USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=30 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 28 GLN : amide:sc= 0.973 K(o=2.1,f=-1) USER MOD Set 1.2: A 30 TYR OH : rot 66:sc= 1.14 USER MOD Single : A 25 TYR OH : rot -137:sc= 1.1 USER MOD Single : A 26 CYS SG : rot -108:sc= 1.51 USER MOD Single : A 33 THR OG1 : rot 84:sc= 1.69 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 -140:sc= 1.23 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc=-0.00577 (180deg=-0.106) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0166 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 55:sc= 0.00926 USER MOD Single : A 57 SER OG : rot -66:sc= 0.862 USER MOD Single : A 64 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 67 LYS NZ :NH3+ 148:sc= 1.25 (180deg=0.911) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 98:sc= 0.0123 USER MOD Single : A 78 ASN : amide:sc= -0.311 K(o=-0.31,f=-0.99) USER MOD Single : A 80 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -59:sc= 0.993 USER MOD Single : A 86 THR OG1 : rot 112:sc= 0.945 USER MOD Single : A 90 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-0.53) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -170:sc= -0.418 USER MOD Single : A 103 LYS NZ :NH3+ 171:sc= -0.007 (180deg=-0.0798) USER MOD Single : A 106 SER OG : rot 160:sc= -0.0704 USER MOD Single : A 107 SER OG : rot -90:sc= 1.17 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 1.09 K(o=1.1,f=-0.19) USER MOD Single : A 114 THR OG1 : rot -20:sc= -1.18 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 7.163 5.180 5.125 1.00 0.00 N ATOM 76 CA TYR A 25 6.849 3.736 5.043 1.00 0.00 C ATOM 77 C TYR A 25 5.450 3.461 5.563 1.00 0.00 C ATOM 78 O TYR A 25 5.229 2.567 6.384 1.00 0.00 O ATOM 79 CB TYR A 25 7.898 2.867 5.797 1.00 0.00 C ATOM 80 CG TYR A 25 9.294 2.867 5.195 1.00 0.00 C ATOM 81 CD1 TYR A 25 10.036 4.035 5.087 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.872 1.689 4.753 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.304 4.031 4.564 1.00 0.00 C ATOM 84 CE2 TYR A 25 11.141 1.673 4.217 1.00 0.00 C ATOM 85 CZ TYR A 25 11.855 2.853 4.126 1.00 0.00 C ATOM 86 OH TYR A 25 13.133 2.858 3.630 1.00 0.00 O ATOM 0 HA TYR A 25 6.892 3.454 3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.964 3.218 6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.536 1.840 5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.606 4.967 5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.318 0.765 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.866 4.951 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.574 0.746 3.871 1.00 0.00 H new ATOM 0 HH TYR A 25 13.173 2.304 2.823 1.00 0.00 H new ATOM 96 N CYS A 26 4.509 4.221 5.073 1.00 0.00 N ATOM 97 CA CYS A 26 3.147 4.096 5.502 1.00 0.00 C ATOM 98 C CYS A 26 2.259 3.963 4.279 1.00 0.00 C ATOM 99 O CYS A 26 2.561 4.534 3.237 1.00 0.00 O ATOM 100 CB CYS A 26 2.760 5.345 6.297 1.00 0.00 C ATOM 101 SG CYS A 26 3.998 5.800 7.567 1.00 0.00 S ATOM 0 H CYS A 26 4.666 4.941 4.368 1.00 0.00 H new ATOM 0 HA CYS A 26 3.026 3.216 6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.630 6.180 5.609 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.797 5.177 6.780 1.00 0.00 H new ATOM 0 HG CYS A 26 3.526 5.533 8.748 1.00 0.00 H new ATOM 106 N LEU A 27 1.213 3.198 4.401 1.00 0.00 N ATOM 107 CA LEU A 27 0.248 3.016 3.342 1.00 0.00 C ATOM 108 C LEU A 27 -0.986 3.791 3.716 1.00 0.00 C ATOM 109 O LEU A 27 -1.478 3.652 4.836 1.00 0.00 O ATOM 110 CB LEU A 27 -0.084 1.520 3.197 1.00 0.00 C ATOM 111 CG LEU A 27 -1.065 1.095 2.109 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.576 1.495 0.742 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.249 -0.385 2.158 1.00 0.00 C ATOM 0 H LEU A 27 0.998 2.673 5.249 1.00 0.00 H new ATOM 0 HA LEU A 27 0.642 3.371 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.852 0.988 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.478 1.174 4.152 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.015 1.598 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.298 1.177 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.460 2.578 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.385 1.020 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.950 -0.690 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.290 -0.876 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.642 -0.671 3.134 1.00 0.00 H new ATOM 125 N GLN A 28 -1.456 4.638 2.839 1.00 0.00 N ATOM 126 CA GLN A 28 -2.638 5.399 3.140 1.00 0.00 C ATOM 127 C GLN A 28 -3.737 5.002 2.216 1.00 0.00 C ATOM 128 O GLN A 28 -3.579 5.030 0.980 1.00 0.00 O ATOM 129 CB GLN A 28 -2.368 6.881 2.986 1.00 0.00 C ATOM 130 CG GLN A 28 -1.318 7.414 3.925 1.00 0.00 C ATOM 131 CD GLN A 28 -0.901 8.818 3.566 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.685 9.599 3.015 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.316 9.159 3.870 1.00 0.00 N ATOM 0 H GLN A 28 -1.045 4.817 1.923 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.929 5.197 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.057 7.078 1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.297 7.428 3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.702 7.399 4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.446 6.760 3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.935 8.488 4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.652 10.098 3.654 1.00 0.00 H new ATOM 142 N LEU A 29 -4.826 4.616 2.787 1.00 0.00 N ATOM 143 CA LEU A 29 -5.977 4.276 2.030 1.00 0.00 C ATOM 144 C LEU A 29 -7.030 5.323 2.236 1.00 0.00 C ATOM 145 O LEU A 29 -7.411 5.604 3.376 1.00 0.00 O ATOM 146 CB LEU A 29 -6.468 2.875 2.351 1.00 0.00 C ATOM 147 CG LEU A 29 -5.408 1.773 2.193 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.781 1.385 3.513 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.957 0.578 1.496 1.00 0.00 C ATOM 0 H LEU A 29 -4.942 4.528 3.797 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.720 4.257 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.838 2.860 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.313 2.643 1.703 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.618 2.193 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.039 0.604 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.298 2.256 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.553 1.015 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.178 -0.179 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.790 0.173 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.305 0.864 0.503 1.00 0.00 H new ATOM 161 N TYR A 30 -7.480 5.894 1.164 1.00 0.00 N ATOM 162 CA TYR A 30 -8.406 7.001 1.195 1.00 0.00 C ATOM 163 C TYR A 30 -9.808 6.518 1.055 1.00 0.00 C ATOM 164 O TYR A 30 -10.049 5.493 0.424 1.00 0.00 O ATOM 165 CB TYR A 30 -8.089 7.961 0.067 1.00 0.00 C ATOM 166 CG TYR A 30 -6.691 8.500 0.149 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.401 9.607 0.915 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.652 7.863 -0.508 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.102 10.071 1.031 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.365 8.316 -0.410 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.087 9.414 0.362 1.00 0.00 C ATOM 172 OH TYR A 30 -2.786 9.851 0.476 1.00 0.00 O ATOM 0 H TYR A 30 -7.215 5.605 0.222 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.305 7.511 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.224 7.452 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.797 8.790 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.198 10.120 1.432 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.862 6.991 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.884 10.937 1.638 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.571 7.810 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.479 9.727 1.398 1.00 0.00 H new ATOM 182 N ASP A 31 -10.732 7.256 1.609 1.00 0.00 N ATOM 183 CA ASP A 31 -12.123 6.866 1.566 1.00 0.00 C ATOM 184 C ASP A 31 -12.693 7.101 0.189 1.00 0.00 C ATOM 185 O ASP A 31 -13.434 6.269 -0.346 1.00 0.00 O ATOM 186 CB ASP A 31 -12.954 7.602 2.622 1.00 0.00 C ATOM 187 CG ASP A 31 -14.409 7.157 2.642 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.746 6.209 3.397 1.00 0.00 O ATOM 189 OD2 ASP A 31 -15.243 7.755 1.940 1.00 0.00 O ATOM 0 H ASP A 31 -10.550 8.133 2.097 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.173 5.801 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.514 7.435 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.909 8.674 2.431 1.00 0.00 H new ATOM 194 N GLU A 32 -12.288 8.185 -0.409 1.00 0.00 N ATOM 195 CA GLU A 32 -12.769 8.544 -1.706 1.00 0.00 C ATOM 196 C GLU A 32 -11.667 8.344 -2.710 1.00 0.00 C ATOM 197 O GLU A 32 -10.551 7.944 -2.347 1.00 0.00 O ATOM 198 CB GLU A 32 -13.253 9.986 -1.736 1.00 0.00 C ATOM 199 CG GLU A 32 -14.408 10.295 -0.809 1.00 0.00 C ATOM 200 CD GLU A 32 -14.862 11.732 -0.919 1.00 0.00 C ATOM 201 OE1 GLU A 32 -15.749 12.018 -1.742 1.00 0.00 O ATOM 202 OE2 GLU A 32 -14.336 12.610 -0.200 1.00 0.00 O ATOM 0 H GLU A 32 -11.617 8.841 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.618 7.907 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.418 10.639 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.550 10.232 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.243 9.634 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.112 10.087 0.219 1.00 0.00 H new ATOM 209 N THR A 33 -11.954 8.592 -3.951 1.00 0.00 N ATOM 210 CA THR A 33 -10.991 8.439 -4.984 1.00 0.00 C ATOM 211 C THR A 33 -10.073 9.673 -5.033 1.00 0.00 C ATOM 212 O THR A 33 -10.321 10.644 -4.322 1.00 0.00 O ATOM 213 CB THR A 33 -11.728 8.224 -6.316 1.00 0.00 C ATOM 214 OG1 THR A 33 -12.855 9.105 -6.362 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.225 6.799 -6.436 1.00 0.00 C ATOM 0 H THR A 33 -12.869 8.908 -4.272 1.00 0.00 H new ATOM 0 HA THR A 33 -10.359 7.572 -4.791 1.00 0.00 H new ATOM 0 HB THR A 33 -11.038 8.426 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.569 9.986 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.743 6.673 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.379 6.113 -6.390 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.912 6.583 -5.618 1.00 0.00 H new ATOM 223 N TYR A 34 -8.993 9.606 -5.830 1.00 0.00 N ATOM 224 CA TYR A 34 -8.032 10.728 -6.047 1.00 0.00 C ATOM 225 C TYR A 34 -7.564 11.441 -4.757 1.00 0.00 C ATOM 226 O TYR A 34 -7.477 12.678 -4.710 1.00 0.00 O ATOM 227 CB TYR A 34 -8.497 11.718 -7.169 1.00 0.00 C ATOM 228 CG TYR A 34 -9.908 12.271 -7.026 1.00 0.00 C ATOM 229 CD1 TYR A 34 -10.145 13.503 -6.454 1.00 0.00 C ATOM 230 CD2 TYR A 34 -10.997 11.540 -7.461 1.00 0.00 C ATOM 231 CE1 TYR A 34 -11.424 13.993 -6.321 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.270 12.006 -7.327 1.00 0.00 C ATOM 233 CZ TYR A 34 -12.486 13.238 -6.756 1.00 0.00 C ATOM 234 OH TYR A 34 -13.765 13.728 -6.639 1.00 0.00 O ATOM 0 H TYR A 34 -8.750 8.765 -6.353 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.129 10.245 -6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.801 12.556 -7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.423 11.208 -8.130 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.312 14.094 -6.104 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.835 10.575 -7.919 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.592 14.964 -5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.105 11.411 -7.667 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.400 13.072 -6.994 1.00 0.00 H new ATOM 244 N GLU A 35 -7.274 10.636 -3.716 1.00 0.00 N ATOM 245 CA GLU A 35 -6.765 11.112 -2.411 1.00 0.00 C ATOM 246 C GLU A 35 -7.805 11.951 -1.652 1.00 0.00 C ATOM 247 O GLU A 35 -7.470 