP A 73 2.775 -2.231 -0.591 1.00 0.00 C ATOM 842 C TRP A 73 1.951 -3.070 -1.531 1.00 0.00 C ATOM 843 O TRP A 73 1.706 -2.681 -2.668 1.00 0.00 O ATOM 844 CB TRP A 73 1.943 -1.121 0.033 1.00 0.00 C ATOM 845 CG TRP A 73 2.649 -0.403 1.151 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.538 0.628 1.049 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.501 -0.664 2.535 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.941 1.026 2.298 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.314 0.247 3.230 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.745 -1.579 3.254 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.388 0.264 4.615 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.807 -1.567 4.620 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.623 -0.649 5.294 1.00 0.00 C ATOM 0 H TRP A 73 3.687 -0.917 -1.913 1.00 0.00 H new ATOM 0 HA TRP A 73 3.127 -2.901 0.193 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.674 -0.400 -0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.013 -1.544 0.413 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.875 1.066 0.121 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.600 1.779 2.498 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.116 -2.291 2.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.021 0.967 5.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.219 -2.274 5.187 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.650 -0.661 6.374 1.00 0.00 H new ATOM 864 N TYR A 74 1.563 -4.222 -1.063 1.00 0.00 N ATOM 865 CA TYR A 74 0.721 -5.119 -1.798 1.00 0.00 C ATOM 866 C TYR A 74 -0.613 -5.246 -1.118 1.00 0.00 C ATOM 867 O TYR A 74 -0.688 -5.321 0.109 1.00 0.00 O ATOM 868 CB TYR A 74 1.365 -6.494 -1.957 1.00 0.00 C ATOM 869 CG TYR A 74 2.401 -6.574 -3.050 1.00 0.00 C ATOM 870 CD1 TYR A 74 3.751 -6.581 -2.760 1.00 0.00 C ATOM 871 CD2 TYR A 74 2.016 -6.653 -4.382 1.00 0.00 C ATOM 872 CE1 TYR A 74 4.693 -6.666 -3.765 1.00 0.00 C ATOM 873 CE2 TYR A 74 2.943 -6.735 -5.392 1.00 0.00 C ATOM 874 CZ TYR A 74 4.286 -6.741 -5.081 1.00 0.00 C ATOM 875 OH TYR A 74 5.230 -6.824 -6.087 1.00 0.00 O ATOM 0 H TYR A 74 1.829 -4.570 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 74 0.580 -4.703 -2.796 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.829 -6.776 -1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.584 -7.227 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.075 -6.519 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.965 -6.650 -4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.745 -6.674 -3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.622 -6.794 -6.422 1.00 0.00 H new ATOM 0 HH TYR A 74 5.511 -5.922 -6.347 1.00 0.00 H new ATOM 885 N LEU A 75 -1.647 -5.324 -1.901 1.00 0.00 N ATOM 886 CA LEU A 75 -2.993 -5.379 -1.394 1.00 0.00 C ATOM 887 C LEU A 75 -3.626 -6.606 -1.986 1.00 0.00 C ATOM 888 O LEU A 75 -3.351 -6.940 -3.142 1.00 0.00 O ATOM 889 CB LEU A 75 -3.765 -4.147 -1.900 1.00 0.00 C ATOM 890 CG LEU A 75 -3.044 -2.792 -1.792 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.880 -1.689 -2.393 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.707 -2.462 -0.360 1.00 0.00 C ATOM 0 H LEU A 75 -1.584 -5.352 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.005 -5.401 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.024 -4.313 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.701 -4.080 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.113 -2.873 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.349 -0.741 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.065 -1.905 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.831 -1.623 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.198 -1.499 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.624 -2.414 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.055 -3.234 0.048 1.00 0.00 H new ATOM 904 N PHE A 76 -4.435 -7.287 -1.209 1.00 0.00 N ATOM 905 CA PHE A 76 -5.045 -8.527 -1.639 1.00 0.00 C ATOM 906 C PHE A 76 -6.516 -8.511 -1.362 1.00 0.00 C ATOM 907 O PHE A 76 -6.965 -8.004 -0.322 1.00 0.00 O ATOM 908 CB PHE A 76 -4.398 -9.726 -0.938 1.00 0.00 C ATOM 909 CG PHE A 76 -2.929 -9.847 -1.202 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.016 -9.133 -0.443 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.462 -10.652 -2.221 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.673 -9.220 -0.699 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.120 -10.748 -2.472 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.224 -10.028 -1.714 1.00 0.00 C ATOM 0 H PHE A 76 -4.689 -7.000 -0.264 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.886 -8.624 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.561 -9.641 0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.895 -10.640 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.367 -8.501 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.161 -11.211 -2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.030 -8.655 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.764 -11.389 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.834 -10.099 -1.918 1.00 0.00 H new ATOM 924 N ASP A 77 -7.270 -9.061 -2.274 1.00 0.00 N ATOM 925 CA ASP A 77 -8.719 -9.072 -2.163 1.00 0.00 C ATOM 926 C ASP A 77 -9.196 -10.132 -1.179 1.00 0.00 C ATOM 927 O ASP A 77 -10.306 -10.030 -0.655 1.00 0.00 O ATOM 928 CB ASP A 77 -9.399 -9.261 -3.531 1.00 0.00 C ATOM 929 CG ASP A 77 -9.748 -10.687 -3.882 1.00 0.00 C ATOM 930 OD1 ASP A 77 -10.872 -11.126 -3.585 1.00 0.00 O ATOM 931 OD2 ASP A 77 -8.964 -11.348 -4.549 1.00 0.00 O ATOM 0 H ASP A 77 -6.909 -9.514 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.011 -8.095 -1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.311 -8.665 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.741 -8.864 -4.304 1.00 0.00 H new ATOM 936 N ASN A 78 -8.382 -11.137 -0.917 