USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 810 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 38 SER OG : rot -53:sc= -0.146 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.118 K(o=-0.26,f=-6.1!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 14 TYR OH : rot 61:sc= 1.15 USER MOD Single : A 15 SER OG : rot 180:sc= -1.08 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 24:sc= -1.61 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.0311 (180deg=-0.25) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.1) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 64 SER OG : rot 26:sc= -0.016 USER MOD Single : A 65 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.4) USER MOD Single : A 68 THR OG1 : rot 1:sc= 0.329 USER MOD Single : A 70 THR OG1 : rot 112:sc= 0.477 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.633 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc=-0.00376 (180deg=-0.332) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -5.36! C(o=-5.4!,f=-4.8!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 97 LYS NZ :NH3+ -175:sc= -0.38 (180deg=-0.431) USER MOD Single : A 99 SER OG : rot -74:sc= 1.22 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.402! K(o=-0.4!,f=-1.3) USER MOD Single : A 103 SER OG : rot -3:sc= 0.656! USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.929 -14.761 1.419 1.00 0.00 N ATOM 67 CA LEU A 8 -10.653 -13.338 1.257 1.00 0.00 C ATOM 68 C LEU A 8 -9.585 -12.875 2.243 1.00 0.00 C ATOM 69 O LEU A 8 -9.606 -13.219 3.425 1.00 0.00 O ATOM 70 CB LEU A 8 -11.933 -12.524 1.453 1.00 0.00 C ATOM 71 CG LEU A 8 -13.109 -12.894 0.549 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.429 -12.626 1.253 1.00 0.00 C ATOM 73 CD2 LEU A 8 -13.036 -12.124 -0.762 1.00 0.00 C ATOM 0 HA LEU A 8 -10.281 -13.178 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.251 -12.629 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.698 -11.471 1.297 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.050 -13.959 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.254 -12.895 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.483 -13.222 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.498 -11.568 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.881 -12.400 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.070 -11.054 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.105 -12.366 -1.275 1.00 0.00 H new ATOM 85 N PRO A 9 -8.630 -12.073 1.749 1.00 0.00 N ATOM 86 CA PRO A 9 -7.538 -11.543 2.571 1.00 0.00 C ATOM 87 C PRO A 9 -8.022 -10.507 3.580 1.00 0.00 C ATOM 88 O PRO A 9 -8.954 -9.751 3.307 1.00 0.00 O ATOM 89 CB PRO A 9 -6.605 -10.895 1.545 1.00 0.00 C ATOM 90 CG PRO A 9 -7.486 -10.554 0.393 1.00 0.00 C ATOM 91 CD PRO A 9 -8.543 -11.622 0.350 1.00 0.00 C ATOM 0 HA PRO A 9 -7.063 -12.321 3.169 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.125 -10.006 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.810 -11.578 1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.932 -9.568 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.919 -10.528 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.496 -11.230 -0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.264 -12.437 -0.318 1.00 0.00 H new ATOM 99 N GLN A 10 -7.384 -10.480 4.745 1.00 0.00 N ATOM 100 CA GLN A 10 -7.751 -9.536 5.794 1.00 0.00 C ATOM 101 C GLN A 10 -6.552 -8.689 6.208 1.00 0.00 C ATOM 102 O GLN A 10 -5.403 -9.098 6.042 1.00 0.00 O ATOM 103 CB GLN A 10 -8.307 -10.282 7.009 1.00 0.00 C ATOM 104 CG GLN A 10 -9.564 -11.082 6.708 1.00 0.00 C ATOM 105 CD GLN A 10 -10.036 -11.895 7.898 1.00 0.00 C ATOM 106 OE1 GLN A 10 -9.420 -11.873 8.964 1.00 0.00 O ATOM 107 NE2 GLN A 10 -11.135 -12.619 7.721 1.00 0.00 N ATOM 0 H GLN A 10 -6.611 -11.100 4.987 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.521 -8.874 5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.541 -10.955 7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.524 -9.563 7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.358 -10.402 6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.373 -11.751 5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.614 -12.607 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.500 -13.187 8.486 1.00 0.00 H new ATOM 116 N VAL A 11 -6.828 -7.506 6.747 1.00 0.00 N ATOM 117 CA VAL A 11 -5.772 -6.600 7.185 1.00 0.00 C ATOM 118 C VAL A 11 -6.044 -6.080 8.593 1.00 0.00 C ATOM 119 O VAL A 11 -6.722 -5.070 8.771 1.00 0.00 O ATOM 120 CB VAL A 11 -5.626 -5.403 6.227 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.624 -4.400 6.776 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.214 -5.878 4.842 1.00 0.00 C ATOM 0 H VAL A 11 -7.774 -7.152 6.891 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.844 -7.171 7.184 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.592 -4.906 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.534 -3.561 6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.966 -4.037 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.653 -4.881 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.115 -5.020 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.259 -6.400 4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.972 -6.556 4.449 1.00 0.00 H new ATOM 132 N GLU A 12 -5.508 -6.779 9.589 1.00 0.00 N ATOM 133 CA GLU A 12 -5.693 -6.387 10.981 1.00 0.00 C ATOM 134 C GLU A 12 -5.147 -4.984 11.229 1.00 0.00 C ATOM 135 O GLU A 12 -5.903 -4.049 11.489 1.00 0.00 O ATOM 136 CB GLU A 12 -5.002 -7.386 11.912 1.00 0.00 C ATOM 137 CG GLU A 12 -5.649 -7.489 13.283 1.00 0.00 C ATOM 138 CD GLU A 12 -5.378 -8.820 13.958 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.563 -9.866 13.301 1.00 0.00 O ATOM 140 OE2 GLU A 12 -4.981 -8.815 15.141 1.00 0.00 O ATOM 0 H GLU A 12 -4.943 -7.618 9.458 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.763 -6.385 11.191 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.006 -8.370 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.959 -7.095 12.033 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.279 -6.683 13.917 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.725 -7.349 13.184 1.00 0.00 H new ATOM 147 N ALA A 13 -3.827 -4.846 11.147 1.00 0.00 N ATOM 148 CA ALA A 13 -3.179 -3.558 11.360 1.00 0.00 C ATOM 149 C ALA A 13 -1.978 -3.388 10.436 1.00 0.00 C ATOM 150 O ALA A 13 -1.493 -4.355 9.848 1.00 0.00 O ATOM 151 CB ALA A 13 -2.754 -3.415 12.814 1.00 0.00 C ATOM 0 H ALA A 13 -3.186 -5.611 10.935 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.899 -2.774 11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.271 -2.448 12.959 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.631 -3.483 13.458 