12.690 -0.716 1.00 0.00 O ATOM 248 CB GLU A 35 -5.445 11.901 -2.574 1.00 0.00 C ATOM 249 CG GLU A 35 -4.269 11.075 -3.084 1.00 0.00 C ATOM 250 CD GLU A 35 -3.021 11.907 -3.289 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.600 12.093 -4.447 1.00 0.00 O ATOM 252 OE2 GLU A 35 -2.446 12.408 -2.297 1.00 0.00 O ATOM 0 H GLU A 35 -7.388 9.623 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.563 10.223 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.615 12.729 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.176 12.336 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.056 10.275 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.544 10.600 -4.026 1.00 0.00 H new ATOM 259 N ARG A 36 -9.056 11.769 -1.990 1.00 0.00 N ATOM 260 CA ARG A 36 -10.135 12.461 -1.326 1.00 0.00 C ATOM 261 C ARG A 36 -10.629 11.697 -0.102 1.00 0.00 C ATOM 262 O ARG A 36 -10.418 10.475 0.033 1.00 0.00 O ATOM 263 CB ARG A 36 -11.297 12.719 -2.289 1.00 0.00 C ATOM 264 CG ARG A 36 -11.281 14.050 -3.009 1.00 0.00 C ATOM 265 CD ARG A 36 -11.505 15.190 -2.037 1.00 0.00 C ATOM 266 NE ARG A 36 -12.672 14.926 -1.163 1.00 0.00 N ATOM 267 CZ ARG A 36 -13.056 15.662 -0.119 1.00 0.00 C ATOM 268 NH1 ARG A 36 -12.437 16.795 0.184 1.00 0.00 N ATOM 269 NH2 ARG A 36 -14.061 15.245 0.617 1.00 0.00 N ATOM 0 H ARG A 36 -9.357 11.138 -2.733 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.739 13.419 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.307 11.925 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.230 12.642 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.326 14.182 -3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.055 14.063 -3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.614 15.331 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.663 16.117 -2.589 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.235 14.104 -1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.654 17.116 -0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.744 17.345 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.534 14.371 0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.368 15.795 1.419 1.00 0.00 H new ATOM 283 N GLY A 37 -11.282 12.418 0.774 1.00 0.00 N ATOM 284 CA GLY A 37 -11.836 11.848 1.960 1.00 0.00 C ATOM 285 C GLY A 37 -10.805 11.688 3.022 1.00 0.00 C ATOM 286 O GLY A 37 -9.718 12.282 2.941 1.00 0.00 O ATOM 0 H GLY A 37 -11.441 13.421 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.643 12.482 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.274 10.877 1.728 1.00 0.00 H new ATOM 290 N SER A 38 -11.124 10.930 4.017 1.00 0.00 N ATOM 291 CA SER A 38 -10.200 10.663 5.063 1.00 0.00 C ATOM 292 C SER A 38 -9.359 9.468 4.657 1.00 0.00 C ATOM 293 O SER A 38 -9.647 8.820 3.639 1.00 0.00 O ATOM 294 CB SER A 38 -10.963 10.392 6.340 1.00 0.00 C ATOM 295 OG SER A 38 -11.921 11.421 6.545 1.00 0.00 O ATOM 0 H SER A 38 -12.032 10.479 4.126 1.00 0.00 H new ATOM 0 HA SER A 38 -9.543 11.515 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.460 9.424 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.276 10.346 7.185 1.00 0.00 H new ATOM 0 HG SER A 38 -12.418 11.246 7.372 1.00 0.00 H new ATOM 301 N TYR A 39 -8.353 9.175 5.412 1.00 0.00 N ATOM 302 CA TYR A 39 -7.462 8.111 5.080 1.00 0.00 C ATOM 303 C TYR A 39 -6.975 7.479 6.340 1.00 0.00 C ATOM 304 O TYR A 39 -7.098 8.059 7.417 1.00 0.00 O ATOM 305 CB TYR A 39 -6.268 8.644 4.259 1.00 0.00 C ATOM 306 CG TYR A 39 -5.379 9.612 5.011 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.108 9.245 5.406 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.825 10.878 5.342 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.303 10.110 6.109 1.00 0.00 C ATOM 310 CE2 TYR A 39 -5.038 11.748 6.039 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.773 11.367 6.425 1.00 0.00 C ATOM 312 OH TYR A 39 -2.983 12.244 7.142 1.00 0.00 O ATOM 0 H TYR A 39 -8.124 9.666 6.277 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.989 7.372 4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.665 7.799 3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.648 9.137 3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.739 8.261 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.816 11.185 5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.311 9.807 6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.407 12.732 6.287 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.467 13.085 7.277 1.00 0.00 H new ATOM 322 N ILE A 40 -6.431 6.333 6.211 1.00 0.00 N ATOM 323 CA ILE A 40 -5.890 5.619 7.324 1.00 0.00 C ATOM 324 C ILE A 40 -4.392 5.509 7.108 1.00 0.00 C ATOM 325 O ILE A 40 -3.928 5.564 5.958 1.00 0.00 O ATOM 326 CB ILE A 40 -6.511 4.190 7.407 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.054 3.451 8.680 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.151 3.388 6.159 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.640 2.064 8.840 1.00 0.00 C ATOM 0 H ILE A 40 -6.342 5.846 5.319 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.115 6.142 8.253 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.595 4.294 7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.967 3.374 8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.324 4.049 9.550 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.589 2.392 6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.539 3.896 5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.067 3.303 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.267 1.615 9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.727 2.131 8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.349 1.446 7.991 1.00 0.00 H new ATOM 341 N GLU A 41 -3.643 5.412 8.164 1.00 0.00 N ATOM 342 CA GLU A 41 -2.244 5.184 8.037 1.00 0.00 C ATOM 343 C GLU A 41 -1.965 3.770 8.441 1.00 0.00 C ATOM 344 O GLU A 41 -2.309 3.335 9.546 1.00 0.00 O ATOM 345 CB GLU A 41 -1.463 6.121 8.934 1.00 0.00 C ATOM 346 CG GLU A 41 -1.488 7.572 8.517 1.00 0.00 C ATOM 347 CD GLU A 41 -0.937 8.453 9.589 1.00 0.00 C ATOM 348 OE1 GLU A 41 -1.736 9.100 10.310 1.00 0.00 O ATOM 349 OE2 GLU A 41 0.275 8.464 9.799 1.00 0.00 O ATOM 0 H GLU A 41 -3.982 5.488 9.123 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.940 5.363 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.857 6.043 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.426 5.786 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.907 7.700 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.511 7.870 8.289 1.00 0.00 H new ATOM 356 N VAL A 42 -1.348 3.066 7.575 1.00 0.00 N ATOM 357 CA VAL A 42 -0.980 1.725 7.833 1.00 0.00 C ATOM 358 C VAL A 42 0.510 1.674 7.840 1.00 0.00 C ATOM 359 O VAL A 42 1.153 2.236 6.960 1.00 0.00 O ATOM 360 CB VAL A 42 -1.559 0.794 6.751 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.145 -0.640 6.963 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.067 0.904 6.704 1.00 0.00 C ATOM 0 H VAL A 42 -1.079 3.406 6.652 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.376 1.388 8.791 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.151 1.117 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.575 -1.263 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.058 -0.714 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.503 -0.982 7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.457 0.239 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.483 0.622 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.350 1.931 6.473 1.00 0.00 H new ATOM 372 N TYR A 43 1.053 1.043 8.825 1.00 0.00 N ATOM 373 CA TYR A 43 2.482 0.994 8.972 1.00 0.00 C ATOM 374 C TYR A 43 2.974 -0.431 8.800 1.00 0.00 C ATOM 375 O TYR A 43 4.044 -0.672 8.257 1.00 0.00 O ATOM 376 CB TYR A 43 2.869 1.521 10.359 1.00 0.00 C ATOM 377 CG TYR A 43 2.273 2.886 10.702 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.117 2.984 11.459 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.865 4.062 10.279 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.568 4.208 11.787 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.319 5.297 10.599 1.00 0.00 C ATOM 382 CZ TYR A 43 1.174 5.360 11.352 1.00 0.00 C ATOM 383 OH TYR A 43 0.635 6.591 11.689 1.00 0.00 O ATOM 0 H TYR A 43 0.532 0.548 9.549 1.00 0.00 H new ATOM 0 HA TYR A 43 2.946 1.617 8.207 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.550 0.799 11.111 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.955 1.586 10.420 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.633 2.081 11.801 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.769 4.018 9.689 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.332 4.258 12.382 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.793 6.205 10.257 1.00 0.00 H new ATOM 0 HH TYR A 43 0.691 7.194 10.919 1.00 0.00 H new ATOM 393 N LYS A 44 2.159 -1.363 9.216 1.00 0.00 N ATOM 394 CA LYS A 44 2.497 -2.770 9.197 1.00 0.00 C ATOM 395 C LYS A 44 1.505 -3.569 8.353 1.00 0.00 C ATOM 396 O LYS A 44 0.424 -3.083 8.057 1.00 0.00 O ATOM 397 CB LYS A 44 2.668 -3.342 10.638 1.00 0.00 C ATOM 398 CG LYS A 44 1.653 -2.924 11.669 1.00 0.00 C ATOM 399 CD LYS A 44 0.250 -3.243 11.285 1.00 0.00 C ATOM 400 CE LYS A 44 -0.638 -2.953 12.428 1.00 0.00 C ATOM 401 NZ LYS A 44 -0.599 -4.009 13.453 1.00 0.00 N ATOM 0 H LYS A 44 1.228 -1.169 9.584 1.00 0.00 H new ATOM 0 HA LYS A 44 3.468 -2.874 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.656 -4.430 10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.655 -3.056 11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.883 -3.416 12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.740 -1.851 11.838 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.047 -2.653 10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.167 -4.292 11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.348 -2.003 12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.661 -2.837 12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.397 -3.886 14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.667 -4.940 12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.295 -3.948 13.981 1.00 0.00 H new ATOM 415 N SER A 45 1.879 -4.759 7.972 1.00 0.00 N ATOM 416 CA SER A 45 1.049 -5.605 7.140 1.00 0.00 C ATOM 417 C SER A 45 -0.119 -6.214 7.930 1.00 0.00 C ATOM 418 O SER A 45 -0.055 -6.359 9.161 1.00 0.00 O ATOM 419 CB SER A 45 1.920 -6.698 6.517 1.00 0.00 C ATOM 420 OG SER A 45 2.724 -7.341 7.506 1.00 0.00 O ATOM 0 H SER A 45 2.773 -5.178 8.228 1.00 0.00 H new ATOM 0 HA SER A 45 0.607 -4.996 6.351 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.286 -7.435 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.561 -6.263 5.750 1.00 0.00 H new ATOM 0 HG SER A 45 3.270 -8.036 7.083 1.00 0.00 H new ATOM 426 N VAL A 46 -1.198 -6.489 7.249 1.00 0.00 N ATOM 427 CA VAL A 46 -2.321 -7.136 7.848 1.00 0.00 C ATOM 428 C VAL A 46 -2.642 -8.425 7.082 1.00 0.00 C ATOM 429 O VAL A 46 -2.788 -8.408 5.857 1.00 0.00 O ATOM 430 CB VAL A 46 -3.568 -6.208 7.935 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.113 -5.851 6.573 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.623 -6.826 8.823 1.00 0.00 C ATOM 0 H VAL A 46 -1.318 -6.268 6.261 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.055 -7.384 8.875 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.252 -5.268 8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.982 -5.203 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.346 -5.332 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.406 -6.761 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.488 -6.165 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.925 -7.789 8.412 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.217 -6.970 9.824 1.00 0.00 H new ATOM 442 N GLY A 47 -2.745 -9.524 7.771 1.00 0.00 N ATOM 443 CA GLY A 47 -3.040 -10.759 