1.00 0.00 N ATOM 937 CA ASN A 78 -8.749 -12.148 0.050 1.00 0.00 C ATOM 938 C ASN A 78 -7.733 -12.138 1.175 1.00 0.00 C ATOM 939 O ASN A 78 -6.711 -11.472 1.061 1.00 0.00 O ATOM 940 CB ASN A 78 -8.864 -13.540 -0.586 1.00 0.00 C ATOM 941 CG ASN A 78 -9.635 -14.490 0.310 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.074 -15.249 1.103 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.921 -14.382 0.253 1.00 0.00 N ATOM 0 H ASN A 78 -7.472 -11.273 -1.356 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.737 -11.914 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.363 -13.461 -1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.868 -13.941 -0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.507 -14.936 0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.350 -13.743 -0.416 1.00 0.00 H new ATOM 950 N VAL A 79 -8.022 -12.823 2.265 1.00 0.00 N ATOM 951 CA VAL A 79 -7.141 -12.871 3.411 1.00 0.00 C ATOM 952 C VAL A 79 -5.940 -13.754 3.116 1.00 0.00 C ATOM 953 O VAL A 79 -5.913 -14.459 2.101 1.00 0.00 O ATOM 954 CB VAL A 79 -7.854 -13.403 4.686 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.019 -12.519 5.071 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.319 -14.836 4.494 1.00 0.00 C ATOM 0 H VAL A 79 -8.879 -13.364 2.379 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.822 -11.847 3.603 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.128 -13.383 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.497 -12.917 5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.659 -11.509 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.741 -12.493 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.814 -15.182 5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.018 -14.883 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.459 -15.472 4.284 1.00 0.00 H new ATOM 966 N ASN A 80 -4.952 -13.698 3.997 1.00 0.00 N ATOM 967 CA ASN A 80 -3.726 -14.511 3.896 1.00 0.00 C ATOM 968 C ASN A 80 -3.013 -14.327 2.573 1.00 0.00 C ATOM 969 O ASN A 80 -2.295 -15.229 2.110 1.00 0.00 O ATOM 970 CB ASN A 80 -4.029 -15.997 4.143 1.00 0.00 C ATOM 971 CG ASN A 80 -4.244 -16.313 5.600 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.302 -16.638 6.323 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.465 -16.267 6.040 1.00 0.00 N ATOM 0 H ASN A 80 -4.969 -13.085 4.812 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.052 -14.155 4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.918 -16.281 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.204 -16.600 3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.666 -16.504 7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.223 -15.994 5.414 1.00 0.00 H new ATOM 980 N TYR A 81 -3.157 -13.122 2.017 1.00 0.00 N ATOM 981 CA TYR A 81 -2.507 -12.692 0.783 1.00 0.00 C ATOM 982 C TYR A 81 -2.885 -13.590 -0.382 1.00 0.00 C ATOM 983 O TYR A 81 -2.032 -13.997 -1.173 1.00 0.00 O ATOM 984 CB TYR A 81 -0.983 -12.650 0.959 1.00 0.00 C ATOM 985 CG TYR A 81 -0.558 -11.999 2.245 1.00 0.00 C ATOM 986 CD1 TYR A 81 -1.062 -10.769 2.630 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.331 -12.632 3.084 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.690 -10.198 3.817 1.00 0.00 C ATOM 989 CE2 TYR A 81 0.707 -12.065 4.262 1.00 0.00 C ATOM 990 CZ TYR A 81 0.196 -10.849 4.631 1.00 0.00 C ATOM 991 OH TYR A 81 0.583 -10.283 5.822 1.00 0.00 O ATOM 0 H TYR A 81 -3.748 -12.399 2.428 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.857 -11.685 0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.591 -13.666 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.541 -12.110 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.758 -10.253 1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.736 -13.593 2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.093 -9.240 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.409 -12.574 4.906 1.00 0.00 H new ATOM 0 HH TYR A 81 1.215 -10.878 6.277 1.00 0.00 H new ATOM 1001 N THR A 82 -4.150 -13.882 -0.504 1.00 0.00 N ATOM 1002 CA THR A 82 -4.600 -14.708 -1.577 1.00 0.00 C ATOM 1003 C THR A 82 -5.551 -13.929 -2.477 1.00 0.00 C ATOM 1004 O THR A 82 -6.004 -12.819 -2.115 1.00 0.00 O ATOM 1005 CB THR A 82 -5.266 -16.009 -1.066 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.364 -15.707 -0.201 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.271 -16.875 -0.312 1.00 0.00 C ATOM 0 H THR A 82 -4.883 -13.559 0.128 1.00 0.00 H new ATOM 0 HA THR A 82 -3.726 -15.003 -2.158 1.00 0.00 H new ATOM 0 HB THR A 82 -5.625 -16.554 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.033 -15.251 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.767 -17.781 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.447 -17.143 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.884 -16.323 0.544 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.835 -14.484 -3.633 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.724 -13.860 -4.554 1.00 0.00 C ATOM 1017 C GLY A 83 -6.000 -12.897 -5.443 1.00 0.00 C ATOM 1018 O GLY A 83 -4.927 -13.206 -5.968 1.00 0.00 O ATOM 0 H GLY A 83 -5.453 -15.375 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.214 -14.621 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.507 -13.335 -4.007 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.562 -11.750 -5.602 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.014 -10.699 -6.426 1.00 0.00 C ATOM 1024 C ARG A 84 -4.939 -9.936 -5.686 1.00 0.00 C ATOM 1025 O ARG A 84 -4.993 -9.821 -4.465 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.119 -9.774 -6.827 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.042 -10.336 -7.864 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.320 -9.553 -7.903 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.235 -9.959 -6.847 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.513 -9.571 -6.721 