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.055 -4.211 13.069 1.00 0.00 H new ATOM 157 N TYR A 14 -1.502 -2.154 10.313 1.00 0.00 N ATOM 158 CA TYR A 14 -0.359 -1.857 9.458 1.00 0.00 C ATOM 159 C TYR A 14 0.546 -0.811 10.101 1.00 0.00 C ATOM 160 O TYR A 14 0.070 0.145 10.714 1.00 0.00 O ATOM 161 CB TYR A 14 -0.833 -1.365 8.089 1.00 0.00 C ATOM 162 CG TYR A 14 -1.822 -0.224 8.165 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.387 1.094 8.238 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.190 -0.463 8.165 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.287 2.140 8.309 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.097 0.577 8.233 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.640 1.876 8.305 1.00 0.00 C ATOM 168 OH TYR A 14 -4.541 2.915 8.375 1.00 0.00 O ATOM 0 H TYR A 14 -1.890 -1.343 10.795 1.00 0.00 H new ATOM 0 HA TYR A 14 0.213 -2.776 9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.032 -1.047 7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.290 -2.196 7.552 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.328 1.304 8.239 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.551 -1.479 8.111 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.933 3.159 8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.158 0.374 8.230 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.418 3.507 7.604 1.00 0.00 H new ATOM 178 N SER A 15 1.854 -1.000 9.957 1.00 0.00 N ATOM 179 CA SER A 15 2.827 -0.075 10.526 1.00 0.00 C ATOM 180 C SER A 15 4.067 0.021 9.642 1.00 0.00 C ATOM 181 O SER A 15 4.533 -0.967 9.074 1.00 0.00 O ATOM 182 CB SER A 15 3.224 -0.522 11.934 1.00 0.00 C ATOM 183 OG SER A 15 3.696 0.571 12.702 1.00 0.00 O ATOM 0 H SER A 15 2.264 -1.785 9.451 1.00 0.00 H new ATOM 0 HA SER A 15 2.365 0.911 10.582 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.366 -0.976 12.430 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.997 -1.287 11.871 1.00 0.00 H new ATOM 0 HG SER A 15 3.942 0.259 13.598 1.00 0.00 H new ATOM 189 N PRO A 16 4.615 1.239 9.523 1.00 0.00 N ATOM 190 CA PRO A 16 4.068 2.422 10.195 1.00 0.00 C ATOM 191 C PRO A 16 2.731 2.858 9.604 1.00 0.00 C ATOM 192 O PRO A 16 2.350 2.422 8.518 1.00 0.00 O ATOM 193 CB PRO A 16 5.134 3.493 9.951 1.00 0.00 C ATOM 194 CG PRO A 16 5.829 3.060 8.706 1.00 0.00 C ATOM 195 CD PRO A 16 5.809 1.556 8.723 1.00 0.00 C ATOM 0 HA PRO A 16 3.866 2.234 11.249 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.684 4.479 9.831 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.828 3.559 10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.323 3.447 7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.852 3.437 8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.739 1.144 7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.714 1.147 9.173 1.00 0.00 H new ATOM 203 N SER A 17 2.023 3.721 10.327 1.00 0.00 N ATOM 204 CA SER A 17 0.727 4.213 9.876 1.00 0.00 C ATOM 205 C SER A 17 0.897 5.303 8.822 1.00 0.00 C ATOM 206 O SER A 17 0.007 5.534 8.003 1.00 0.00 O ATOM 207 CB SER A 17 -0.077 4.753 11.060 1.00 0.00 C ATOM 208 OG SER A 17 0.511 5.933 11.580 1.00 0.00 O ATOM 0 H SER A 17 2.326 4.093 11.227 1.00 0.00 H new ATOM 0 HA SER A 17 0.185 3.380 9.428 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.099 4.961 10.745 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.132 3.995 11.842 1.00 0.00 H new ATOM 0 HG SER A 17 -0.022 6.259 12.335 1.00 0.00 H new ATOM 214 N ALA A 18 2.046 5.970 8.849 1.00 0.00 N ATOM 215 CA ALA A 18 2.334 7.034 7.895 1.00 0.00 C ATOM 216 C ALA A 18 3.802 7.018 7.483 1.00 0.00 C ATOM 217 O ALA A 18 4.657 6.514 8.213 1.00 0.00 O ATOM 218 CB ALA A 18 1.965 8.386 8.486 1.00 0.00 C ATOM 0 H ALA A 18 2.792 5.792 9.521 1.00 0.00 H new ATOM 0 HA ALA A 18 1.731 6.863 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.185 9.171 7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.902 8.401 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.543 8.556 9.394 1.00 0.00 H new ATOM 224 N CYS A 19 4.088 7.572 6.310 1.00 0.00 N ATOM 225 CA CYS A 19 5.454 7.620 5.799 1.00 0.00 C ATOM 226 C CYS A 19 5.618 8.753 4.791 1.00 0.00 C ATOM 227 O CYS A 19 4.643 9.395 4.400 1.00 0.00 O ATOM 228 CB CYS A 19 5.825 6.286 5.150 1.00 0.00 C ATOM 229 SG CYS A 19 6.571 5.094 6.286 1.00 0.00 S ATOM 0 H CYS A 19 3.393 7.994 5.695 1.00 0.00 H new ATOM 0 HA CYS A 19 6.124 7.806 6.639 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.929 5.845 4.714 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.519 6.474 4.330 1.00 0.00 H new ATOM 0 HG CYS A 19 6.208 5.369 7.504 1.00 0.00 H new ATOM 235 N SER A 20 6.857 8.995 4.377 1.00 0.00 N ATOM 236 CA SER A 20 7.150 10.054 3.419 1.00 0.00 C ATOM 237 C SER A 20 6.472 9.779 2.080 1.00 0.00 C ATOM 238 O SER A 20 5.914 8.703 1.864 1.00 0.00 O ATOM 239 CB SER A 20 8.661 10.188 3.221 1.00 0.00 C ATOM 240 OG SER A 20 9.289 10.669 4.397 1.00 0.00 O ATOM 0 H SER A 20 7.675 8.472 4.690 1.00 0.00 H new ATOM 0 HA SER A 20 6.759 10.990 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.083 9.220 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.864 10.867 2.393 1.00 0.00 H new ATOM 0 HG SER A 20 10.254 10.744 4.245 1.00 0.00 H new ATOM 246 N VAL A 21 6.526 10.759 1.184 1.00 0.00 N ATOM 247 CA VAL A 21 5.919 10.623 -0.135 1.00 0.00 C ATOM 248 C VAL A 21 6.819 9.828 -1.074 1.00 0.00 C ATOM 249 O VAL A 21 6.382 9.375 -2.132 1.00 0.00 O ATOM 250 CB VAL A 21 5.629 11.999 -0.763 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.337 12.579 -0.205 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.794 12.949 -0.528 1.00 0.00 C ATOM 0 H VAL A 21 6.984 11.656 1.347 1.00 0.00 H new ATOM 0 HA VAL A 21 4.979 10.089 0.002 1.00 0.00 H new ATOM 0 HB VAL A 21 5.507 11.869 -1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.148 13.551 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.509 11.906 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.427 12.695 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.571 13.916 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.950 13.075 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.696 12.537 -0.980 1.00 0.00 H new ATOM 262 N ARG A 22 8.077 9.661 -0.681 1.00 0.00 N ATOM 263 CA ARG A 22 9.038 8.921 -1.488 1.00 0.00 C ATOM 264 C ARG A 22 8.996 7.432 -1.155 1.00 0.00 C ATOM 265 O ARG A 22 9.230 6.586 -2.017 1.00 0.00 O ATOM 266 CB ARG A 22 10.451 9.465 -1.264 1.00 0.00 C ATOM 267 CG ARG A 22 10.762 9.770 0.192 1.00 0.00 C ATOM 268 CD ARG A 22 12.240 10.061 0.396 1.00 0.00 C ATOM 269 NE ARG A 22 12.586 11.428 0.016 1.00 0.00 N ATOM 270 CZ ARG A 22 12.881 11.793 -1.227 1.00 0.00 C ATOM 271 NH1 ARG A 22 12.872 10.898 -2.204 1.00 0.00 N ATOM 272 NH2 ARG A 22 13.186 13.057 -1.494 1.00 0.00 N ATOM 0 H ARG A 22 8.455 