7.091 1.00 0.00 C ATOM 444 C GLY A 47 -4.525 -11.018 6.958 1.00 0.00 C ATOM 445 O GLY A 47 -4.945 -11.876 6.167 1.00 0.00 O ATOM 0 H GLY A 47 -2.633 -9.595 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.590 -10.738 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.579 -11.585 7.633 1.00 0.00 H new ATOM 449 N SER A 48 -5.326 -10.284 7.707 1.00 0.00 N ATOM 450 CA SER A 48 -6.760 -10.435 7.651 1.00 0.00 C ATOM 451 C SER A 48 -7.485 -9.212 8.201 1.00 0.00 C ATOM 452 O SER A 48 -7.195 -8.743 9.300 1.00 0.00 O ATOM 453 CB SER A 48 -7.204 -11.726 8.370 1.00 0.00 C ATOM 454 OG SER A 48 -6.650 -11.821 9.679 1.00 0.00 O ATOM 0 H SER A 48 -5.001 -9.574 8.364 1.00 0.00 H new ATOM 0 HA SER A 48 -7.040 -10.520 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.292 -11.751 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.899 -12.592 7.783 1.00 0.00 H new ATOM 0 HG SER A 48 -6.955 -12.650 10.104 1.00 0.00 H new ATOM 460 N LEU A 49 -8.363 -8.679 7.403 1.00 0.00 N ATOM 461 CA LEU A 49 -9.208 -7.575 7.766 1.00 0.00 C ATOM 462 C LEU A 49 -10.624 -8.046 7.745 1.00 0.00 C ATOM 463 O LEU A 49 -11.104 -8.545 6.720 1.00 0.00 O ATOM 464 CB LEU A 49 -9.052 -6.467 6.733 1.00 0.00 C ATOM 465 CG LEU A 49 -7.687 -5.822 6.670 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.569 -4.964 5.432 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.469 -4.986 7.905 1.00 0.00 C ATOM 0 H LEU A 49 -8.517 -9.010 6.451 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.938 -7.202 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.287 -6.875 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.791 -5.693 6.942 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.925 -6.600 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.581 -4.506 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.711 -5.582 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.330 -4.184 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.484 -4.520 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.234 -4.212 7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.530 -5.620 8.789 1.00 0.00 H new ATOM 479 N SER A 50 -11.260 -7.985 8.863 1.00 0.00 N ATOM 480 CA SER A 50 -12.645 -8.290 8.950 1.00 0.00 C ATOM 481 C SER A 50 -13.346 -7.193 9.754 1.00 0.00 C ATOM 482 O SER A 50 -13.076 -7.036 10.958 1.00 0.00 O ATOM 483 CB SER A 50 -12.853 -9.666 9.543 1.00 0.00 C ATOM 484 OG SER A 50 -12.093 -10.624 8.809 1.00 0.00 O ATOM 0 H SER A 50 -10.830 -7.720 9.749 1.00 0.00 H new ATOM 0 HA SER A 50 -13.086 -8.316 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.550 -9.671 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.911 -9.928 9.516 1.00 0.00 H new ATOM 0 HG SER A 50 -12.228 -11.514 9.196 1.00 0.00 H new ATOM 490 N PRO A 51 -14.188 -6.381 9.117 1.00 0.00 N ATOM 491 CA PRO A 51 -14.487 -6.503 7.690 1.00 0.00 C ATOM 492 C PRO A 51 -13.342 -5.939 6.824 1.00 0.00 C ATOM 493 O PRO A 51 -12.478 -5.206 7.335 1.00 0.00 O ATOM 494 CB PRO A 51 -15.748 -5.650 7.525 1.00 0.00 C ATOM 495 CG PRO A 51 -15.632 -4.605 8.577 1.00 0.00 C ATOM 496 CD PRO A 51 -14.907 -5.248 9.732 1.00 0.00 C ATOM 0 HA PRO A 51 -14.614 -7.539 7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.800 -5.207 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.651 -6.247 7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.083 -3.739 8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.616 -4.251 8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.219 -4.550 10.209 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.602 -5.586 10.501 1.00 0.00 H new ATOM 504 N PRO A 52 -13.290 -6.302 5.539 1.00 0.00 N ATOM 505 CA PRO A 52 -12.264 -5.797 4.623 1.00 0.00 C ATOM 506 C PRO A 52 -12.383 -4.285 4.446 1.00 0.00 C ATOM 507 O PRO A 52 -13.455 -3.701 4.671 1.00 0.00 O ATOM 508 CB PRO A 52 -12.570 -6.516 3.299 1.00 0.00 C ATOM 509 CG PRO A 52 -13.985 -6.953 3.414 1.00 0.00 C ATOM 510 CD PRO A 52 -14.213 -7.238 4.867 1.00 0.00 C ATOM 0 HA PRO A 52 -11.253 -5.981 4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.431 -5.850 2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.905 -7.367 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.663 -6.177 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.170 -7.841 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.249 -7.060 5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.987 -8.275 5.115 1.00 0.00 H new ATOM 518 N TRP A 53 -11.322 -3.658 4.038 1.00 0.00 N ATOM 519 CA TRP A 53 -11.338 -2.226 3.858 1.00 0.00 C ATOM 520 C TRP A 53 -11.756 -1.916 2.470 1.00 0.00 C ATOM 521 O TRP A 53 -11.341 -2.591 1.537 1.00 0.00 O ATOM 522 CB TRP A 53 -9.966 -1.599 4.121 1.00 0.00 C ATOM 523 CG TRP A 53 -9.525 -1.658 5.552 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.317 -1.821 6.650 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.188 -1.532 6.042 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.557 -1.817 7.785 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.246 -1.638 7.445 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.946 -1.348 5.433 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.110 -1.565 8.246 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.820 -1.280 6.227 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.908 -1.388 7.619 1.00 0.00 C ATOM 0 H TRP A 53 -10.433 -4.108 3.822 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.041 -1.806 4.577 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.224 -2.105 3.503 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -9.989 -0.557 3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.391 -1.937 6.626 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.912 -1.930 8.735 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.868 -1.260 4.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.176 -1.645 9.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.853 -1.141 5.766 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.007 -1.330 8.211 1.00 0.00 H new ATOM 542 N THR A 54 -12.572 -0.920 2.326 1.00 0.00 N ATOM 543 CA THR A 54 -13.056 -0.524 1.044 1.00 0.00 C ATOM 544 C THR A 54 -12.677 0.933 0.724 1.00 0.00 C ATOM 545 O THR A 54 -13.488 1.856 0.903 1.00 0.00 O ATOM 546 CB THR A 54 -14.572 -0.740 0.971 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.179 -0.257 2.194 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.891 -2.216 0.793 1.00 0.00 C ATOM 0 H THR A 54 -12.923 -0.356 3.100 1.00 0.00 H new ATOM 0 HA THR A 54 -12.581 -1.146 0.286 1.00 0.00 H new ATOM 0 HB THR A 54 -14.969 -0.193 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.920 0.677 2.341 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.971 -2.351 0.743 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.437 -2.578 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.494 -2.779 1.638 1.00 0.00 H new ATOM 556 N PRO A 55 -11.405 1.172 0.357 1.00 0.00 N ATOM 557 CA PRO A 55 -10.924 2.494 0.009 1.00 0.00 C ATOM 558 C PRO A 55 -11.336 2.935 -1.394 1.00 0.00 C ATOM 559 O PRO A 55 -11.673 2.114 -2.262 1.00 0.00 O ATOM 560 CB PRO A 55 -9.412 2.339 0.083 1.00 0.00 C ATOM 561 CG PRO A 55 -9.178 0.935 -0.306 1.00 0.00 C ATOM 562 CD PRO A 55 -10.309 0.173 0.298 1.00 0.00 C ATOM 0 HA PRO A 55 -11.336 3.256 0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.906 3.030 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.038 2.543 1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.161 0.823 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.218 0.577 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.583 -0.689 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.056 -0.204 1.289 1.00 0.00 H new ATOM 570 N GLY A 56 -11.334 4.223 -1.597 1.00 0.00 N ATOM 571 CA GLY A 56 -11.614 4.783 -2.881 1.00 0.00 C ATOM 572 C GLY A 56 -10.336 4.936 -3.670 1.00 0.00 C ATOM 573 O GLY A 56 -10.328 4.838 -4.897 1.00 0.00 O ATOM 0 H GLY A 56 -11.137 4.912 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.310 4.142 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.098 5.753 -2.766 1.00 0.00 H new ATOM 577 N SER A 57 -9.246 5.147 -2.965 1.00 0.00 N ATOM 578 CA SER A 57 -7.955 5.299 -3.573 1.00 0.00 C ATOM 579 C SER A 57 -6.892 4.925 -2.567 1.00 0.00 C ATOM 580 O SER A 57 -7.157 4.900 -1.366 1.00 0.00 O ATOM 581 CB SER A 57 -7.754 6.731 -4.123 1.00 0.00 C ATOM 582 OG SER A 57 -8.002 7.729 -3.150 1.00 0.00 O ATOM 0 H SER A 57 -9.237 5.217 -1.947 1.00 0.00 H new ATOM 0 HA SER A 57 -7.878 4.631 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.734 6.834 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.418 6.886 -4.974 1.00 0.00 H new ATOM 0 HG SER A 57 -8.952 7.723 -2.910 1.00 0.00 H new ATOM 588 N VAL A 58 -5.725 4.594 -3.038 1.00 0.00 N ATOM 589 CA VAL A 58 -4.631 4.197 -2.180 1.00 0.00 C ATOM 590 C VAL A 58 -3.401 4.937 -2.645 1.00 0.00 C ATOM 591 O VAL A 58 -3.250 5.152 -3.846 1.00 0.00 O ATOM 592 CB VAL A 58 -4.347 2.665 -2.301 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.264 2.228 -1.344 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.600 1.830 -2.101 1.00 0.00 C ATOM 0 H VAL A 58 -5.498 4.590 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.885 4.425 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.997 2.494 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.091 1.157 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.344 2.769 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.574 2.442 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.351 0.773 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.009 2.020 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.339 2.097 -2.856 1.00 0.00 H new ATOM 604 N CYS A 59 -2.552 5.351 -1.747 1.00 0.00 N ATOM 605 CA CYS A 59 -1.325 5.979 -2.155 1.00 0.00 C ATOM 606 C CYS A 59 -0.208 5.634 -1.208 1.00 0.00 C ATOM 607 O CYS A 59 -0.436 5.394 -0.005 1.00 0.00 O ATOM 608 CB CYS A 59 -1.456 7.504 -2.283 1.00 0.00 C ATOM 609 SG CYS A 59 0.030 8.282 -3.011 1.00 0.00 S ATOM 0 H CYS A 59 -2.683 5.267 -0.739 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.091 5.589 -3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.323 7.739 -2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.640 7.933 -1.298 1.00 0.00 H new ATOM 614 N VAL A 60 0.981 5.563 -1.751 1.00 0.00 N ATOM 615 CA VAL A 60 2.170 5.348 -0.990 1.00 0.00 C ATOM 616 C VAL A 60 3.013 6.603 -1.115 1.00 0.00 C ATOM 617 O VAL A 60 3.382 6.979 -2.229 1.00 0.00 O ATOM 618 CB VAL A 60 2.990 4.141 -1.516 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.232 3.908 -0.658 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.132 2.894 -1.562 1.00 0.00 C ATOM 0 H VAL A 60 1.145 5.656 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 60 1.898 5.132 0.043 1.00 0.00 H new ATOM 0 HB VAL A 60 3.318 4.371 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.789 3.056 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.863 4.796 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.931 3.705 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.725 2.058 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.769 2.665 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.283 3.060 -2.226 1.00 0.00 H new ATOM 630 N PRO A 61 3.270 7.297 -0.003 1.00 0.00 N ATOM 631 CA PRO A 61 4.089 8.510 0.002 1.00 0.00 C ATOM 632 C PRO A 61 5.479 8.262 -0.583 1.00 0.00 C ATOM 633 O PRO A 61 6.041 7.156 -0.452 1.00 0.00 O ATOM 634 CB PRO A 61 4.197 8.899 1.484 1.00 0.00 C ATOM 635 CG PRO A 61 3.554 7.799 2.262 1.00 0.00 C ATOM 636 CD PRO A 61 2.755 6.961 1.317 1.00 0.00 C ATOM 0 HA PRO A 61 3.643 9.293 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.240 9.023 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.698 9.850 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.311 7.193 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.912 