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.081 -8.778 -7.627 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.219 -9.976 -5.674 1.00 0.00 N ATOM 0 H ARG A 84 -7.443 -11.497 -5.154 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.558 -11.141 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.700 -9.514 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.684 -8.849 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.561 -10.309 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.255 -11.382 -7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.098 -8.490 -7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.800 -9.689 -8.872 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.872 -10.596 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.543 -8.456 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.054 -8.492 -7.516 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.790 -10.578 -4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.191 -9.685 -5.571 1.00 0.00 H new ATOM 1046 N ILE A 85 -3.995 -9.392 -6.424 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.870 -8.708 -5.838 1.00 0.00 C ATOM 1048 C ILE A 85 -2.678 -7.334 -6.499 1.00 0.00 C ATOM 1049 O ILE A 85 -2.884 -7.169 -7.700 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.569 -9.576 -5.973 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.397 -8.937 -5.237 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.198 -9.781 -7.434 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.859 -9.790 -5.236 1.00 0.00 C ATOM 0 H ILE A 85 -3.989 -9.413 -7.444 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.069 -8.555 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.782 -10.544 -5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.172 -7.974 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.691 -8.737 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.293 -10.385 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.013 -10.291 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.022 -8.813 -7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.650 -9.272 -4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.651 -10.743 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.179 -9.968 -6.263 1.00 0.00 H new ATOM 1065 N THR A 86 -2.415 -6.349 -5.704 1.00 0.00 N ATOM 1066 CA THR A 86 -2.123 -5.020 -6.204 1.00 0.00 C ATOM 1067 C THR A 86 -0.876 -4.445 -5.530 1.00 0.00 C ATOM 1068 O THR A 86 -0.839 -4.331 -4.318 1.00 0.00 O ATOM 1069 CB THR A 86 -3.347 -4.087 -6.046 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.439 -4.620 -6.806 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.040 -2.681 -6.528 1.00 0.00 C ATOM 0 H THR A 86 -2.393 -6.430 -4.687 1.00 0.00 H new ATOM 0 HA THR A 86 -1.910 -5.095 -7.270 1.00 0.00 H new ATOM 0 HB THR A 86 -3.605 -4.033 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.038 -5.119 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.922 -2.053 -6.402 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.215 -2.269 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.762 -2.710 -7.582 1.00 0.00 H new ATOM 1079 N GLY A 87 0.132 -4.121 -6.310 1.00 0.00 N ATOM 1080 CA GLY A 87 1.348 -3.569 -5.761 1.00 0.00 C ATOM 1081 C GLY A 87 1.523 -2.099 -6.061 1.00 0.00 C ATOM 1082 O GLY A 87 1.421 -1.680 -7.217 1.00 0.00 O ATOM 0 H GLY A 87 0.133 -4.230 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.351 -3.716 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.201 -4.118 -6.159 1.00 0.00 H new ATOM 1086 N LEU A 88 1.764 -1.323 -5.031 1.00 0.00 N ATOM 1087 CA LEU A 88 1.992 0.112 -5.152 1.00 0.00 C ATOM 1088 C LEU A 88 3.378 0.479 -4.665 1.00 0.00 C ATOM 1089 O LEU A 88 3.896 -0.128 -3.712 1.00 0.00 O ATOM 1090 CB LEU A 88 0.920 0.917 -4.383 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.262 1.463 -5.202 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.205 2.558 -6.132 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.926 0.358 -5.992 1.00 0.00 C ATOM 0 H LEU A 88 1.809 -1.666 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 88 1.916 0.371 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.520 0.281 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.413 1.759 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.994 1.877 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.642 2.935 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.639 3.370 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.956 2.160 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.759 0.769 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.202 -0.087 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.297 -0.406 -5.308 1.00 0.00 H new ATOM 1105 N GLY A 89 3.963 1.463 -5.307 1.00 0.00 N ATOM 1106 CA GLY A 89 5.284 1.903 -4.970 1.00 0.00 C ATOM 1107 C GLY A 89 5.308 3.328 -4.475 1.00 0.00 C ATOM 1108 O GLY A 89 4.291 4.037 -4.547 1.00 0.00 O ATOM 0 H GLY A 89 3.532 1.976 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.697 1.248 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.928 1.815 -5.845 1.00 0.00 H new ATOM 1112 N HIS A 90 6.471 3.755 -4.008 1.00 0.00 N ATOM 1113 CA HIS A 90 6.657 5.068 -3.404 1.00 0.00 C ATOM 1114 C HIS A 90 6.356 6.203 -4.381 1.00 0.00 C ATOM 1115 O HIS A 90 6.926 6.274 -5.478 1.00 0.00 O ATOM 1116 CB HIS A 90 8.087 5.220 -2.791 1.00 0.00 C ATOM 1117 CG HIS A 90 9.242 5.276 -3.788 1.00 0.00 C ATOM 1118 ND1 HIS A 90 10.177 6.312 -3.869 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.609 4.387 -4.738 1.00 0.00 C ATOM 1120 CE1 HIS A 90 11.039 6.008 -4.844 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.740 4.852 -5.400 1.00 0.00 N ATOM 0 H HIS A 90 7.323 3.194 -4.037 1.00 0.00 H new ATOM 0 HA HIS A 90 5.933 5.143 -2.592 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.108 6.129 -2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.260 4.385 -2.112 