10.029 0.192 1.00 0.00 H new ATOM 0 HA ARG A 22 8.769 9.049 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.174 8.739 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.579 10.374 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.173 10.627 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.467 8.924 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.500 9.899 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.832 9.360 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 22 12.602 12.142 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.638 9.926 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.099 11.181 -3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.194 13.749 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.412 13.336 -2.449 1.00 0.00 H new ATOM 286 N GLY A 23 8.697 7.121 0.103 1.00 0.00 N ATOM 287 CA GLY A 23 8.630 5.735 0.528 1.00 0.00 C ATOM 288 C GLY A 23 9.997 5.086 0.605 1.00 0.00 C ATOM 289 O GLY A 23 11.020 5.765 0.524 1.00 0.00 O ATOM 0 H GLY A 23 8.500 7.804 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.150 5.681 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.004 5.175 -0.167 1.00 0.00 H new ATOM 293 N GLY A 24 10.016 3.765 0.763 1.00 0.00 N ATOM 294 CA GLY A 24 11.274 3.047 0.850 1.00 0.00 C ATOM 295 C GLY A 24 11.573 2.570 2.258 1.00 0.00 C ATOM 296 O GLY A 24 12.732 2.507 2.665 1.00 0.00 O ATOM 0 H GLY A 24 9.183 3.180 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.247 2.190 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.082 3.694 0.509 1.00 0.00 H new ATOM 300 N GLU A 25 10.524 2.236 3.003 1.00 0.00 N ATOM 301 CA GLU A 25 10.681 1.766 4.375 1.00 0.00 C ATOM 302 C GLU A 25 10.103 0.363 4.538 1.00 0.00 C ATOM 303 O GLU A 25 9.445 -0.157 3.637 1.00 0.00 O ATOM 304 CB GLU A 25 9.997 2.727 5.349 1.00 0.00 C ATOM 305 CG GLU A 25 10.610 4.117 5.363 1.00 0.00 C ATOM 306 CD GLU A 25 10.638 4.757 3.988 1.00 0.00 C ATOM 307 OE1 GLU A 25 9.556 5.114 3.477 1.00 0.00 O ATOM 308 OE2 GLU A 25 11.743 4.900 3.424 1.00 0.00 O ATOM 0 H GLU A 25 9.557 2.282 2.680 1.00 0.00 H new ATOM 0 HA GLU A 25 11.747 1.730 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.942 2.807 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.045 2.308 6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.044 4.753 6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.626 4.058 5.753 1.00 0.00 H new ATOM 315 N GLU A 26 10.356 -0.244 5.693 1.00 0.00 N ATOM 316 CA GLU A 26 9.863 -1.587 5.974 1.00 0.00 C ATOM 317 C GLU A 26 8.407 -1.548 6.432 1.00 0.00 C ATOM 318 O GLU A 26 8.119 -1.277 7.598 1.00 0.00 O ATOM 319 CB GLU A 26 10.727 -2.259 7.043 1.00 0.00 C ATOM 320 CG GLU A 26 10.424 -3.736 7.231 1.00 0.00 C ATOM 321 CD GLU A 26 11.520 -4.466 7.983 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.663 -4.498 7.480 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.235 -5.004 9.073 1.00 0.00 O ATOM 0 H GLU A 26 10.899 0.173 6.449 1.00 0.00 H new ATOM 0 HA GLU A 26 9.921 -2.167 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.777 -2.144 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.582 -1.743 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.484 -3.844 7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.286 -4.202 6.255 1.00 0.00 H new ATOM 330 N LEU A 27 7.494 -1.819 5.506 1.00 0.00 N ATOM 331 CA LEU A 27 6.068 -1.814 5.813 1.00 0.00 C ATOM 332 C LEU A 27 5.567 -3.227 6.092 1.00 0.00 C ATOM 333 O LEU A 27 5.540 -4.075 5.200 1.00 0.00 O ATOM 334 CB LEU A 27 5.279 -1.200 4.655 1.00 0.00 C ATOM 335 CG LEU A 27 3.758 -1.193 4.809 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.338 -0.245 5.921 1.00 0.00 C ATOM 337 CD2 LEU A 27 3.091 -0.808 3.496 1.00 0.00 C ATOM 0 H LEU A 27 7.716 -2.045 4.536 1.00 0.00 H new ATOM 0 HA LEU A 27 5.916 -1.211 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.615 -0.172 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.529 -1.742 3.743 1.00 0.00 H new ATOM 0 HG LEU A 27 3.434 -2.199 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.252 -0.254 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.787 -0.566 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.674 0.765 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.009 -0.808 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.421 0.187 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.365 -1.527 2.724 1.00 0.00 H new ATOM 349 N VAL A 28 5.167 -3.473 7.336 1.00 0.00 N ATOM 350 CA VAL A 28 4.663 -4.783 7.732 1.00 0.00 C ATOM 351 C VAL A 28 3.141 -4.782 7.820 1.00 0.00 C ATOM 352 O VAL A 28 2.558 -4.117 8.678 1.00 0.00 O ATOM 353 CB VAL A 28 5.245 -5.221 9.089 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.673 -6.568 9.505 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.763 -5.275 9.025 1.00 0.00 C ATOM 0 H VAL A 28 5.182 -2.782 8.087 1.00 0.00 H new ATOM 0 HA VAL A 28 4.979 -5.490 6.965 1.00 0.00 H new ATOM 0 HB VAL A 28 4.962 -4.484 9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.095 -6.862 10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.589 -6.492 9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.924 -7.317 8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.157 -5.586 9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.070 -5.990 8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.152 -4.288 8.775 1.00 0.00 H new ATOM 365 N LEU A 29 2.502 -5.530 6.928 1.00 0.00 N ATOM 366 CA LEU A 29 1.046 -5.616 6.904 1.00 0.00 C ATOM 367 C LEU A 29 0.555 -6.779 7.762 1.00 0.00 C ATOM 368 O LEU A 29 0.722 -7.944 7.401 1.00 0.00 O ATOM 369 CB LEU A 29 0.548 -5.782 5.467 1.00 0.00 C ATOM 370 CG LEU A 29 0.765 -4.587 4.540 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.596 -5.001 3.086 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.196 -3.459 4.889 1.00 0.00 C ATOM 0 H LEU A 29 2.969 -6.086 6.212 1.00 0.00 H new ATOM 0 HA LEU A 29 0.645 -4.690 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.042 -6.650 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.519 -6.004 5.497 1.00 0.00 H new ATOM 0 HG LEU A 29 1.784 -4.226 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.754 -4.137 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.324 -5.775 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.411 -5.389 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.027 -2.616 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.223 -3.809 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.028 -3.143 5.918 1.00 0.00 H new ATOM 384 N THR A 30 -0.052 -6.454 8.899 1.00 0.00 N ATOM 385 CA THR A 30 -0.568 -7.470 9.807 1.00 0.00 C ATOM 386 C THR A 30 -1.980 -7.890 9.417 1.00 0.00 C ATOM 387 O THR A 30 -2.820 -7.052 9.090 1.00 0.00 O ATOM 388 CB THR A 30 -0.578 -6.968 11.264 1.00 0.00 C ATOM 389 OG1 THR A 30 0.708 -6.441 11.609 1.00 0.00 O ATOM 390 CG2 THR A 30 -0.945 -8.092 12.221 1.00 0.00 C ATOM 0 H THR A 30 -0.198 -5.495 9.213 1.00 0.00 H new ATOM 0 HA THR A 30 0.098 -8.330 9.731 1.00 0.00 H new ATOM 0 HB THR A 30 -1.327 -6.181 11.