8.210 3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.876 5.899 1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.691 7.182 1.395 1.00 0.00 H new ATOM 644 N PHE A 62 6.030 9.265 -1.231 1.00 0.00 N ATOM 645 CA PHE A 62 7.318 9.131 -1.845 1.00 0.00 C ATOM 646 C PHE A 62 8.380 9.172 -0.788 1.00 0.00 C ATOM 647 O PHE A 62 8.591 10.193 -0.136 1.00 0.00 O ATOM 648 CB PHE A 62 7.569 10.211 -2.898 1.00 0.00 C ATOM 649 CG PHE A 62 8.903 10.070 -3.593 1.00 0.00 C ATOM 650 CD1 PHE A 62 9.952 10.926 -3.301 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.103 9.076 -4.532 1.00 0.00 C ATOM 652 CE1 PHE A 62 11.171 10.788 -3.938 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.318 8.937 -5.170 1.00 0.00 C ATOM 654 CZ PHE A 62 11.351 9.795 -4.874 1.00 0.00 C ATOM 0 H PHE A 62 5.599 10.182 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 62 7.348 8.171 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.774 10.174 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.516 11.191 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.816 11.708 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.296 8.398 -4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.983 11.460 -3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.458 8.155 -5.901 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.302 9.690 -5.375 1.00 0.00 H new ATOM 664 N VAL A 63 9.030 8.079 -0.601 1.00 0.00 N ATOM 665 CA VAL A 63 10.032 8.008 0.382 1.00 0.00 C ATOM 666 C VAL A 63 11.361 8.304 -0.260 1.00 0.00 C ATOM 667 O VAL A 63 11.831 7.567 -1.122 1.00 0.00 O ATOM 668 CB VAL A 63 10.056 6.618 1.057 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.035 6.590 2.198 1.00 0.00 C ATOM 670 CG2 VAL A 63 8.667 6.228 1.535 1.00 0.00 C ATOM 0 H VAL A 63 8.878 7.217 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 63 9.823 8.743 1.159 1.00 0.00 H new ATOM 0 HB VAL A 63 10.381 5.890 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.032 5.601 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.034 6.815 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.749 7.334 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.707 5.246 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.311 6.963 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.986 6.194 0.685 1.00 0.00 H new ATOM 680 N ASN A 64 11.927 9.396 0.154 1.00 0.00 N ATOM 681 CA ASN A 64 13.234 9.864 -0.289 1.00 0.00 C ATOM 682 C ASN A 64 14.207 9.718 0.862 1.00 0.00 C ATOM 683 O ASN A 64 15.159 10.479 1.013 1.00 0.00 O ATOM 684 CB ASN A 64 13.146 11.334 -0.787 1.00 0.00 C ATOM 685 CG ASN A 64 12.444 12.294 0.181 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.465 12.115 1.403 1.00 0.00 O ATOM 687 ND2 ASN A 64 11.805 13.302 -0.361 1.00 0.00 N ATOM 0 H ASN A 64 11.488 10.018 0.833 1.00 0.00 H new ATOM 0 HA ASN A 64 13.586 9.267 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.155 11.701 -0.975 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.618 11.350 -1.741 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.306 13.967 0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.807 13.422 -1.374 1.00 0.00 H new ATOM 694 N ASP A 65 13.956 8.692 1.642 1.00 0.00 N ATOM 695 CA ASP A 65 14.738 8.359 2.817 1.00 0.00 C ATOM 696 C ASP A 65 16.040 7.741 2.353 1.00 0.00 C ATOM 697 O ASP A 65 16.062 7.057 1.325 1.00 0.00 O ATOM 698 CB ASP A 65 13.968 7.374 3.699 1.00 0.00 C ATOM 699 CG ASP A 65 14.427 7.358 5.131 1.00 0.00 C ATOM 700 OD1 ASP A 65 15.281 6.565 5.490 1.00 0.00 O ATOM 701 OD2 ASP A 65 13.902 8.163 5.930 1.00 0.00 O ATOM 0 H ASP A 65 13.183 8.048 1.475 1.00 0.00 H new ATOM 0 HA ASP A 65 14.937 9.255 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.908 7.626 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.069 6.372 3.283 1.00 0.00 H new ATOM 706 N THR A 66 17.107 8.013 3.067 1.00 0.00 N ATOM 707 CA THR A 66 18.479 7.607 2.731 1.00 0.00 C ATOM 708 C THR A 66 18.665 6.053 2.541 1.00 0.00 C ATOM 709 O THR A 66 19.708 5.588 2.034 1.00 0.00 O ATOM 710 CB THR A 66 19.385 8.099 3.865 1.00 0.00 C ATOM 711 OG1 THR A 66 18.852 9.357 4.335 1.00 0.00 O ATOM 712 CG2 THR A 66 20.801 8.339 3.367 1.00 0.00 C ATOM 0 H THR A 66 17.056 8.544 3.936 1.00 0.00 H new ATOM 0 HA THR A 66 18.734 8.048 1.767 1.00 0.00 H new ATOM 0 HB THR A 66 19.415 7.347 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.411 9.697 5.064 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.423 8.687 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.210 7.409 2.972 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.787 9.093 2.580 1.00 0.00 H new ATOM 720 N LYS A 67 17.667 5.280 2.925 1.00 0.00 N ATOM 721 CA LYS A 67 17.706 3.822 2.826 1.00 0.00 C ATOM 722 C LYS A 67 17.699 3.407 1.362 1.00 0.00 C ATOM 723 O LYS A 67 17.054 4.054 0.527 1.00 0.00 O ATOM 724 CB LYS A 67 16.476 3.229 3.506 1.00 0.00 C ATOM 725 CG LYS A 67 16.209 3.804 4.873 1.00 0.00 C ATOM 726 CD LYS A 67 17.245 3.423 5.910 1.00 0.00 C ATOM 727 CE LYS A 67 17.247 4.426 7.063 1.00 0.00 C ATOM 728 NZ LYS A 67 15.881 4.843 7.467 1.00 0.00 N ATOM 0 H LYS A 67 16.798 5.642 3.318 1.00 0.00 H new ATOM 0 HA LYS A 67 18.612 3.459 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.604 3.397 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.603 2.150 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.166 4.891 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.229 3.469 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.035 2.423 6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.232 3.388 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.756 3.985 7.920 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.819 5.307 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.867 5.043 8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.610 5.699 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.208 4.080 7.254 1.00 0.00 H new ATOM 742 N ARG A 68 18.399 2.339 1.052 1.00 0.00 N ATOM 743 CA ARG A 68 18.462 1.839 -0.313 1.00 0.00 C ATOM 744 C ARG A 68 17.251 1.006 -0.659 1.00 0.00 C ATOM 745 O ARG A 68 17.005 0.709 -1.821 1.00 0.00 O ATOM 746 CB ARG A 68 19.764 1.088 -0.614 1.00 0.00 C ATOM 747 CG ARG A 68 20.963 1.991 -0.921 1.00 0.00 C ATOM 748 CD ARG A 68 21.395 2.855 0.254 1.00 0.00 C ATOM 749 NE ARG A 68 21.952 2.064 1.354 1.00 0.00 N ATOM 750 CZ ARG A 68 21.978 2.436 2.631 1.00 0.00 C ATOM 751 NH1 ARG A 68 21.409 3.573 3.010 1.00 0.00 N ATOM 752 NH2 ARG A 68 22.569 1.659 3.525 1.00 0.00 N ATOM 0 H ARG A 68 18.937 1.794 1.726 1.00 0.00 H new ATOM 0 HA ARG A 68 18.457 2.717 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 68 20.010 0.457 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.598 0.425 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.803 1.371 -1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.714 2.637 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.139 3.577 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.539 3.425 0.617 1.00 0.00 H new ATOM 0 HE ARG A 68 22.352 1.155 1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.948 4.167 2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.432 3.853 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 68 23.000 0.782 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.593 1.937 4.506 1.00 0.00 H new ATOM 766 N GLU A 69 16.511 0.626 0.344 1.00 0.00 N ATOM 767 CA GLU A 69 15.264 -0.062 0.131 1.00 0.00 C ATOM 768 C GLU A 69 14.117 0.904 0.374 1.00 0.00 C ATOM 769 O GLU A 69 14.049 1.562 1.415 1.00 0.00 O ATOM 770 CB GLU A 69 15.087 -1.284 1.056 1.00 0.00 C ATOM 771 CG GLU A 69 16.020 -2.472 0.812 1.00 0.00 C ATOM 772 CD GLU A 69 17.466 -2.188 1.086 1.00 0.00 C ATOM 773 OE1 GLU A 69 18.307 -2.349 0.175 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.803 -1.805 2.225 1.00 0.00 O ATOM 0 H GLU A 69 16.749 0.781 1.324 1.00 0.00 H new ATOM 0 HA GLU A 69 15.268 -0.426 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.220 -0.953 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.059 -1.634 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.700 -3.305 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.915 -2.794 -0.224 1.00 0.00 H new ATOM 781 N ARG A 70 13.239 0.991 -0.569 1.00 0.00 N ATOM 782 CA ARG A 70 12.051 1.797 -0.441 1.00 0.00 C ATOM 783 C ARG A 70 10.854 0.895 -0.231 1.00 0.00 C ATOM 784 O ARG A 70 10.856 -0.231 -0.683 1.00 0.00 O ATOM 785 CB ARG A 70 11.837 2.730 -1.648 1.00 0.00 C ATOM 786 CG ARG A 70 12.504 4.108 -1.524 1.00 0.00 C ATOM 787 CD ARG A 70 14.016 4.045 -1.491 1.00 0.00 C ATOM 788 NE ARG A 70 14.591 3.601 -2.779 1.00 0.00 N ATOM 789 CZ ARG A 70 15.902 3.606 -3.096 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.822 3.947 -2.200 1.00 0.00 N ATOM 791 NH2 ARG A 70 16.281 3.260 -4.316 1.00 0.00 N ATOM 0 H ARG A 70 13.318 0.504 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 70 12.176 2.446 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.218 2.237 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.766 2.872 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.192 4.731 -2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.148 4.595 -0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.412 5.029 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.331 3.363 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 70 13.941 3.262 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.541 4.210 -1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.809 3.945 -2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.583 2.992 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.271 3.262 -4.562 1.00 0.00 H new ATOM 805 N PRO A 71 9.830 1.350 0.474 1.00 0.00 N ATOM 806 CA PRO A 71 8.664 0.526 0.750 1.00 0.00 C ATOM 807 C PRO A 71 7.729 0.393 -0.463 1.00 0.00 C ATOM 808 O PRO A 71 7.502 1.355 -1.212 1.00 0.00 O ATOM 809 CB PRO A 71 7.994 1.264 1.898 1.00 0.00 C ATOM 810 CG PRO A 71 8.328 2.689 1.662 1.00 0.00 C ATOM 811 CD PRO A 71 9.709 2.692 1.063 1.00 0.00 C ATOM 0 HA PRO A 71 8.928 -0.504 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.916 1.103 1.899 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.368 0.922 2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.608 3.153 0.988 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.304 3.256 2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.818 3.472 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.474 2.869 1.819 1.00 0.00 H new ATOM 819 N TYR A 72 7.214 -0.793 -0.640 1.00 0.00 N ATOM 820 CA TYR A 72 6.333 -1.127 -1.725 1.00 0.00 C ATOM 821 C TYR A 72 5.168 -1.896 -1.097 1.00 0.00 C ATOM 822 O TYR A 72 5.385 -2.830 -0.338 1.00 0.00 O ATOM 823 CB TYR A 72 7.105 -2.014 -2.710 1.00 0.00 C ATOM 824 CG TYR A 72 6.475 -2.194 -4.072 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.500 -3.149 -4.296 1.00 0.00 C ATOM 826 CD2 TYR A 72 6.888 -1.420 -5.150 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.952 -3.329 -5.547 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.339 -1.593 -6.406 1.00 0.00 C ATOM 829 CZ TYR A 72 5.373 -2.553 -6.598 1.00 0.00 C ATOM 830 OH TYR A 72 4.831 -2.745 -7.850 1.00 0.00 O ATOM 0 H TYR A 72 7.402 -1.577 -0.015 1.00 0.00 H new ATOM 0 HA TYR A 72 5.967 -0.253 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.101 -1.592 -2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.234 -2.998 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.162 -3.765 -3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.651 -0.670 -5.003 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.192 -4.080 -5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.666 -0.978 -7.232 1.00 0.00 H new ATOM 0 HH TYR A 72 5.236 -2.115 -8.482 1.00 0.00 H new ATOM 840 N TRP A 73 3.975 -1.514 -1.379 1.00 0.00 N ATOM 841 CA TRP A 73 2.842 -2.090 -0.708 1.00 0.00 C ATOM 842 C TRP A 73 2.009 -2.953 -1.632 1.00 0.00 C ATOM 843 O TRP A 73 1.820 -2.619 -2.798 1.00 0.00 O ATOM 844 CB TRP A 73 2.007 -0.978 -0.084 1.00 0.00 C ATOM 845 CG TRP A 73 2.706 -0.262 1.042 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.603 0.759 0.949 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.535 -0.513 2.429 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.989 1.161 2.203 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.341 0.395 3.129 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.765 -1.415 3.141 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.391 0.420 4.521 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.805 -1.395 4.511 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.612 -0.483 5.194 1.00 0.00 C ATOM 0 H TRP A 73 3.746 -0.802 -2.072 1.00 0.00 H new ATOM 0 HA TRP A 73 3.207 -2.750 0.079 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.744 -0.255 -0.856 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.074 -1.400 0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.958 1.189 0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.651 1.909 2.409 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.139 -2.127 2.