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.198 7.150 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.101 3.458 -4.950 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.872 6.629 -5.138 1.00 0.00 H new ATOM 1129 N GLY A 91 5.430 7.047 -4.004 1.00 0.00 N ATOM 1130 CA GLY A 91 5.102 8.196 -4.797 1.00 0.00 C ATOM 1131 C GLY A 91 4.052 7.912 -5.823 1.00 0.00 C ATOM 1132 O GLY A 91 3.693 8.783 -6.605 1.00 0.00 O ATOM 0 H GLY A 91 4.888 6.956 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.757 8.997 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.002 8.557 -5.295 1.00 0.00 H new ATOM 1136 N THR A 92 3.557 6.714 -5.835 1.00 0.00 N ATOM 1137 CA THR A 92 2.560 6.348 -6.771 1.00 0.00 C ATOM 1138 C THR A 92 1.247 6.148 -6.023 1.00 0.00 C ATOM 1139 O THR A 92 1.244 5.698 -4.861 1.00 0.00 O ATOM 1140 CB THR A 92 2.985 5.056 -7.486 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.346 5.221 -7.947 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.090 4.768 -8.687 1.00 0.00 C ATOM 0 H THR A 92 3.836 5.970 -5.196 1.00 0.00 H new ATOM 0 HA THR A 92 2.429 7.128 -7.521 1.00 0.00 H new ATOM 0 HB THR A 92 2.901 4.222 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.637 4.405 -8.405 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.416 3.848 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.058 4.656 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.155 5.594 -9.395 1.00 0.00 H new ATOM 1150 N CYS A 93 0.158 6.476 -6.657 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.128 6.346 -6.040 1.00 0.00 C ATOM 1152 C CYS A 93 -2.095 5.838 -7.075 1.00 0.00 C ATOM 1153 O CYS A 93 -1.887 6.043 -8.271 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.673 7.693 -5.572 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.488 8.909 -4.855 1.00 0.00 S ATOM 0 H CYS A 93 0.137 6.839 -7.610 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.021 5.677 -5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.164 8.167 -6.422 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.444 7.500 -4.826 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.128 5.187 -6.628 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.196 4.763 -7.490 1.00 0.00 C ATOM 1162 C ILE A 94 -5.227 5.850 -7.444 1.00 0.00 C ATOM 1163 O ILE A 94 -5.608 6.268 -6.346 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.855 3.466 -6.980 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.797 2.413 -6.776 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.914 2.968 -7.976 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.332 1.103 -6.233 1.00 0.00 C ATOM 0 H ILE A 94 -3.256 4.933 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.809 4.576 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.351 3.670 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.298 2.224 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.042 2.798 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.367 2.052 -7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.684 3.730 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.443 2.769 -8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.511 0.396 -6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.805 1.276 -5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.065 0.693 -6.928 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.658 6.321 -8.586 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.665 7.389 -8.622 1.00 0.00 C ATOM 1181 C ASP A 95 -7.992 6.861 -8.171 1.00 0.00 C ATOM 1182 O ASP A 95 -8.647 7.440 -7.305 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.837 8.002 -10.019 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.677 8.837 -10.485 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -5.603 10.030 -10.124 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -4.851 8.337 -11.275 1.00 0.00 O ATOM 0 H ASP A 95 -5.342 5.997 -9.500 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.307 8.170 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.000 7.198 -10.736 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.736 8.619 -10.022 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.366 5.729 -8.709 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.628 5.122 -8.378 1.00 0.00 C ATOM 1193 C ASP A 96 -9.455 3.666 -8.084 1.00 0.00 C ATOM 1194 O ASP A 96 -9.478 2.825 -8.996 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.658 5.235 -9.493 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.176 6.620 -9.826 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -12.402 6.867 -9.640 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.408 7.462 -10.320 1.00 0.00 O ATOM 0 H ASP A 96 -7.809 5.206 -9.384 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.988 5.666 -7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.222 4.812 -10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.511 4.611 -9.228 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.249 3.347 -6.840 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.143 1.965 -6.430 1.00 0.00 C ATOM 1205 C PHE A 97 -10.486 1.265 -6.648 1.00 0.00 C ATOM 1206 O PHE A 97 -10.547 0.109 -7.039 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.688 1.854 -4.981 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.400 0.448 -4.569 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.215 -0.216 -3.686 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.306 -0.208 -5.085 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -8.937 -1.514 -3.322 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -7.020 -1.502 -4.730 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.835 -2.158 -3.847 1.00 0.00 C ATOM 0 H PHE A 97 -9.150 4.024 -6.083 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.386 1.471 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.793 2.460 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.459 