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.693 -6.122 12.536 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.946 -7.714 13.243 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.937 -8.471 11.974 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.216 -8.898 12.133 1.00 0.00 H new ATOM 398 N GLY A 31 -2.237 -9.194 9.455 1.00 0.00 N ATOM 399 CA GLY A 31 -3.550 -9.703 9.104 1.00 0.00 C ATOM 400 C GLY A 31 -3.588 -11.217 9.045 1.00 0.00 C ATOM 401 O GLY A 31 -3.080 -11.893 9.940 1.00 0.00 O ATOM 0 H GLY A 31 -1.559 -9.907 9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.279 -9.353 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.847 -9.297 8.137 1.00 0.00 H new ATOM 405 N SER A 32 -4.193 -11.751 7.989 1.00 0.00 N ATOM 406 CA SER A 32 -4.301 -13.196 7.820 1.00 0.00 C ATOM 407 C SER A 32 -4.784 -13.543 6.415 1.00 0.00 C ATOM 408 O SER A 32 -5.161 -12.665 5.641 1.00 0.00 O ATOM 409 CB SER A 32 -5.258 -13.782 8.860 1.00 0.00 C ATOM 410 OG SER A 32 -6.566 -13.261 8.701 1.00 0.00 O ATOM 0 H SER A 32 -4.616 -11.206 7.238 1.00 0.00 H new ATOM 0 HA SER A 32 -3.311 -13.629 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.282 -14.868 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.893 -13.557 9.862 1.00 0.00 H new ATOM 0 HG SER A 32 -7.158 -13.652 9.377 1.00 0.00 H new ATOM 416 N ASN A 33 -4.768 -14.833 6.093 1.00 0.00 N ATOM 417 CA ASN A 33 -5.203 -15.298 4.781 1.00 0.00 C ATOM 418 C ASN A 33 -4.317 -14.725 3.679 1.00 0.00 C ATOM 419 O ASN A 33 -4.804 -14.330 2.619 1.00 0.00 O ATOM 420 CB ASN A 33 -6.661 -14.905 4.535 1.00 0.00 C ATOM 421 CG ASN A 33 -7.637 -15.860 5.196 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.481 -16.212 6.365 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.649 -16.283 4.448 1.00 0.00 N ATOM 0 H ASN A 33 -4.459 -15.574 6.722 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.119 -16.385 4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.831 -13.897 4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.852 -14.880 3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.337 -16.927 4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.738 -15.964 3.483 1.00 0.00 H new ATOM 430 N PHE A 34 -3.014 -14.682 3.937 1.00 0.00 N ATOM 431 CA PHE A 34 -2.060 -14.157 2.967 1.00 0.00 C ATOM 432 C PHE A 34 -1.484 -15.278 2.108 1.00 0.00 C ATOM 433 O PHE A 34 -1.345 -16.415 2.562 1.00 0.00 O ATOM 434 CB PHE A 34 -0.929 -13.415 3.683 1.00 0.00 C ATOM 435 CG PHE A 34 -1.395 -12.218 4.461 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.357 -11.368 3.939 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.871 -11.942 5.714 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.789 -10.265 4.652 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.299 -10.841 6.431 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.258 -10.001 5.900 1.00 0.00 C ATOM 0 H PHE A 34 -2.595 -15.004 4.809 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.588 -13.460 2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.425 -14.104 4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.192 -13.095 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.774 -11.570 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.120 -12.594 6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.540 -9.611 4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.883 -10.637 7.407 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.592 -9.140 6.459 1.00 0.00 H new ATOM 450 N LEU A 35 -1.151 -14.951 0.865 1.00 0.00 N ATOM 451 CA LEU A 35 -0.590 -15.930 -0.060 1.00 0.00 C ATOM 452 C LEU A 35 0.827 -15.544 -0.469 1.00 0.00 C ATOM 453 O LEU A 35 1.208 -14.373 -0.449 1.00 0.00 O ATOM 454 CB LEU A 35 -1.476 -16.054 -1.302 1.00 0.00 C ATOM 455 CG LEU A 35 -2.849 -16.690 -1.086 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.842 -16.179 -2.118 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.750 -18.207 -1.144 1.00 0.00 C ATOM 0 H LEU A 35 -1.260 -14.015 0.474 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.551 -16.893 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.621 -15.058 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.940 -16.639 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.207 -16.407 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.814 -16.643 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.936 -15.097 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.489 -16.431 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.737 -18.642 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.370 -18.510 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.072 -18.557 -0.366 1.00 0.00 H new ATOM 469 N PRO A 36 1.628 -16.549 -0.852 1.00 0.00 N ATOM 470 CA PRO A 36 3.016 -16.339 -1.275 1.00 0.00 C ATOM 471 C PRO A 36 3.109 -15.623 -2.619 1.00 0.00 C ATOM 472 O PRO A 36 4.203 -15.388 -3.132 1.00 0.00 O ATOM 473 CB PRO A 36 3.572 -17.761 -1.387 1.00 0.00 C ATOM 474 CG PRO A 36 2.379 -18.616 -1.641 1.00 0.00 C ATOM 475 CD PRO A 36 1.241 -17.969 -0.900 1.00 0.00 C ATOM 0 HA PRO A 36 3.564 -15.707 -0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.296 -17.840 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.085 -18.059 -0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.164 -18.679 -2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.546 -19.634 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.293 -18.110 -1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.123 -18.387 0.100 1.00 0.00 H new ATOM 483 N ASP A 37 1.956 -15.280 -3.182 1.00 0.00 N ATOM 484 CA ASP A 37 1.909 -14.589 -4.466 1.00 0.00 C ATOM 485 C ASP A 37 1.146 -13.273 -4.347 1.00 0.00 C ATOM 486 O ASP A 37 1.138 -12.463 -5.273 1.00 0.00 O ATOM 487 CB ASP A 37 1.254 -15.479 -5.523 1.00 0.00 C ATOM 488 CG ASP A 37 0.004 -16.166 -5.009 1.00 0.00 C ATOM 489 OD1 ASP A 37 -1.037 -15.487 -4.883 1.00 0.00 O ATOM 490 OD2 ASP A 37 0.067 -17.382 -4.734 1.00 0.00 O ATOM 0 H ASP A 37 1.042 -15.469 -2.770 1.00 0.00 H new ATOM 0 HA ASP A 37 2.932 -14.368 -4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.001 -14.876 -6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.969 -16.232 -5.853 1.00 0.00 H new ATOM 495 N SER A 38 0.504 -13.069 -3.201 1.00 0.00 N ATOM 496 CA SER A 38 -0.266 -11.854 -2.962 1.00 0.00 C ATOM 497 C SER A 38 0.549 -10.615 -3.321 1.00 0.00 C ATOM 498 O SER A 38 1.779 -10.634 -3.282 1.00 0.00 O ATOM 499 CB SER A 38 -0.707 -11.783 -1.499 1.00 