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.019 1.123 5.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.203 -2.095 5.071 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.622 -0.490 6.274 1.00 0.00 H new ATOM 864 N TYR A 74 1.551 -4.067 -1.116 1.00 0.00 N ATOM 865 CA TYR A 74 0.691 -4.971 -1.839 1.00 0.00 C ATOM 866 C TYR A 74 -0.645 -5.089 -1.154 1.00 0.00 C ATOM 867 O TYR A 74 -0.716 -5.142 0.075 1.00 0.00 O ATOM 868 CB TYR A 74 1.324 -6.346 -1.988 1.00 0.00 C ATOM 869 CG TYR A 74 2.328 -6.441 -3.109 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.908 -6.551 -4.429 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.680 -6.431 -2.859 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.812 -6.645 -5.457 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.595 -6.526 -3.884 1.00 0.00 C ATOM 874 CZ TYR A 74 4.153 -6.632 -5.180 1.00 0.00 C ATOM 875 OH TYR A 74 5.059 -6.727 -6.208 1.00 0.00 O ATOM 0 H TYR A 74 1.768 -4.376 -0.168 1.00 0.00 H new ATOM 0 HA TYR A 74 0.545 -4.558 -2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.814 -6.612 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.537 -7.081 -2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.851 -6.563 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.031 -6.347 -1.841 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.468 -6.729 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.654 -6.517 -3.670 1.00 0.00 H new ATOM 0 HH TYR A 74 5.377 -5.832 -6.447 1.00 0.00 H new ATOM 885 N LEU A 75 -1.686 -5.184 -1.939 1.00 0.00 N ATOM 886 CA LEU A 75 -3.038 -5.236 -1.428 1.00 0.00 C ATOM 887 C LEU A 75 -3.679 -6.475 -2.002 1.00 0.00 C ATOM 888 O LEU A 75 -3.401 -6.832 -3.158 1.00 0.00 O ATOM 889 CB LEU A 75 -3.822 -4.006 -1.939 1.00 0.00 C ATOM 890 CG LEU A 75 -3.102 -2.646 -1.874 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.967 -1.550 -2.444 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.692 -2.298 -0.461 1.00 0.00 C ATOM 0 H LEU A 75 -1.624 -5.228 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.041 -5.247 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.106 -4.191 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.745 -3.929 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.199 -2.733 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.436 -0.600 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.199 -1.774 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.893 -1.483 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.187 -1.332 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.577 -2.248 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.015 -3.063 -0.080 1.00 0.00 H new ATOM 904 N PHE A 76 -4.494 -7.141 -1.208 1.00 0.00 N ATOM 905 CA PHE A 76 -5.129 -8.384 -1.606 1.00 0.00 C ATOM 906 C PHE A 76 -6.602 -8.348 -1.254 1.00 0.00 C ATOM 907 O PHE A 76 -6.984 -7.835 -0.192 1.00 0.00 O ATOM 908 CB PHE A 76 -4.462 -9.573 -0.899 1.00 0.00 C ATOM 909 CG PHE A 76 -2.986 -9.686 -1.155 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.077 -9.005 -0.355 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.507 -10.459 -2.194 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.727 -9.093 -0.597 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.159 -10.553 -2.428 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.270 -9.868 -1.633 1.00 0.00 C ATOM 0 H PHE A 76 -4.736 -6.835 -0.265 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.017 -8.502 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.628 -9.484 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.948 -10.494 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.435 -8.400 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.199 -10.994 -2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.028 -8.554 0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.795 -11.167 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.790 -9.940 -1.825 1.00 0.00 H new ATOM 924 N ASP A 77 -7.423 -8.889 -2.119 1.00 0.00 N ATOM 925 CA ASP A 77 -8.876 -8.878 -1.928 1.00 0.00 C ATOM 926 C ASP A 77 -9.337 -9.980 -0.982 1.00 0.00 C ATOM 927 O ASP A 77 -10.472 -9.938 -0.490 1.00 0.00 O ATOM 928 CB ASP A 77 -9.641 -8.960 -3.266 1.00 0.00 C ATOM 929 CG ASP A 77 -9.593 -10.310 -3.930 1.00 0.00 C ATOM 930 OD1 ASP A 77 -10.587 -10.711 -4.549 1.00 0.00 O ATOM 931 OD2 ASP A 77 -8.589 -10.971 -3.857 1.00 0.00 O ATOM 0 H ASP A 77 -7.118 -9.351 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.112 -7.919 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.683 -8.692 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.231 -8.217 -3.951 1.00 0.00 H new ATOM 936 N ASN A 78 -8.483 -10.956 -0.714 1.00 0.00 N ATOM 937 CA ASN A 78 -8.826 -11.996 0.236 1.00 0.00 C ATOM 938 C ASN A 78 -7.744 -12.087 1.311 1.00 0.00 C ATOM 939 O ASN A 78 -6.668 -11.514 1.150 1.00 0.00 O ATOM 940 CB ASN A 78 -9.038 -13.345 -0.456 1.00 0.00 C ATOM 941 CG ASN A 78 -9.877 -14.275 0.399 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.372 -15.091 1.166 1.00 0.00 O ATOM 943 ND2 ASN A 78 -11.154 -14.100 0.329 1.00 0.00 N ATOM 0 H ASN A 78 -7.559 -11.047 -1.136 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.772 -11.734 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.528 -13.190 -1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.072 -13.807 -0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.777 -14.648 0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.540 -13.414 -0.319 1.00 0.00 H new ATOM 950 N VAL A 79 -8.041 -12.767 2.414 1.00 0.00 N ATOM 951 CA VAL A 79 -7.123 -12.894 3.548 1.00 0.00 C ATOM 952 C VAL A 79 -5.918 -13.749 3.199 1.00 0.00 C ATOM 953 O VAL A 79 -5.895 -14.405 2.153 1.00 0.00 O ATOM 954 CB VAL A 79 -7.805 -13.515 4.794 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.943 -12.653 5.283 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.285 -14.929 4.500 1.00 0.00 C ATOM 0 H VAL A 79 -8.929 -13.249 2.550 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.806 -11.877 3.780 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.061 -13.565 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.400 -13.116 6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.563 -11.667 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.688 -12.553 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.760 -15.344 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.004 -14.906 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.435 -15.551 4.219 1.00 0.00 H new ATOM 966 N ASN A 80 -4.920 -13.726 4.080 1.00 0.00 N ATOM 967 CA ASN A 80 -3.678 -14.517 3.939 1.00 0.00 C ATOM 968 C ASN A 80 -2.983 -14.218 2.626 1.00 0.00 C ATOM 969 O ASN A 80 -2.255 -15.053 2.084 1.00 0.00 O ATOM 970 CB ASN A 80 -3.950 -16.037 4.081 1.00 0.00 C ATOM 971 CG ASN A 80 -4.217 -16.483 5.513 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.291 -16.795 6.270 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.466 -16.571 5.884 1.00 0.00 N ATOM 0 H ASN A 80 -4.942 -13.154 4.925 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.013 -14.221 4.751 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.807 -16.303 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.093 -16.588 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.698 -16.904 6.820 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.210 -16.307 5.238 1.00 0.00 H new ATOM 980 N TYR A 81 -3.168 -12.980 2.167 1.00 0.00 N ATOM 981 CA TYR A 81 -2.576 -12.455 0.949 1.00 0.00 C ATOM 982 C TYR A 81 -2.930 -13.335 -0.249 1.00 0.00 C ATOM 983 O TYR A 81 -2.053 -13.722 -1.052 1.00 0.00 O ATOM 984 CB TYR A 81 -1.053 -12.325 1.098 1.00 0.00 C ATOM 985 CG TYR A 81 -0.619 -11.699 2.399 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.313 -12.329 3.189 1.00 0.00 C ATOM 987 CD2 TYR A 81 -1.169 -10.518 2.858 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.684 -11.815 4.393 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.790 -9.989 4.067 1.00 0.00 C ATOM 990 CZ TYR A 81 0.138 -10.644 4.833 1.00 0.00 C ATOM 991 OH TYR A 81 0.508 -10.134 6.058 1.00 0.00 O ATOM 0 H TYR A 81 -3.753 -12.299 2.652 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.987 -11.461 0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.604 -13.314 1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.666 -11.728 0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.760 -13.251 2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.906 -10.004 2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.411 -12.334 5.001 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.221 -9.061 4.412 1.00 0.00 H new ATOM 0 HH TYR A 81 0.029 -9.295 6.221 1.00 0.00 H new ATOM 1001 N THR A 82 -4.198 -13.648 -0.376 1.00 0.00 N ATOM 1002 CA THR A 82 -4.653 -14.458 -1.465 1.00 0.00 C ATOM 1003 C THR A 82 -5.618 -13.669 -2.325 1.00 0.00 C ATOM 1004 O THR A 82 -6.059 -12.572 -1.934 1.00 0.00 O ATOM 1005 CB THR A 82 -5.324 -15.780 -0.989 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.457 -15.506 -0.167 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.353 -16.637 -0.210 1.00 0.00 C ATOM 0 H THR A 82 -4.930 -13.349 0.268 1.00 0.00 H new ATOM 0 HA THR A 82 -3.775 -14.736 -2.048 1.00 0.00 H new ATOM 0 HB THR A 82 -5.641 -16.319 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.176 -14.987 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.851 -17.553 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.501 -16.888 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.006 -16.089 0.666 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.928 -14.204 -3.474 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.840 -13.566 -4.349 1.00 0.00 C ATOM 1017 C GLY A 83 -6.130 -12.680 -5.325 1.00 0.00 C ATOM 1018 O GLY A 83 -5.132 -13.081 -5.942 1.00 0.00 O ATOM 0 H GLY A 83 -5.553 -15.088 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.415 -14.318 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.551 -12.976 -3.770 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.610 -11.499 -5.433 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.106 -10.500 -6.330 1.00 0.00 C ATOM 1024 C ARG A 84 -4.995 -9.742 -5.663 1.00 0.00 C ATOM 1025 O ARG A 84 -5.053 -9.485 -4.467 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.220 -9.545 -6.698 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.340 -10.184 -7.475 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.526 -9.242 -7.579 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.587 -9.750 -8.450 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.782 -10.221 -8.041 