2.267 -4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.080 0.283 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.661 0.305 -5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.582 -2.029 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.156 -2.001 -5.145 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.616 -3.177 -3.562 1.00 0.00 H new ATOM 1223 N THR A 98 -11.545 2.033 -6.473 1.00 0.00 N ATOM 1224 CA THR A 98 -12.909 1.550 -6.586 1.00 0.00 C ATOM 1225 C THR A 98 -13.222 1.083 -8.021 1.00 0.00 C ATOM 1226 O THR A 98 -14.016 0.164 -8.229 1.00 0.00 O ATOM 1227 CB THR A 98 -13.925 2.656 -6.127 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.285 2.222 -6.295 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.709 3.944 -6.905 1.00 0.00 C ATOM 0 H THR A 98 -11.481 3.025 -6.245 1.00 0.00 H new ATOM 0 HA THR A 98 -13.014 0.688 -5.927 1.00 0.00 H new ATOM 0 HB THR A 98 -13.744 2.839 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.894 2.931 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.424 4.696 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.695 4.306 -6.735 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.853 3.755 -7.969 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.552 1.678 -9.001 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.810 1.369 -10.399 1.00 0.00 C ATOM 1239 C LYS A 99 -11.934 0.225 -10.859 1.00 0.00 C ATOM 1240 O LYS A 99 -12.082 -0.266 -11.973 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.555 2.587 -11.281 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.290 3.837 -10.845 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.779 3.725 -10.902 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.416 4.996 -10.347 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.885 6.233 -10.987 1.00 0.00 N ATOM 0 H LYS A 99 -11.825 2.378 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.857 1.080 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.485 2.794 -11.293 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.845 2.347 -12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.994 4.081 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.975 4.668 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.101 3.565 -11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.110 2.860 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.495 4.951 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.242 5.045 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.571 7.006 -10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.985 6.498 -10.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.728 6.060 -12.000 1.00 0.00 H new ATOM 1259 N SER A 100 -11.024 -0.190 -10.008 1.00 0.00 N ATOM 1260 CA SER A 100 -10.151 -1.275 -10.324 1.00 0.00 C ATOM 1261 C SER A 100 -10.860 -2.621 -10.056 1.00 0.00 C ATOM 1262 O SER A 100 -12.074 -2.635 -9.740 1.00 0.00 O ATOM 1263 CB SER A 100 -8.850 -1.122 -9.537 1.00 0.00 C ATOM 1264 OG SER A 100 -8.218 0.126 -9.867 1.00 0.00 O ATOM 0 H SER A 100 -10.876 0.218 -9.085 1.00 0.00 H new ATOM 0 HA SER A 100 -9.896 -1.262 -11.384 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.056 -1.163 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.179 -1.950 -9.764 1.00 0.00 H new ATOM 0 HG SER A 100 -8.746 0.867 -9.501 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.134 -3.729 -10.210 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.700 -5.057 -10.032 1.00 0.00 C ATOM 1272 C GLY A 101 -11.405 -5.231 -8.708 1.00 0.00 C ATOM 1273 O GLY A 101 -12.617 -5.461 -8.663 1.00 0.00 O ATOM 0 H GLY A 101 -9.145 -3.727 -10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.404 -5.256 -10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.904 -5.798 -10.113 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.674 -5.143 -7.644 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.264 -5.226 -6.340 1.00 0.00 C ATOM 1279 C PHE A 102 -11.194 -3.903 -5.650 1.00 0.00 C ATOM 1280 O PHE A 102 -10.223 -3.166 -5.824 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.637 -6.331 -5.486 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.160 -6.214 -5.234 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.669 -5.822 -3.999 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.272 -6.536 -6.222 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.308 -5.763 -3.775 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -6.932 -6.478 -6.020 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.436 -6.095 -4.788 1.00 0.00 C ATOM 0 H PHE A 102 -9.662 -5.013 -7.649 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.312 -5.494 -6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.149 -6.353 -4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.828 -7.289 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.355 -5.561 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.646 -6.844 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.929 -5.458 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.253 -6.731 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.370 -6.056 -4.621 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.220 -3.583 -4.905 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.204 -2.376 -4.114 1.00 0.00 C ATOM 1299 C LYS A 103 -12.085 -2.771 -2.643 1.00 0.00 C ATOM 1300 O LYS A 103 -11.874 -1.942 -1.781 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.468 -1.478 -4.353 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.723 -1.811 -3.518 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.258 -3.210 -3.756 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.328 -3.568 -2.737 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.529 -2.712 -2.845 1.00 0.00 N ATOM 0 H LYS A 103 -13.073 -4.136 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.349 -1.772 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.192 -0.442 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.735 -1.540 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.486 -1.697 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.505 -1.088 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.672 -3.278 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.441 -3.930 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.617 -4.610 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.912 -3.479 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.246 -3.031 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.272 -1.725 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.916 -2.776 -3.808 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.230 -4.066 -2.384 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.188 -4.564 -1.041 1.00 0.00 C ATOM 1321 C GLY A 104 -10.932 -5.342 -0.763 1.00 0.00 C ATOM 1322 O GLY A 104 -10.718 -6.414 -1.338 1.00 0.00 O ATOM 0 H GLY A 104 -12.377 -4.780 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.258 -3.729 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.055 -5.201 -0.864 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.112 -4.818 0.109 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.863 -5.448 0.475 1.00 0.00 C ATOM 1328 C ILE A 105 -9.075 -6.232 1.751 1.00 0.00 C ATOM 1329 O ILE A 105 -9.441 -5.668 2.786 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.800 -4.347 0.705 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.624 -3.557 -0.577 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.474 -4.946 1.137 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.906 -2.244 -0.390 1.00 0.00 C ATOM 0 H ILE A 105 -10.289 -3.937 0.591 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.524 -6.119 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.141 -3.688 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.071 -4.164 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.605 -3.365 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.747 -4.148 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.610 -5.498 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.111 -5.623 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.818 -1.737 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.469 -1.617 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.911 -2.428 0.015 1.00 0.00 H new ATOM 1345 N SER A 106 -8.932 -7.527 1.650 1.00 0.00 N ATOM 1346 CA SER A 106 -9.069 -8.398 2.774 1.00 0.00 C ATOM 1347 C SER A 106 -7.746 -8.561 3.562 1.00 0.00 C ATOM 1348 O SER A 106 -7.763 -8.890 4.741 1.00 0.00 O ATOM 1349 CB SER A 106 -9.699 -9.719 2.362 1.00 0.00 C ATOM 1350 OG SER A 106 -10.449 -10.298 3.414 1.00 0.00 O ATOM 0 H SER A 106 -8.715 -8.005 0.776 1.00 0.00 H new ATOM 0 HA SER A 106 -9.757 -7.930 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.347 -9.559 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.918 -10.412 2.049 1.00 0.00 H new ATOM 0 HG SER A 106 -10.967 -11.055 3.069 1.00 0.00 H new ATOM 1356 N SER A 107 -6.606 -8.384 2.890 1.00 0.00 N ATOM 1357 CA SER A 107 -5.294 -8.477 3.552 1.00 0.00 C ATOM 1358 C SER A 107 -4.273 -7.582 2.839 1.00 0.00 C ATOM 1359 O SER A 107 -4.451 -7.260 1.662 1.00 0.00 O ATOM 1360 CB SER A 107 -4.792 -9.940 3.634 1.00 0.00 C ATOM 1361 OG SER A 107 -4.658 -10.559 2.365 1.00 0.00 O ATOM 0 H SER A 107 -6.560 -8.176 1.892 1.00 0.00 H new ATOM 0 HA SER A 107 -5.412 -8.123 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.828 -9.958 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.485 -10.521 4.243 1.00 0.00 H new ATOM 0 HG SER A 107 -5.499 -11.002 2.127 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.224 -7.180 3.542 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.223 -6.261 2.999 1.00 0.00 C ATOM 1369 C ILE A 108 -0.839 -6.778 3.347 1.00 0.00 C ATOM 1370 O ILE A 108 -0.592 -7.110 4.496 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.355 -4.828 3.615 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.768 -4.276 3.435 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.330 -3.885 3.011 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.936 -2.894 3.995 1.00 0.00 C ATOM 0 H ILE A 108 -3.039 -7.477 4.500 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.378 -6.203 1.922 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.160 -4.907 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.014 -4.264 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.478 -4.947 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.441 -2.895 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.327 -4.262 3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.486 -3.820 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.961 -2.559 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.720 -2.906 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.249 -2.212 3.493 1.00 0.00 H new ATOM 1386 N LYS A 109 0.057 -6.827 2.389 1.00 0.00 N ATOM 1387 CA LYS A 109 1.402 -7.293 2.651 1.00 0.00 C ATOM 1388 C LYS A 109 2.366 -6.159 2.373 1.00 0.00 C ATOM 1389 O LYS A 109 2.250 -5.478 1.357 1.00 0.00 O ATOM 1390 CB LYS A 109 1.773 -8.497 1.783 1.00 0.00 C ATOM 1391 CG LYS A 109 3.001 -9.258 2.291 1.00 0.00 C ATOM 1392 CD LYS A 109 3.544 -10.253 1.268 1.00 0.00 C ATOM 1393 CE LYS A 109 2.491 -11.229 0.764 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.011 -12.100 -0.311 1.00 0.00 N ATOM 0 H LYS A 109 -0.119 -6.551 1.423 1.00 0.00 H new ATOM 0 HA LYS A 109 1.458 -7.610 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.924 -9.179 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.961 -8.157 0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.784 -8.545 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.741 -9.790 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.957 -9.705 0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.365 -10.813 