0.00 C ATOM 500 OG SER A 38 -1.593 -12.842 -1.181 1.00 0.00 O ATOM 0 H SER A 38 0.502 -13.729 -2.424 1.00 0.00 H new ATOM 0 HA SER A 38 -1.150 -11.883 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.167 -11.829 -0.850 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.195 -10.827 -1.309 1.00 0.00 H new ATOM 0 HG SER A 38 -2.331 -12.856 -1.826 1.00 0.00 H new ATOM 506 N LYS A 39 -0.147 -9.538 -3.670 1.00 0.00 N ATOM 507 CA LYS A 39 0.510 -8.288 -4.035 1.00 0.00 C ATOM 508 C LYS A 39 -0.146 -7.104 -3.332 1.00 0.00 C ATOM 509 O LYS A 39 -1.237 -7.227 -2.774 1.00 0.00 O ATOM 510 CB LYS A 39 0.461 -8.086 -5.551 1.00 0.00 C ATOM 511 CG LYS A 39 1.224 -9.143 -6.330 1.00 0.00 C ATOM 512 CD LYS A 39 1.478 -8.704 -7.763 1.00 0.00 C ATOM 513 CE LYS A 39 0.284 -9.001 -8.657 1.00 0.00 C ATOM 514 NZ LYS A 39 0.117 -10.462 -8.893 1.00 0.00 N ATOM 0 H LYS A 39 -1.166 -9.506 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 39 1.551 -8.346 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.579 -8.088 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.869 -7.104 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.175 -9.345 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.660 -10.076 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.693 -7.636 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.360 -9.215 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.621 -8.601 -8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.410 -8.491 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.477 -10.612 -9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.049 -10.898 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.338 -10.898 -8.065 1.00 0.00 H new ATOM 528 N VAL A 40 0.524 -5.956 -3.365 1.00 0.00 N ATOM 529 CA VAL A 40 0.005 -4.749 -2.734 1.00 0.00 C ATOM 530 C VAL A 40 0.136 -3.545 -3.659 1.00 0.00 C ATOM 531 O VAL A 40 1.244 -3.131 -4.003 1.00 0.00 O ATOM 532 CB VAL A 40 0.735 -4.449 -1.411 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.234 -3.145 -0.808 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.559 -5.601 -0.433 1.00 0.00 C ATOM 0 H VAL A 40 1.428 -5.837 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.050 -4.929 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 40 1.799 -4.339 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.761 -2.950 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.417 -2.328 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.835 -3.222 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.081 -5.372 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.502 -5.745 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.971 -6.512 -0.866 1.00 0.00 H new ATOM 544 N VAL A 41 -1.001 -2.985 -4.058 1.00 0.00 N ATOM 545 CA VAL A 41 -1.014 -1.826 -4.943 1.00 0.00 C ATOM 546 C VAL A 41 -1.656 -0.622 -4.263 1.00 0.00 C ATOM 547 O VAL A 41 -2.499 -0.772 -3.378 1.00 0.00 O ATOM 548 CB VAL A 41 -1.769 -2.126 -6.251 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.303 -3.447 -6.846 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.270 -2.142 -6.007 1.00 0.00 C ATOM 0 H VAL A 41 -1.926 -3.315 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 41 0.025 -1.596 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.549 -1.335 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.848 -3.642 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.235 -3.394 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.492 -4.252 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.788 -2.355 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.511 -2.912 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.588 -1.170 -5.630 1.00 0.00 H new ATOM 560 N PHE A 42 -1.253 0.572 -4.682 1.00 0.00 N ATOM 561 CA PHE A 42 -1.789 1.803 -4.113 1.00 0.00 C ATOM 562 C PHE A 42 -2.715 2.502 -5.104 1.00 0.00 C ATOM 563 O PHE A 42 -2.710 2.197 -6.297 1.00 0.00 O ATOM 564 CB PHE A 42 -0.650 2.743 -3.712 1.00 0.00 C ATOM 565 CG PHE A 42 0.105 2.287 -2.497 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.865 1.128 -2.532 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.055 3.015 -1.320 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.560 0.705 -1.415 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.748 2.598 -0.199 1.00 0.00 C ATOM 570 CZ PHE A 42 1.502 1.442 -0.247 1.00 0.00 C ATOM 0 H PHE A 42 -0.557 0.714 -5.414 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.365 1.543 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.044 2.836 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.058 3.736 -3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.914 0.549 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.533 3.920 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.148 -0.200 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.700 3.175 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.046 1.114 0.627 1.00 0.00 H new ATOM 580 N ILE A 43 -3.510 3.441 -4.601 1.00 0.00 N ATOM 581 CA ILE A 43 -4.442 4.183 -5.441 1.00 0.00 C ATOM 582 C ILE A 43 -4.456 5.662 -5.072 1.00 0.00 C ATOM 583 O ILE A 43 -4.020 6.045 -3.987 1.00 0.00 O ATOM 584 CB ILE A 43 -5.872 3.623 -5.326 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.368 3.723 -3.882 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.917 2.182 -5.809 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.861 3.526 -3.740 1.00 0.00 C ATOM 0 H ILE A 43 -3.527 3.706 -3.616 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.098 4.071 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.531 4.218 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.852 2.977 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.099 4.700 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.934 1.800 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.601 2.138 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.248 1.573 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.141 3.610 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.385 4.288 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.134 2.538 -4.110 1.00 0.00 H new ATOM 599 N GLU A 44 -4.960 6.489 -5.983 1.00 0.00 N ATOM 600 CA GLU A 44 -5.032 7.927 -5.752 1.00 0.00 C ATOM 601 C GLU A 44 -6.272 8.523 -6.412 1.00 0.00 C ATOM 602 O GLU A 44 -6.507 8.330 -7.605 1.00 0.00 O ATOM 603 CB GLU A 44 -3.775 8.615 -6.288 1.00 0.00 C ATOM 604 CG GLU A 44 -3.851 10.132 -6.257 1.00 0.00 C ATOM 605 CD GLU A 44 -2.968 10.783 -7.305 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.825 10.316 -7.489 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.421 11.758 -7.940 1.00 0.00 O ATOM 0 H GLU A 44 -5.324 6.188 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.099 8.094 