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.012 -10.487 -6.761 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.726 -10.471 -8.929 1.00 0.00 N ATOM 0 H ARG A 84 -7.402 -11.176 -4.878 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.726 -10.980 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.627 -9.108 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.804 -8.726 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.992 -10.450 -8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.646 -11.110 -6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.933 -9.069 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.185 -8.278 -7.956 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.406 -9.747 -9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.278 -10.335 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.922 -10.843 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.550 -10.308 -9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.632 -10.827 -8.624 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.008 -9.368 -6.424 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.876 -8.676 -5.872 1.00 0.00 C ATOM 1048 C ILE A 85 -2.706 -7.322 -6.556 1.00 0.00 C ATOM 1049 O ILE A 85 -2.921 -7.182 -7.763 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.582 -9.545 -6.003 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.405 -8.912 -5.271 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.214 -9.736 -7.459 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.843 -9.780 -5.263 1.00 0.00 C ATOM 0 H ILE A 85 -3.962 -9.530 -7.430 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.051 -8.502 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.797 -10.512 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.169 -7.955 -5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.698 -8.702 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.311 -10.343 -7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.031 -10.238 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.035 -8.764 -7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.640 -9.267 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.624 -10.727 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.161 -9.970 -6.288 1.00 0.00 H new ATOM 1065 N THR A 86 -2.443 -6.326 -5.787 1.00 0.00 N ATOM 1066 CA THR A 86 -2.175 -5.010 -6.312 1.00 0.00 C ATOM 1067 C THR A 86 -0.922 -4.433 -5.666 1.00 0.00 C ATOM 1068 O THR A 86 -0.835 -4.389 -4.448 1.00 0.00 O ATOM 1069 CB THR A 86 -3.408 -4.095 -6.134 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.498 -4.662 -6.883 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.140 -2.684 -6.627 1.00 0.00 C ATOM 0 H THR A 86 -2.404 -6.388 -4.770 1.00 0.00 H new ATOM 0 HA THR A 86 -1.984 -5.079 -7.383 1.00 0.00 H new ATOM 0 HB THR A 86 -3.648 -4.032 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.188 -4.982 -6.265 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.031 -2.073 -6.484 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.311 -2.254 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.885 -2.711 -7.686 1.00 0.00 H new ATOM 1079 N GLY A 87 0.048 -4.053 -6.473 1.00 0.00 N ATOM 1080 CA GLY A 87 1.274 -3.500 -5.947 1.00 0.00 C ATOM 1081 C GLY A 87 1.413 -2.019 -6.211 1.00 0.00 C ATOM 1082 O GLY A 87 1.219 -1.563 -7.340 1.00 0.00 O ATOM 0 H GLY A 87 0.009 -4.117 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.315 -3.678 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.122 -4.024 -6.389 1.00 0.00 H new ATOM 1086 N LEU A 88 1.723 -1.272 -5.174 1.00 0.00 N ATOM 1087 CA LEU A 88 1.927 0.166 -5.257 1.00 0.00 C ATOM 1088 C LEU A 88 3.327 0.530 -4.828 1.00 0.00 C ATOM 1089 O LEU A 88 3.887 -0.089 -3.914 1.00 0.00 O ATOM 1090 CB LEU A 88 0.899 0.934 -4.398 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.320 1.506 -5.122 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.096 2.639 -6.041 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.035 0.424 -5.901 1.00 0.00 C ATOM 0 H LEU A 88 1.843 -1.648 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 88 1.786 0.456 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.544 0.264 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.417 1.756 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.010 1.901 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.782 3.036 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.564 3.430 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.805 2.266 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.899 0.852 -6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.355 -0.003 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.366 -0.358 -5.218 1.00 0.00 H new ATOM 1105 N GLY A 89 3.874 1.544 -5.459 1.00 0.00 N ATOM 1106 CA GLY A 89 5.210 1.971 -5.160 1.00 0.00 C ATOM 1107 C GLY A 89 5.235 3.339 -4.528 1.00 0.00 C ATOM 1108 O GLY A 89 4.230 4.063 -4.562 1.00 0.00 O ATOM 0 H GLY A 89 3.407 2.087 -6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.679 1.252 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.801 1.984 -6.076 1.00 0.00 H new ATOM 1112 N HIS A 90 6.373 3.693 -3.965 1.00 0.00 N ATOM 1113 CA HIS A 90 6.559 4.970 -3.293 1.00 0.00 C ATOM 1114 C HIS A 90 6.387 6.148 -4.254 1.00 0.00 C ATOM 1115 O HIS A 90 7.062 6.240 -5.278 1.00 0.00 O ATOM 1116 CB HIS A 90 7.936 5.036 -2.562 1.00 0.00 C ATOM 1117 CG HIS A 90 9.157 4.884 -3.451 1.00 0.00 C ATOM 1118 ND1 HIS A 90 10.051 5.902 -3.735 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.621 3.795 -4.105 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.999 5.405 -4.540 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.783 4.128 -4.792 1.00 0.00 N ATOM 0 H HIS A 90 7.203 3.100 -3.959 1.00 0.00 H new ATOM 0 HA HIS A 90 5.778 5.050 -2.537 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.005 5.990 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.962 4.255 -1.802 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.997 6.861 -3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.160 2.818 -4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.830 5.974 -4.931 1.00 0.00 H new ATOM 1129 N GLY A 91 5.474 7.018 -3.922 1.00 0.00 N ATOM 1130 CA GLY A 91 5.220 8.186 -4.713 1.00 0.00 C ATOM 1131 C GLY A 91 4.141 7.964 -5.735 1.00 0.00 C ATOM 1132 O GLY A 91 3.785 8.878 -6.472 1.00 0.00 O ATOM 0 H GLY A 91 4.885 6.935 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.933 9.009 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.138 8.486 -5.218 1.00 0.00 H new ATOM 1136 N THR A 92 3.605 6.779 -5.780 1.00 0.00 N ATOM 1137 CA THR A 92 2.580 6.478 -6.722 1.00 0.00 C ATOM 1138 C THR A 92 1.264 6.244 -5.972 1.00 0.00 C ATOM 1139 O THR A 92 1.261 5.741 -4.831 1.00 0.00 O ATOM 1140 CB THR A 92 2.978 5.229 -7.527 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.346 5.389 -7.962 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.095 5.075 -8.758 1.00 0.00 C ATOM 0 H THR A 92 3.866 6.005 -5.169 1.00 0.00 H new ATOM 0 HA THR A 92 2.448 7.309 -7.414 1.00 0.00 H new ATOM 0 HB THR A 92 2.861 4.347 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.620 4.601 -8.476 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.395 4.185 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.054 4.977 -8.449 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.203 5.953 -9.395 1.00 0.00 H new ATOM 1150 N CYS A 93 0.170 6.616 -6.583 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.122 6.463 -5.978 1.00 0.00 C ATOM 1152 C CYS A 93 -2.068 5.859 -7.003 1.00 0.00 C ATOM 1153 O CYS A 93 -1.789 5.880 -8.208 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.703 7.820 -5.569 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.555 9.045 -4.799 1.00 0.00 S ATOM 0 H CYS A 93 0.152 7.033 -7.514 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.014 5.830 -5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.139 8.280 -6.456 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.519 7.639 -4.870 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.147 5.297 -6.537 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.195 4.807 -7.399 1.00 0.00 C ATOM 1162 C ILE A 94 -5.215 5.910 -7.541 1.00 0.00 C ATOM 1163 O ILE A 94 -5.629 6.490 -6.536 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.892 3.568 -6.807 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.863 2.505 -6.482 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.923 3.019 -7.792 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.446 1.243 -5.881 1.00 0.00 C ATOM 0 H ILE A 94 -3.329 5.163 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.761 4.520 -8.357 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.406 3.857 -5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.324 2.245 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.133 2.921 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.408 2.143 -7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.672 3.784 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.426 2.738 -8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.644 0.533 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.960 1.487 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.154 0.800 -6.581 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.603 6.205 -8.754 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.560 7.285 -9.017 1.00 0.00 C ATOM 1181 C ASP A 95 -7.952 6.907 -8.535 1.00 0.00 C ATOM 1182 O ASP A 95 -8.619 7.677 -7.828 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.611 7.608 -10.511 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.326 8.183 -11.059 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.367 7.424 -11.306 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.265 9.402 -11.298 1.00 0.00 O ATOM 0 H ASP A 95 -5.278 5.718 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.223 8.165 -8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.854 6.699 -11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.420 8.316 -10.692 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.370 5.710 -8.885 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.666 5.178 -8.510 1.00 0.00 C ATOM 1193 C ASP A 96 -9.509 3.702 -8.245 1.00 0.00 C ATOM 1194 O ASP A 96 -9.477 2.908 -9.184 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.729 5.336 -9.621 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.093 6.749 -10.015 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -12.132 7.264 -9.559 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.381 7.356 -10.841 1.00 0.00 O ATOM 0 H ASP A 96 -7.812 5.067 -9.447 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.004 5.734 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.372 4.816 -10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.638 4.828 -9.298 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.384 3.333 -6.987 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.207 1.931 -6.594 1.00 0.00 C ATOM 1205 C PHE A 97 -10.444 1.116 -6.951 1.00 0.00 C ATOM 1206 O PHE A 97 -10.364 -0.057 -7.292 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.878 1.825 -5.100 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.555 0.435 -4.651 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.326 -0.206 -3.707 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.474 -0.230 -5.188 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -9.014 -1.485 -3.308 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -7.157 -1.504 -4.797 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.925 -2.134 -3.856 1.00 0.00 C ATOM 0 H PHE A 97 -9.401 3.986 -6.203 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.364 1.518 -7.148 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.032 2.475 -4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.726 