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.142 -11.845 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.629 -10.673 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.261 -12.749 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.320 -11.515 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.817 -12.650 0.048 1.00 0.00 H new ATOM 1408 N ARG A 110 3.289 -5.944 3.264 1.00 0.00 N ATOM 1409 CA ARG A 110 4.233 -4.882 3.103 1.00 0.00 C ATOM 1410 C ARG A 110 5.555 -5.453 2.642 1.00 0.00 C ATOM 1411 O ARG A 110 6.098 -6.382 3.259 1.00 0.00 O ATOM 1412 CB ARG A 110 4.436 -4.128 4.414 1.00 0.00 C ATOM 1413 CG ARG A 110 5.335 -2.907 4.281 1.00 0.00 C ATOM 1414 CD ARG A 110 5.674 -2.307 5.634 1.00 0.00 C ATOM 1415 NE ARG A 110 6.492 -3.210 6.437 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.375 -2.829 7.356 1.00 0.00 C ATOM 1417 NH1 ARG A 110 7.429 -1.564 7.766 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.171 -3.725 7.902 1.00 0.00 N ATOM 0 H ARG A 110 3.407 -6.495 4.114 1.00 0.00 H new ATOM 0 HA ARG A 110 3.846 -4.184 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.465 -3.814 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.865 -4.807 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.254 -3.187 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.840 -2.157 3.664 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.205 -1.366 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.754 -2.076 6.170 1.00 0.00 H new ATOM 0 HE ARG A 110 6.378 -4.212 6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.788 -0.873 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.111 -1.285 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.108 -4.703 7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.851 -3.441 8.607 1.00 0.00 H new ATOM 1432 N CYS A 111 6.059 -4.914 1.594 1.00 0.00 N ATOM 1433 CA CYS A 111 7.302 -5.310 1.039 1.00 0.00 C ATOM 1434 C CYS A 111 8.172 -4.076 0.880 1.00 0.00 C ATOM 1435 O CYS A 111 7.725 -2.948 1.133 1.00 0.00 O ATOM 1436 CB CYS A 111 7.055 -5.994 -0.308 1.00 0.00 C ATOM 1437 SG CYS A 111 5.949 -7.457 -0.221 1.00 0.00 S ATOM 0 H CYS A 111 5.603 -4.160 1.081 1.00 0.00 H new ATOM 0 HA CYS A 111 7.813 -6.019 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.624 -5.268 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 111 8.013 -6.302 -0.727 1.00 0.00 H new ATOM 1442 N ILE A 112 9.396 -4.275 0.537 1.00 0.00 N ATOM 1443 CA ILE A 112 10.309 -3.203 0.297 1.00 0.00 C ATOM 1444 C ILE A 112 10.975 -3.432 -1.029 1.00 0.00 C ATOM 1445 O ILE A 112 11.214 -4.565 -1.411 1.00 0.00 O ATOM 1446 CB ILE A 112 11.386 -3.078 1.398 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.969 -4.446 1.722 1.00 0.00 C ATOM 1448 CG2 ILE A 112 10.813 -2.415 2.649 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.280 -4.396 2.443 1.00 0.00 C ATOM 0 H ILE A 112 9.802 -5.202 0.412 1.00 0.00 H new ATOM 0 HA ILE A 112 9.741 -2.272 0.300 1.00 0.00 H new ATOM 0 HB ILE A 112 12.189 -2.442 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.253 -5.000 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.098 -5.003 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.591 -2.339 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.451 -1.418 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.988 -3.015 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.628 -5.411 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.013 -3.872 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.155 -3.869 3.389 1.00 0.00 H new ATOM 1461 N GLN A 113 11.244 -2.391 -1.725 1.00 0.00 N ATOM 1462 CA GLN A 113 11.859 -2.484 -3.003 1.00 0.00 C ATOM 1463 C GLN A 113 13.162 -1.758 -2.946 1.00 0.00 C ATOM 1464 O GLN A 113 13.202 -0.581 -2.608 1.00 0.00 O ATOM 1465 CB GLN A 113 10.954 -1.917 -4.086 1.00 0.00 C ATOM 1466 CG GLN A 113 11.495 -2.111 -5.489 1.00 0.00 C ATOM 1467 CD GLN A 113 10.516 -1.694 -6.550 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.713 -0.784 -6.359 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.546 -2.376 -7.657 1.00 0.00 N ATOM 0 H GLN A 113 11.043 -1.438 -1.423 1.00 0.00 H new ATOM 0 HA GLN A 113 12.034 -3.529 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.975 -2.390 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.808 -0.852 -3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.414 -1.536 -5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.755 -3.160 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.229 -3.124 -7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.887 -2.162 -8.406 1.00 0.00 H new ATOM 1478 N THR A 114 14.209 -2.450 -3.246 1.00 0.00 N ATOM 1479 CA THR A 114 15.526 -1.905 -3.147 1.00 0.00 C ATOM 1480 C THR A 114 15.795 -0.944 -4.309 1.00 0.00 C ATOM 1481 O THR A 114 14.972 -0.829 -5.242 1.00 0.00 O ATOM 1482 CB THR A 114 16.562 -3.045 -3.152 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.533 -3.731 -4.418 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.253 -4.051 -2.044 1.00 0.00 C ATOM 0 H THR A 114 14.178 -3.417 -3.569 1.00 0.00 H new ATOM 0 HA THR A 114 15.609 -1.350 -2.213 1.00 0.00 H new ATOM 0 HB THR A 114 17.548 -2.610 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 114 17.366 -4.233 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.994 -4.850 -2.061 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.284 -3.548 -1.077 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.261 -4.473 -2.202 1.00 0.00 H new ATOM 1492 N LYS A 115 16.933 -0.274 -4.277 1.00 0.00 N ATOM 1493 CA LYS A 115 17.329 0.620 -5.348 1.00 0.00 C ATOM 1494 C LYS A 115 17.583 -0.178 -6.603 1.00 0.00 C ATOM 1495 O LYS A 115 17.365 0.291 -7.725 1.00 0.00 O ATOM 1496 CB LYS A 115 18.570 1.386 -4.964 1.00 0.00 C ATOM 1497 CG LYS A 115 19.007 2.352 -6.045 1.00 0.00 C ATOM 1498 CD LYS A 115 20.160 3.192 -5.614 1.00 0.00 C ATOM 1499 CE LYS A 115 19.773 4.133 -4.476 1.00 0.00 