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.915 8.291 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.602 8.289 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.884 10.443 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.557 10.487 -5.269 1.00 0.00 H new ATOM 614 N ARG A 45 -7.062 9.247 -5.626 1.00 0.00 N ATOM 615 CA ARG A 45 -8.279 9.870 -6.132 1.00 0.00 C ATOM 616 C ARG A 45 -7.986 11.256 -6.699 1.00 0.00 C ATOM 617 O ARG A 45 -7.247 12.038 -6.102 1.00 0.00 O ATOM 618 CB ARG A 45 -9.326 9.973 -5.021 1.00 0.00 C ATOM 619 CG ARG A 45 -9.808 8.624 -4.512 1.00 0.00 C ATOM 620 CD ARG A 45 -10.458 8.745 -3.143 1.00 0.00 C ATOM 621 NE ARG A 45 -11.316 7.602 -2.841 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.052 7.507 -1.739 1.00 0.00 C ATOM 623 NH1 ARG A 45 -12.035 8.481 -0.840 1.00 0.00 N ATOM 624 NH2 ARG A 45 -12.807 6.435 -1.536 1.00 0.00 N ATOM 0 H ARG A 45 -6.881 9.417 -4.637 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.670 9.244 -6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.906 10.537 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.181 10.539 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.522 8.201 -5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.967 7.933 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.684 8.828 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.047 9.661 -3.101 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.352 6.835 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.456 9.306 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.601 8.405 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.822 5.684 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.372 6.362 -0.690 1.00 0.00 H new ATOM 638 N GLY A 46 -8.570 11.554 -7.855 1.00 0.00 N ATOM 639 CA GLY A 46 -8.358 12.845 -8.483 1.00 0.00 C ATOM 640 C GLY A 46 -9.546 13.772 -8.318 1.00 0.00 C ATOM 641 O GLY A 46 -10.624 13.363 -7.885 1.00 0.00 O ATOM 0 H GLY A 46 -9.187 10.924 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.473 13.314 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.158 12.701 -9.545 1.00 0.00 H new ATOM 645 N PRO A 47 -9.355 15.053 -8.666 1.00 0.00 N ATOM 646 CA PRO A 47 -10.408 16.067 -8.562 1.00 0.00 C ATOM 647 C PRO A 47 -11.522 15.854 -9.581 1.00 0.00 C ATOM 648 O PRO A 47 -12.534 16.554 -9.564 1.00 0.00 O ATOM 649 CB PRO A 47 -9.668 17.377 -8.845 1.00 0.00 C ATOM 650 CG PRO A 47 -8.494 16.978 -9.670 1.00 0.00 C ATOM 651 CD PRO A 47 -8.097 15.610 -9.190 1.00 0.00 C ATOM 0 HA PRO A 47 -10.903 16.042 -7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.304 18.084 -9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.356 17.863 -7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.749 16.961 -10.730 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.674 17.687 -9.551 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.695 15.001 -10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.329 15.662 -8.419 1.00 0.00 H new ATOM 659 N ASP A 48 -11.329 14.882 -10.467 1.00 0.00 N ATOM 660 CA ASP A 48 -12.318 14.576 -11.493 1.00 0.00 C ATOM 661 C ASP A 48 -13.454 13.734 -10.919 1.00 0.00 C ATOM 662 O ASP A 48 -14.616 13.913 -11.278 1.00 0.00 O ATOM 663 CB ASP A 48 -11.661 13.839 -12.661 1.00 0.00 C ATOM 664 CG ASP A 48 -11.238 12.431 -12.294 1.00 0.00 C ATOM 665 OD1 ASP A 48 -10.351 12.285 -11.427 1.00 0.00 O ATOM 666 OD2 ASP A 48 -11.794 11.474 -12.873 1.00 0.00 O ATOM 0 H ASP A 48 -10.497 14.293 -10.495 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.733 15.517 -11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.357 13.799 -13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.790 14.401 -12.997 1.00 0.00 H new ATOM 671 N GLY A 49 -13.107 12.813 -10.025 1.00 0.00 N ATOM 672 CA GLY A 49 -14.108 11.956 -9.416 1.00 0.00 C ATOM 673 C GLY A 49 -13.699 10.496 -9.417 1.00 0.00 C ATOM 674 O GLY A 49 -14.194 9.705 -8.613 1.00 0.00 O ATOM 0 H GLY A 49 -12.151 12.645 -9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.284 12.280 -8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.051 12.066 -9.952 1.00 0.00 H new ATOM 678 N LYS A 50 -12.795 10.137 -10.321 1.00 0.00 N ATOM 679 CA LYS A 50 -12.319 8.762 -10.424 1.00 0.00 C ATOM 680 C LYS A 50 -10.856 8.660 -10.006 1.00 0.00 C ATOM 681 O LYS A 50 -10.089 9.612 -10.156 1.00 0.00 O ATOM 682 CB LYS A 50 -12.489 8.248 -11.856 1.00 0.00 C ATOM 683 CG LYS A 50 -13.935 8.198 -12.316 1.00 0.00 C ATOM 684 CD LYS A 50 -14.156 7.097 -13.340 1.00 0.00 C ATOM 685 CE LYS A 50 -14.404 5.754 -12.670 1.00 0.00 C ATOM 686 NZ LYS A 50 -14.560 4.658 -13.665 1.00 0.00 N ATOM 0 H LYS A 50 -12.376 10.779 -10.994 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.914 8.146 -9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.923 8.888 -12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.059 7.249 -11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.586 8.033 -11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.214 9.159 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.007 7.352 -13.972 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.285 7.024 -13.991 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.574 5.523 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.301 5.816 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.727 3.760 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.368 4.866 -14.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.694 4.582 -14.236 1.00 0.00 H new ATOM 700 N LEU A 51 -10.475 7.501 -9.482 1.00 0.00 N ATOM 701 CA LEU A 51 -9.102 7.274 -9.044 1.00 0.00 C ATOM 702 C LEU A 51 -8.343 6.416 -10.052 1.00 0.00 C ATOM 703 O LEU A 51 -8.850 5.397 -10.519 1.00 0.00 O ATOM 704 CB LEU A 51 -9.089 6.599 -7.671 1.00 0.00 C ATOM 705 CG LEU A 51 -10.079 5.448 -7.480 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.690 4.260 -8.345 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.148 5.043 -6.014 1.00 0.00 C ATOM 0 H LEU A 51 -11.097 6.704 -9.350 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.605 8.242 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.084 6.222 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.292 7.356 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.067 5.788 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.406 3.451 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.692 4.557 -9.394 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.693 3.918 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.857 4.223 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.162 4.721 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.475 5.894 -5.416 1.00 0.00 H new ATOM 719 N GLN A 52 -7.125 6.836 -10.379 1.00 0.00 N ATOM 720 CA GLN A 52 -6.296 6.105 -11.331 1.00 0.00 C ATOM 