2.196 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.180 0.298 -3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.865 0.263 -5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.621 -1.982 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.305 -2.008 -5.229 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.680 -3.138 -3.542 1.00 0.00 H new ATOM 1223 N THR A 98 -11.576 1.775 -6.934 1.00 0.00 N ATOM 1224 CA THR A 98 -12.834 1.155 -7.267 1.00 0.00 C ATOM 1225 C THR A 98 -12.844 0.681 -8.748 1.00 0.00 C ATOM 1226 O THR A 98 -13.585 -0.232 -9.110 1.00 0.00 O ATOM 1227 CB THR A 98 -14.025 2.135 -6.977 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.281 1.541 -7.318 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.863 3.456 -7.725 1.00 0.00 C ATOM 0 H THR A 98 -11.651 2.762 -6.687 1.00 0.00 H new ATOM 0 HA THR A 98 -12.960 0.275 -6.637 1.00 0.00 H new ATOM 0 HB THR A 98 -14.010 2.339 -5.906 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.005 2.173 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.707 4.108 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.937 3.939 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.829 3.265 -8.798 1.00 0.00 H new ATOM 1237 N LYS A 99 -11.992 1.286 -9.578 1.00 0.00 N ATOM 1238 CA LYS A 99 -11.915 0.935 -10.984 1.00 0.00 C ATOM 1239 C LYS A 99 -10.803 -0.087 -11.237 1.00 0.00 C ATOM 1240 O LYS A 99 -10.656 -0.581 -12.348 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.668 2.184 -11.832 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.650 3.318 -11.572 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.084 2.926 -11.844 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.023 4.069 -11.520 1.00 0.00 C ATOM 1245 NZ LYS A 99 -16.426 3.734 -11.828 1.00 0.00 N ATOM 0 H LYS A 99 -11.347 2.023 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.868 0.489 -11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.657 2.544 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.717 1.910 -12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.557 3.642 -10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.387 4.171 -12.197 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.196 2.642 -12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.347 2.053 -11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.934 4.323 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.728 4.952 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.036 4.543 -11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.517 3.516 -12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.716 2.907 -11.269 1.00 0.00 H new ATOM 1259 N SER A 100 -10.019 -0.381 -10.215 1.00 0.00 N ATOM 1260 CA SER A 100 -8.901 -1.298 -10.352 1.00 0.00 C ATOM 1261 C SER A 100 -9.390 -2.735 -10.544 1.00 0.00 C ATOM 1262 O SER A 100 -8.865 -3.483 -11.378 1.00 0.00 O ATOM 1263 CB SER A 100 -7.998 -1.177 -9.128 1.00 0.00 C ATOM 1264 OG SER A 100 -7.622 0.179 -8.936 1.00 0.00 O ATOM 0 H SER A 100 -10.137 0.004 -9.278 1.00 0.00 H new ATOM 0 HA SER A 100 -8.328 -1.035 -11.241 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.517 -1.548 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.109 -1.795 -9.258 1.00 0.00 H new ATOM 0 HG SER A 100 -6.922 0.231 -8.252 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.412 -3.092 -9.810 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.966 -4.412 -9.897 1.00 0.00 C ATOM 1272 C GLY A 101 -11.694 -4.735 -8.637 1.00 0.00 C ATOM 1273 O GLY A 101 -12.915 -4.866 -8.626 1.00 0.00 O ATOM 0 H GLY A 101 -10.878 -2.479 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.645 -4.477 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.172 -5.140 -10.067 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.959 -4.813 -7.566 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.536 -5.060 -6.277 1.00 0.00 C ATOM 1279 C PHE A 102 -11.435 -3.794 -5.473 1.00 0.00 C ATOM 1280 O PHE A 102 -10.495 -3.038 -5.661 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.831 -6.235 -5.560 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.367 -6.043 -5.201 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.369 -6.227 -6.140 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.997 -5.733 -3.901 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.039 -6.100 -5.791 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.670 -5.601 -3.555 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.691 -5.788 -4.499 1.00 0.00 C ATOM 0 H PHE A 102 -9.944 -4.707 -7.561 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.581 -5.348 -6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.379 -6.451 -4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.912 -7.117 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.633 -6.473 -7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.760 -5.593 -3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.270 -6.246 -6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.400 -5.350 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.650 -5.690 -4.227 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.407 -3.524 -4.633 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.333 -2.338 -3.797 1.00 0.00 C ATOM 1299 C LYS A 103 -12.193 -2.757 -2.336 1.00 0.00 C ATOM 1300 O LYS A 103 -11.953 -1.938 -1.468 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.559 -1.380 -3.985 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.790 -1.658 -3.096 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.432 -3.008 -3.351 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.505 -3.308 -2.313 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.565 -2.268 -2.250 1.00 0.00 N ATOM 0 H LYS A 103 -13.244 -4.093 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.455 -1.771 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.226 -0.359 -3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.873 -1.427 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.492 -1.599 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.531 -0.876 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.872 -3.023 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.670 -3.787 -3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.963 -4.271 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.037 -3.401 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.340 -2.599 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.167 -1.390 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.930 -2.086 -3.207 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.353 -4.041 -2.090 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.305 -4.554 -0.756 1.00 0.00 C ATOM 1321 C GLY A 104 -11.034 -5.301 -0.498 1.00 0.00 C ATOM 1322 O GLY A 104 -10.845 -6.411 -1.001 1.00 0.00 O ATOM 0 H GLY A 104 -12.518 -4.745 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.395 -3.732 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.156 -5.214 -0.589 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.158 -4.699 0.262 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.895 -5.308 0.587 1.00 0.00 C ATOM 1328 C ILE A 105 -9.067 -6.083 1.871 1.00 0.00 C ATOM 1329 O ILE A 105 -9.391 -5.509 2.913 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.829 -4.195 0.782 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.686 -3.406 -0.506 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.492 -4.783 1.185 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.914 -2.127 -0.356 1.00 0.00 C ATOM 0 H ILE A 105 -10.299 -3.776 0.672 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.570 -5.975 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.158 -3.534 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.192 -4.031 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.679 -3.176 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.766 -3.981 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.602 -5.328 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.145 -5.464 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.856 -1.622 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.417 -1.480 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.907 -2.349 -0.002 1.00 0.00 H new ATOM 1345 N SER A 106 -8.927 -7.378 1.779 1.00 0.00 N ATOM 1346 CA SER A 106 -9.015 -8.234 2.920 1.00 0.00 C ATOM 1347 C SER A 106 -7.664 -8.369 3.639 1.00 0.00 C ATOM 1348 O SER A 106 -7.613 -8.675 4.818 1.00 0.00 O ATOM 1349 CB SER A 106 -9.634 -9.571 2.561 1.00 0.00 C ATOM 1350 OG SER A 106 -10.130 -10.241 3.703 1.00 0.00 O ATOM 0 H SER A 106 -8.748 -7.867 0.902 1.00 0.00 H new ATOM 0 HA SER A 106 -9.689 -7.765 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.445 -9.417 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.890 -10.196 2.067 1.00 0.00 H new ATOM 0 HG SER A 106 -10.786 -10.915 3.428 1.00 0.00 H new ATOM 1356 N SER A 107 -6.570 -8.195 2.911 1.00 0.00 N ATOM 1357 CA SER A 107 -5.250 -8.279 3.527 1.00 0.00 C ATOM 1358 C SER A 107 -4.232 -7.394 2.791 1.00 0.00 C ATOM 1359 O SER A 107 -4.417 -7.080 1.613 1.00 0.00 O ATOM 1360 CB SER A 107 -4.781 -9.750 3.635 1.00 0.00 C ATOM 1361 OG SER A 107 -4.634 -10.378 2.377 1.00 0.00 O ATOM 0 H SER A 107 -6.566 -7.998 1.910 1.00 0.00 H new ATOM 0 HA SER A 107 -5.324 -7.892 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.829 -9.784 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.499 -10.311 4.233 1.00 0.00 H new ATOM 0 HG SER A 107 -5.478 -10.808 2.125 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.178 -6.986 3.489 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.169 -6.073 2.947 1.00 0.00 C ATOM 1369 C ILE A 108 -0.790 -6.584 3.329 1.00 0.00 C ATOM 1370 O ILE A 108 -0.551 -6.867 4.494 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.310 -4.632 3.544 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.730 -4.088 3.375 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.299 -3.685 2.916 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.898 -2.695 3.907 1.00 0.00 C ATOM 0 H ILE A 108 -2.996 -7.278 4.449 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.308 -6.030 1.867 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.105 -4.701 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.993 -4.100 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.429 -4.751 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.416 -2.690 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.290 -4.048 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.465 -3.637 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.927 -2.369 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.666 -2.682 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.223 -2.020 3.380 1.00 0.00 H new ATOM 1386 N LYS A 109 0.113 -6.674 2.381 1.00 0.00 N ATOM 1387 CA LYS A 109 1.461 -7.143 2.665 1.00 0.00 C ATOM 1388 C LYS A 109 2.439 -6.008 2.350 1.00 0.00 C ATOM 1389 O LYS A 109 2.308 -5.347 1.315 1.00 0.00 O ATOM 1390 CB LYS A 109 1.811 -8.396 1.829 1.00 0.00 C ATOM 1391 CG LYS A 109 3.048 -9.137 2.338 1.00 0.00 C ATOM 1392 CD LYS A 109 3.581 -10.197 1.361 1.00 0.00 C ATOM 1393 CE LYS A 109 2.602 -11.290 1.031 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.184 -12.286 0.105 1.00 0.00 N ATOM 0 H LYS A 109 -0.055 -6.430 1.405 1.00 0.00 H new ATOM 0 HA LYS A 109 1.529 -7.426 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.960 -9.077 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.975 -8.099 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.837 -8.412 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.808 -9.618 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.880 -9.703 0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.478 -10.647 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.288 -11.787 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.709 -10.855 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.480 -13.023 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.460 -11.816 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.022 -12.719 0.543 1.00 0.00 H new ATOM 1408 N ARG A 110 3.376 -5.748 3.242 1.00 0.00 N ATOM 1409 CA ARG A 110 4.332 -4.667 3.033 1.00 0.00 C ATOM 1410 C ARG A 110 5.659 -5.234 2.556 1.00 0.00 C ATOM 1411 O ARG A 110 6.285 -6.032 3.261 1.00 0.00 O ATOM 1412 CB ARG A 110 4.577 -3.869 4.319 1.00 0.00 C ATOM 1413 CG ARG A 110 5.436 -2.626 4.100 1.00 0.00 C ATOM 1414 CD ARG A 110 5.842 -1.956 5.410 1.00 0.00 C ATOM 1415 NE ARG A 110 6.900 -2.681 6.134 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.296 -2.400 7.391 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.565 -1.597 8.169 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.391 -2.963 7.877 1.00 0.00 N ATOM 0 H ARG A 110 3.499 -6.264 4.113 1.00 0.00 H new ATOM 0 HA ARG A 110 3.908 -4.000 2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.618 -3.570 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.062 -4.513 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.332 -2.901 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.886 -1.912 3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.184 -0.943 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.966 -1.870 6.052 1.00 0.00 H new ATOM 0 HE ARG A 110 7.365 -3.449 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.700 -1.191 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.872 -1.390 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.932 -3.607 7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.694 -2.753 8.828 1.00 0.00 H new ATOM 1432 N CYS A 111 6.093 -4.796 1.418 1.00 0.00 N ATOM 1433 CA CYS A 111 7.302 -5.265 0.818 1.00 0.00 C ATOM 1434 C CYS A 111 8.258 -4.103 0.650 1.00 0.00 C ATOM 1435 O CYS A 111 7.906 -2.943 0.924 1.00 0.00 O ATOM 1436 CB CYS A 111 6.958 -5.893 -0.525 1.00 0.00 C ATOM 1437 SG CYS A 111 5.658 -7.172 -0.415 1.00 0.00 S ATOM 0 H CYS A 111 5.607 -4.088 0.868 1.00 0.00 H new ATOM 0 HA CYS A 111 7.785 -6.013 1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.631 -5.111 -1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.858 -6.336 -0.952 1.00 0.00 H new ATOM 1442 N ILE A 112 9.454 -4.396 0.264 1.00 0.00 N ATOM 1443 CA ILE A 112 10.454 -3.399 0.052 1.00 0.00 C ATOM 1444 C ILE A 112 11.076 -3.584 -1.303 1.00 0.00 C ATOM 1445 O ILE A 112 11.237 -4.700 -1.773 1.00 0.00 O ATOM 1446 CB ILE A 112 11.562 -3.442 1.119 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.015 -4.882 1.354 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.094 -2.794 2.415 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.341 -4.992 2.031 1.00 0.00 C ATOM 0 H ILE A 112 9.771 -5.348 0.084 1.00 0.00 H new ATOM 0 HA ILE A 112 9.959 -2.430 0.121 1.00 0.00 H new ATOM 0 HB ILE A 112 12.416 -2.871 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.266 -5.395 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.062 -5.399 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.895 -2.837 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.830 -1.753 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.222 -3.327 2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.596 -6.043 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.103 -4.509 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.294 -4.504 3.005 1.00 0.00 H new ATOM 1461 N GLN A 113 11.401 -2.516 -1.919 1.00 0.00 N ATOM 1462 CA GLN A 113 11.999 -2.538 -3.201 1.00 0.00 C ATOM 1463 C GLN A 113 13.387 -1.977 -3.070 1.00 0.00 C ATOM 1464 O GLN A 113 13.571 -0.867 -2.559 1.00 0.00 O ATOM 1465 CB GLN A 113 11.150 -1.756 -4.196 1.00 0.00 C ATOM 1466 CG GLN A 113 11.606 -1.897 -5.632 1.00 0.00 C ATOM 1467 CD GLN A 113 10.620 -1.312 -6.614 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.916 -0.338 -6.323 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.532 -1.907 -7.767 1.00 0.00 N ATOM 0 H GLN A 113 11.257 -1.579 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 113 12.062 -3.556 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.116 -2.091 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.165 -0.701 -3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.570 -1.403 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.757 -2.952 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.128 -2.708 -7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.867 -1.572 -8.464 1.00 0.00 H new ATOM 1478 N THR A 114 14.346 -2.746 -3.482 1.00 0.00 N ATOM 1479 CA THR A 114 15.729 -2.398 -3.333 1.00 0.00 C ATOM 1480 C THR A 114 16.130 -1.368 -4.391 1.00 0.00 C ATOM 1481 O THR A 114 15.326 -1.017 -5.276 1.00 0.00 O ATOM 1482 CB THR A 114 16.610 -3.665 -3.491 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.524 -4.155 -4.838 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.139 -4.775 -2.558 1.00 0.00 C ATOM 0 H THR A 114 14.191 -3.645 -3.938 1.00 0.00 H new ATOM 0 HA THR A 114 15.878 -1.971 -2.341 1.00 0.00 H new ATOM 0 HB THR A 114 17.635 -3.389 -3.246 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.715 -3.802 -5.263 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.773 -5.652 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.200 -4.433 -1.525 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.107 -5.035 -2.793 1.00 0.00 H new ATOM 1492 N LYS A 115 17.377 -0.912 -4.330 1.00 0.00 N ATOM 1493 CA LYS A 115 17.901 0.012 -5.314 1.00 0.00 C ATOM 1494 C LYS A 115 17.984 -0.689 -6.672 1.00 0.00 C ATOM 1495 O LYS A 115 17.925 -0.059 -7.730 1.00 0.00 O ATOM 1496 CB LYS A 115 19.281 0.492 -4.908 1.00 0.00 C ATOM 1497 CG LYS A 115 19.749 1.625 -5.772 1.00 0.00 C ATOM 1498 CD LYS A 115 21.139 2.060 -5.450 1.00 0.00 C ATOM 1499 CE LYS A 115 21.469 3.272 -6.274 1.00 0.00 C ATOM 1500 NZ LYS A 115 22.815 3.805 -6.001 1.00 0.00 N ATOM 0 H LYS A 115 18.042 -1.173 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 115 17.236 0.873 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.263 0.812 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.989 -0.334 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.701 1.322 -6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.072 2.471 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 115 21.226 2.290 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 115 21.845 1.256 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 115 21.393 3.018 -7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 115 20.730 4.049 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 22.986 4.639 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 22.884 4.076 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 23.526 3.076 -6.213 1.00 0.00 H new ATOM 1514 N ASP A 116 18.064 -2.002 -6.613 1.00 0.00 N ATOM 1515 CA ASP A 116 18.144 -2.852 -7.790 1.00 0.00 C ATOM 1516 C ASP A 116 16.761 -2.991 -8.450 1.00 0.00 C ATOM 1517 O ASP A 116 16.634 -3.464 -9.585 1.00 0.00 O ATOM 1518 CB ASP A 116 18.625 -4.223 -7.306 1.00 0.00 C ATOM 1519 CG ASP A 116 18.674 -5.315 -8.343 1.00 0.00 C ATOM 1520 OD1 ASP A 116 19.674 -5.403 -9.086 1.00 0.00 O ATOM 1521 OD2 ASP A 116 17.748 -6.153 -8.373 1.00 0.00 O ATOM 0 H ASP A 116 18.076 -2.520 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 116 18.823 -2.427 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.623 -4.106 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 116 17.972 -4.549 -6.496 1.00 0.00 H new ATOM 1526 N GLY A 117 15.744 -2.512 -7.772 1.00 0.00 N ATOM 1527 CA GLY A 117 14.413 -2.526 -8.309 1.00 0.00 C ATOM 1528 C GLY A 117 13.646 -3.777 -7.966 1.00 0.00 C ATOM 1529 O GLY A 117 12.469 -3.895 -8.323 1.00 0.00 O ATOM 0 H GLY A 117 15.820 -2.105 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.868 -1.660 -7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.465 -2.425 -9.393 1.00 0.00 H new ATOM 1533 N LYS A 118 14.273 -4.706 -7.265 1.00 0.00 N ATOM 1534 CA LYS A 118 13.584 -5.931 -6.923 1.00 0.00 C ATOM 1535 C LYS A 118 12.756 -5.726 -5.681 1.00 0.00 C ATOM 1536 O LYS A 118 13.153 -4.985 -4.773 1.00 0.00 O ATOM 1537 CB LYS A 118 14.524 -7.134 -6.745 1.00 0.00 C ATOM 1538 CG LYS A 118 15.545 -7.018 -5.634 1.00 0.00 C ATOM 1539 CD LYS A 118 16.153 -8.380 -5.285 1.00 0.00 C ATOM 1540 CE LYS A 118 16.866 -9.050 -6.464 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.062 -8.312 -6.895 1.00 0.00 N ATOM 0 H LYS A 118 15.234 -4.637 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 118 12.938 -6.171 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.917 -8.021 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.054 -7.298 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.336 -6.332 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.074 -6.591 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.861 -8.254 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.364 -9.040 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.151 -10.064 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.174 -9.134 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.497 -8.798 -7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.793 -7.347 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.744 -8.268 -6.111 1.00 0.00 H new ATOM 1555 N VAL A 119 11.619 -6.350 -5.641 1.00 0.00 N ATOM 1556 CA VAL A 119 10.740 -6.215 -4.518 1.00 0.00 C ATOM 1557 C VAL A 119 10.830 -7.468 -3.664 1.00 0.00 C ATOM 1558 O VAL A 119 10.447 -8.556 -4.093 1.00 0.00 O ATOM 1559 CB VAL A 119 9.264 -5.968 -4.945 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.409 -5.600 -3.739 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.174 -4.879 -6.007 1.00 0.00 C ATOM 0 H VAL A 119 11.275 -6.963 -6.380 1.00 0.00 H new ATOM 0 HA VAL A 119 11.057 -5.341 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 119 8.883 -6.895 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.381 -5.432 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.434 -6.413 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.799 -4.692 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.131 -4.728 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.582 -3.949 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.745 -5.180 -6.886 1.00 0.00 H new ATOM 1571 N GLU A 120 11.369 -7.302 -2.498 1.00 0.00 N ATOM 1572 CA GLU A 120 11.532 -8.352 -1.516 1.00 0.00 C ATOM 1573 C GLU A 120 10.419 -8.177 -0.515 1.00 0.00 C ATOM 1574 O GLU A 120 9.967 -7.045 -0.303 1.00 0.00 O ATOM 1575 CB GLU A 120 12.867 -8.149 -0.797 1.00 0.00 C ATOM 1576 CG GLU A 120 14.089 -8.241 -1.689 1.00 0.00 C ATOM 1577 CD GLU A 120 14.435 -9.654 -2.056 1.00 0.00 C ATOM 1578 OE1 GLU A 120 13.842 -10.220 -2.990 1.00 0.00 O ATOM 1579 OE2 GLU A 120 15.343 -10.228 -1.422 1.00 0.00 O ATOM 0 H GLU A 120 11.725 -6.400 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 120 11.510 -9.339 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.859 -7.171 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.955 -8.894 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.913 -7.667 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.939 -7.783 -1.182 1.00 0.00 H new ATOM 1586 N CYS A 121 9.951 -9.221 0.096 1.00 0.00 N ATOM 1587 CA CYS A 121 8.911 -9.025 1.059 1.00 0.00 C ATOM 1588 C CYS A 121 9.109 -9.934 2.210 1.00 0.00 C ATOM 1589 O CYS A 121 9.602 -11.048 2.050 1.00 0.00 O ATOM 1590 CB CYS A 121 7.566 -9.310 0.433 1.00 0.00 C ATOM 1591 SG CYS A 121 6.234 -8.334 1.135 1.00 0.00 S ATOM 0 H CYS A 121 10.257 -10.184 -0.046 1.00 0.00 H new ATOM 0 HA CYS A 121 8.944 -7.990 1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.623 -9.116 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.334 -10.368 0.553 1.00 0.00 H new