C ATOM 1500 NZ LYS A 115 20.907 4.957 -4.026 1.00 0.00 N ATOM 0 H LYS A 115 17.605 -0.334 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 115 16.525 1.334 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.384 1.936 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.378 0.684 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.281 1.794 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.170 2.997 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.980 2.549 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 115 20.524 3.774 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.962 4.783 -4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.395 3.549 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.598 5.580 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 21.672 4.339 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 21.253 5.534 -4.819 1.00 0.00 H new ATOM 1514 N ASP A 116 17.974 -1.416 -6.399 1.00 0.00 N ATOM 1515 CA ASP A 116 18.251 -2.323 -7.484 1.00 0.00 C ATOM 1516 C ASP A 116 16.954 -2.844 -8.080 1.00 0.00 C ATOM 1517 O ASP A 116 16.959 -3.523 -9.105 1.00 0.00 O ATOM 1518 CB ASP A 116 19.112 -3.482 -7.004 1.00 0.00 C ATOM 1519 CG ASP A 116 20.501 -3.057 -6.598 1.00 0.00 C ATOM 1520 OD1 ASP A 116 21.420 -3.115 -7.439 1.00 0.00 O ATOM 1521 OD2 ASP A 116 20.703 -2.660 -5.425 1.00 0.00 O ATOM 0 H ASP A 116 18.108 -1.821 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 116 18.798 -1.781 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 116 18.623 -3.964 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 116 19.183 -4.227 -7.797 1.00 0.00 H new ATOM 1526 N GLY A 117 15.851 -2.513 -7.437 1.00 0.00 N ATOM 1527 CA GLY A 117 14.547 -2.787 -7.978 1.00 0.00 C ATOM 1528 C GLY A 117 13.886 -4.042 -7.474 1.00 0.00 C ATOM 1529 O GLY A 117 12.737 -4.298 -7.834 1.00 0.00 O ATOM 0 H GLY A 117 15.840 -2.049 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.896 -1.941 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.629 -2.851 -9.063 1.00 0.00 H new ATOM 1533 N LYS A 118 14.539 -4.804 -6.623 1.00 0.00 N ATOM 1534 CA LYS A 118 13.923 -6.046 -6.178 1.00 0.00 C ATOM 1535 C LYS A 118 12.971 -5.795 -5.030 1.00 0.00 C ATOM 1536 O LYS A 118 13.244 -4.969 -4.152 1.00 0.00 O ATOM 1537 CB LYS A 118 14.943 -7.118 -5.792 1.00 0.00 C ATOM 1538 CG LYS A 118 15.797 -6.801 -4.579 1.00 0.00 C ATOM 1539 CD LYS A 118 16.559 -8.029 -4.102 1.00 0.00 C ATOM 1540 CE LYS A 118 17.439 -8.607 -5.191 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.088 -9.859 -4.779 1.00 0.00 N ATOM 0 H LYS A 118 15.460 -4.602 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 118 13.366 -6.431 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.411 -8.051 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.602 -7.291 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.501 -6.006 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.164 -6.428 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.173 -7.763 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.852 -8.787 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 118 16.838 -8.788 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.202 -7.878 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.679 -10.216 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.683 -9.683 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 17.362 -10.565 -4.544 1.00 0.00 H new ATOM 1555 N VAL A 119 11.863 -6.481 -5.043 1.00 0.00 N ATOM 1556 CA VAL A 119 10.886 -6.329 -4.001 1.00 0.00 C ATOM 1557 C VAL A 119 11.002 -7.502 -3.035 1.00 0.00 C ATOM 1558 O VAL A 119 10.745 -8.656 -3.400 1.00 0.00 O ATOM 1559 CB VAL A 119 9.433 -6.237 -4.558 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.458 -5.858 -3.459 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.339 -5.244 -5.704 1.00 0.00 C ATOM 0 H VAL A 119 11.613 -7.154 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 119 11.088 -5.390 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 119 9.167 -7.223 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.450 -5.800 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.485 -6.612 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.737 -4.890 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.312 -5.205 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.638 -4.256 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.999 -5.558 -6.512 1.00 0.00 H new ATOM 1571 N GLU A 120 11.436 -7.204 -1.845 1.00 0.00 N ATOM 1572 CA GLU A 120 11.602 -8.161 -0.777 1.00 0.00 C ATOM 1573 C GLU A 120 10.401 -8.061 0.140 1.00 0.00 C ATOM 1574 O GLU A 120 9.913 -6.960 0.387 1.00 0.00 O ATOM 1575 CB GLU A 120 12.872 -7.836 0.007 1.00 0.00 C ATOM 1576 CG GLU A 120 14.164 -8.005 -0.774 1.00 0.00 C ATOM 1577 CD GLU A 120 14.496 -9.450 -1.022 1.00 0.00 C ATOM 1578 OE1 GLU A 120 14.088 -10.014 -2.053 1.00 0.00 O ATOM 1579 OE2 GLU A 120 15.180 -10.061 -0.175 1.00 0.00 O ATOM 0 H GLU A 120 11.695 -6.255 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 120 11.684 -9.169 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.810 -6.807 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.911 -8.475 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.080 -7.485 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.981 -7.536 -0.226 1.00 0.00 H new ATOM 1586 N CYS A 121 9.961 -9.156 0.693 1.00 0.00 N ATOM 1587 CA CYS A 121 8.750 -9.140 1.488 1.00 0.00 C ATOM 1588 C CYS A 121 8.958 -9.801 2.833 1.00 0.00 C ATOM 1589 O CYS A 121 9.821 -10.668 2.987 1.00 0.00 O ATOM 1590 CB CYS A 121 7.600 -9.827 0.731 1.00 0.00 C ATOM 1591 SG CYS A 121 7.115 -9.004 -0.828 1.00 0.00 S ATOM 0 H CYS A 121 10.413 -10.067 0.614 1.00 0.00 H new ATOM 0 HA CYS A 121 8.487 -8.097 1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.891 -10.854 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.730 -9.877 1.386 1.00 0.00 H new