721 C GLN A 52 -4.815 6.341 -11.056 1.00 0.00 C ATOM 722 O GLN A 52 -4.280 7.407 -11.360 1.00 0.00 O ATOM 723 CB GLN A 52 -6.635 6.525 -12.762 1.00 0.00 C ATOM 724 CG GLN A 52 -8.069 6.219 -13.163 1.00 0.00 C ATOM 725 CD GLN A 52 -8.298 6.350 -14.655 1.00 0.00 C ATOM 726 OE1 GLN A 52 -7.416 6.787 -15.395 1.00 0.00 O ATOM 727 NE2 GLN A 52 -9.489 5.973 -15.107 1.00 0.00 N ATOM 0 H GLN A 52 -6.691 7.677 -10.000 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.503 5.041 -11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.457 7.595 -12.869 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.958 6.019 -13.450 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.322 5.207 -12.848 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.742 6.895 -12.635 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.191 5.616 -14.459 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.701 6.040 -16.102 1.00 0.00 H new ATOM 736 N TRP A 53 -4.159 5.341 -10.478 1.00 0.00 N ATOM 737 CA TRP A 53 -2.738 5.441 -10.162 1.00 0.00 C ATOM 738 C TRP A 53 -2.082 4.065 -10.164 1.00 0.00 C ATOM 739 O TRP A 53 -2.305 3.261 -9.259 1.00 0.00 O ATOM 740 CB TRP A 53 -2.544 6.111 -8.801 1.00 0.00 C ATOM 741 CG TRP A 53 -1.112 6.432 -8.496 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.180 6.924 -9.364 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.450 6.281 -7.235 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.022 7.088 -8.719 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.883 6.702 -7.412 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.853 5.833 -5.974 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.812 6.686 -6.375 1.00 0.00 C ATOM 748 CZ3 TRP A 53 0.070 5.818 -4.946 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.390 6.243 -5.151 1.00 0.00 C ATOM 0 H TRP A 53 -4.588 4.452 -10.219 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.262 6.050 -10.930 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.130 7.030 -8.770 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.936 5.456 -8.023 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.361 7.151 -10.404 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.879 7.440 -9.145 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.868 5.504 -5.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.830 7.012 -6.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.231 5.473 -3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.088 6.220 -4.327 1.00 0.00 H new ATOM 760 N GLU A 54 -1.273 3.801 -11.185 1.00 0.00 N ATOM 761 CA GLU A 54 -0.586 2.520 -11.303 1.00 0.00 C ATOM 762 C GLU A 54 0.777 2.569 -10.617 1.00 0.00 C ATOM 763 O GLU A 54 1.720 3.169 -11.132 1.00 0.00 O ATOM 764 CB GLU A 54 -0.415 2.141 -12.775 1.00 0.00 C ATOM 765 CG GLU A 54 -0.347 0.642 -13.014 1.00 0.00 C ATOM 766 CD GLU A 54 -0.417 0.282 -14.485 1.00 0.00 C ATOM 767 OE1 GLU A 54 -1.540 0.224 -15.029 1.00 0.00 O ATOM 768 OE2 GLU A 54 0.651 0.058 -15.092 1.00 0.00 O ATOM 0 H GLU A 54 -1.077 4.456 -11.942 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.195 1.763 -10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.246 2.554 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.495 2.603 -13.157 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.579 0.252 -12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.167 0.156 -12.485 1.00 0.00 H new ATOM 775 N GLU A 55 0.870 1.934 -9.453 1.00 0.00 N ATOM 776 CA GLU A 55 2.117 1.906 -8.697 1.00 0.00 C ATOM 777 C GLU A 55 2.262 0.592 -7.935 1.00 0.00 C ATOM 778 O GLU A 55 1.551 0.347 -6.960 1.00 0.00 O ATOM 779 CB GLU A 55 2.173 3.083 -7.721 1.00 0.00 C ATOM 780 CG GLU A 55 2.796 4.336 -8.314 1.00 0.00 C ATOM 781 CD GLU A 55 4.056 4.043 -9.106 1.00 0.00 C ATOM 782 OE1 GLU A 55 4.862 3.205 -8.650 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.235 4.651 -10.181 1.00 0.00 O ATOM 0 H GLU A 55 0.098 1.433 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 55 2.943 1.989 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.162 3.314 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.742 2.787 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.070 4.826 -8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.030 5.035 -7.511 1.00 0.00 H new ATOM 790 N GLU A 56 3.186 -0.249 -8.387 1.00 0.00 N ATOM 791 CA GLU A 56 3.423 -1.538 -7.749 1.00 0.00 C ATOM 792 C GLU A 56 4.378 -1.393 -6.567 1.00 0.00 C ATOM 793 O GLU A 56 5.193 -0.472 -6.523 1.00 0.00 O ATOM 794 CB GLU A 56 3.994 -2.536 -8.759 1.00 0.00 C ATOM 795 CG GLU A 56 2.937 -3.410 -9.414 1.00 0.00 C ATOM 796 CD GLU A 56 3.354 -3.897 -10.788 1.00 0.00 C ATOM 797 OE1 GLU A 56 3.120 -3.167 -11.774 1.00 0.00 O ATOM 798 OE2 GLU A 56 3.915 -5.010 -10.877 1.00 0.00 O ATOM 0 H GLU A 56 3.783 -0.061 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 56 2.468 -1.912 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.532 -1.989 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.721 -3.174 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.733 -4.269 -8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.007 -2.848 -9.498 1.00 0.00 H new ATOM 805 N ALA A 57 4.268 -2.308 -5.610 1.00 0.00 N ATOM 806 CA ALA A 57 5.122 -2.284 -4.428 1.00 0.00 C ATOM 807 C ALA A 57 5.968 -3.549 -4.336 1.00 0.00 C ATOM 808 O ALA A 57 5.450 -4.663 -4.413 1.00 0.00 O ATOM 809 CB ALA A 57 4.279 -2.118 -3.172 1.00 0.00 C ATOM 0 H ALA A 57 3.596 -3.075 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 57 5.797 -1.433 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.929 -2.102 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.723 -1.182 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.581 -2.951 -3.090 1.00 0.00 H new ATOM 815 N THR A 58 7.275 -3.370 -4.171 1.00 0.00 N ATOM 816 CA THR A 58 8.194 -4.497 -4.070 1.00 0.00 C ATOM 817 C THR A 58 7.873 -5.362 -2.857 1.00 0.00 C ATOM 818 O THR A 58 8.294 -5.063 -1.739 1.00 0.00 O ATOM 819 CB THR A 58 9.656 -4.022 -3.975 1.00 0.00 C ATOM 820 OG1 THR A 58 9.990 -3.231 -5.121 1.00 0.00 O ATOM 821 CG2 THR A 58 10.605 -5.208 -3.879 1.00 0.00 C ATOM 0 H THR A 58 7.721 -2.455 -4.104 1.00 0.00 H new ATOM 0 HA THR A 58 8.070 -5.088 -4.977 1.00 0.00 H new ATOM 0 HB THR A 58 9.760 -3.418 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.921 -2.932 -5.052 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.632 -4.848 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.368 -5.793 -2.990 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.496 -5.834 -4.765 1.00 0.00 H new ATOM 829 N VAL A 59 7.124 -6.436 -3.083 1.00 0.00 N ATOM 830 CA VAL A 59 6.747 -7.346 -2.008 1.00 0.00 C ATOM 831 C VAL A 59 7.966 -8.075 -1.453 1.00 0.00 C ATOM 832 O VAL A 59 8.826 -8.529 -2.206 1.00 0.00 O ATOM 833 CB VAL A 59 5.715 -8.384 -2.487 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.388 -9.366 -1.372 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.456 -7.693 -2.986 1.00 0.00 C ATOM 0 H VAL A 59 6.766 -6.698 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 59 6.301 -6.739 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 59 6.147 -8.944 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.657 -10.092 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.296 -9.886 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.976 -8.825 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.738 -8.442 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.019 -7.106 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.707 -7.035 -3.818 1.00 0.00 H new ATOM 845 N ASN A 60 8.032 -8.183 -0.130 1.00 0.00 N ATOM 846 CA ASN A 60 9.145 -8.858 0.527 1.00 0.00 C ATOM 847 C ASN A 60 8.849 -10.343 0.714 1.00 0.00 C ATOM 848 O ASN A 60 7.969 -10.718 1.489 1.00 0.00 O ATOM 849 CB ASN A 60 9.433 -8.210 1.883 1.00 0.00 C ATOM 850 CG ASN A 60 10.708 -8.734 2.516 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.695 -8.991 1.827 1.00 0.00 O ATOM 852 ND2 ASN A 60 10.691 -8.895 3.834 1.00 0.00 N ATOM 0 H ASN A 60 7.328 -7.812 0.508 1.00 0.00 H new ATOM 0 HA ASN A 60 10.024 -8.759 -0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.510 -7.130 1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.595 -8.393 2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.519 -9.245 4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.850 -8.669 4.365 1.00 0.00 H new ATOM 859 N ARG A 61 9.589 -11.183 -0.002 1.00 0.00 N ATOM 860 CA ARG A 61 9.406 -12.626 0.084 1.00 0.00 C ATOM 861 C ARG A 61 10.436 -13.251 1.020 1.00 0.00 C ATOM 862 O ARG A 61 10.912 -14.362 0.785 1.00 0.00 O ATOM 863 CB ARG A 61 9.513 -13.259 -1.305 1.00 0.00 C ATOM 864 CG ARG A 61 8.472 -12.751 -2.288 1.00 0.00 C ATOM 865 CD ARG A 61 7.069 -13.178 -1.884 1.00 0.00 C ATOM 866 NE ARG A 61 6.107 -12.992 -2.966 1.00 0.00 N ATOM 867 CZ ARG A 61 6.132 -13.683 -4.100 1.00 0.00 C ATOM 868 NH1 ARG A 61 7.067 -14.603 -4.298 1.00 0.00 N ATOM 869 NH2 ARG A 61 5.222 -13.456 -5.038 1.00 0.00 N ATOM 0 H ARG A 61 10.321 -10.889 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 61 8.412 -12.817 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.507 -13.064 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.414 -14.340 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.521 -11.663 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.696 -13.130 -3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.081 -14.226 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.752 -12.603 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 61 5.375 -12.292 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.768 -14.781 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.085 -15.133 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.501 -12.750 -4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.243 -13.988 -5.908 1.00 0.00 H new ATOM 883 N LEU A 62 10.776 -12.529 2.083 1.00 0.00 N ATOM 884 CA LEU A 62 11.750 -13.012 3.055 1.00 0.00 C ATOM 885 C LEU A 62 11.179 -12.963 4.469 1.00 0.00 C ATOM 886 O LEU A 62 11.476 -13.822 5.298 1.00 0.00 O ATOM 887 CB LEU A 62 13.030 -12.178 2.981 1.00 0.00 C ATOM 888 CG LEU A 62 13.759 -12.185 1.637 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.659 -10.966 1.511 1.00 0.00 C ATOM 890 CD2 LEU A 62 14.565 -13.465 1.474 1.00 0.00 C ATOM 0 H LEU A 62 10.392 -11.608 2.293 1.00 0.00 H new ATOM 0 HA LEU A 62 11.984 -14.049 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.783 -11.147 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.718 -12.536 3.747 1.00 0.00 H new ATOM 0 HG LEU A 62 13.015 -12.145 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.169 -10.989 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.057 -10.060 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.397 -10.974 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.077 -13.453 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.300 -13.537 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.896 -14.324 1.518 1.00 0.00 H new ATOM 902 N GLN A 63 10.356 -11.953 4.734 1.00 0.00 N ATOM 903 CA GLN A 63 9.742 -11.793 6.047 1.00 0.00 C ATOM 904 C GLN A 63 8.222 -11.750 5.935 1.00 0.00 C ATOM 905 O GLN A 63 7.558 -11.001 6.652 1.00 0.00 O ATOM 906 CB GLN A 63 10.253 -10.518 6.721 1.00 0.00 C ATOM 907 CG GLN A 63 11.643 -10.661 7.318 1.00 0.00 C ATOM 908 CD GLN A 63 11.615 -11.174 8.744 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.395 -12.362 8.984 1.00 0.00 O ATOM 910 NE2 GLN A 63 11.840 -10.281 9.700 1.00 0.00 N ATOM 0 H GLN A 63 10.099 -11.234 4.058 1.00 0.00 H new ATOM 0 HA GLN A 63 10.019 -12.653 6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.262 -9.709 5.990 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.557 -10.229 7.508 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.231 -11.342 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.146 -9.694 7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.018 -9.307 9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.835 -10.569 10.678 1.00 0.00 H new ATOM 919 N SER A 64 7.677 -12.557 5.031 1.00 0.00 N ATOM 920 CA SER A 64 6.234 -12.607 4.822 1.00 0.00 C ATOM 921 C SER A 64 5.673 -13.966 5.231 1.00 0.00 C ATOM 922 O SER A 64 6.113 -15.004 4.741 1.00 0.00 O ATOM 923 CB SER A 64 5.900 -12.326 3.356 1.00 0.00 C ATOM 924 OG SER A 64 4.500 -12.366 3.135 1.00 0.00 O ATOM 0 H SER A 64 8.212 -13.185 4.431 1.00 0.00 H new ATOM 0 HA SER A 64 5.774 -11.840 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.288 -11.348 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.393 -13.061 2.720 1.00 0.00 H new ATOM 0 HG SER A 64 4.031 -12.154 3.969 1.00 0.00 H new ATOM 930 N ASN A 65 4.699 -13.948 6.135 1.00 0.00 N ATOM 931 CA ASN A 65 4.077 -15.178 6.612 1.00 0.00 C ATOM 932 C ASN A 65 2.599 -15.221 6.238 1.00 0.00 C ATOM 933 O ASN A 65 2.067 -14.272 5.662 1.00 0.00 O ATOM 934 CB ASN A 65 4.235 -15.298 8.130 1.00 0.00 C ATOM 935 CG ASN A 65 3.967 -16.705 8.629 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.367 -17.685 8.001 1.00 0.00 O ATOM 937 ND2 ASN A 65 3.286 -16.810 9.764 1.00 0.00 N ATOM 0 H ASN A 65 4.324 -13.096 6.552 1.00 0.00 H new ATOM 0 HA ASN A 65 4.579 -16.019 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.245 -15.001 8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.551 -14.605 8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.075 -17.731 10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.974 -15.970 10.251 1.00 0.00 H new ATOM 944 N GLU A 66 1.941 -16.327 6.571 1.00 0.00 N ATOM 945 CA GLU A 66 0.524 -16.493 6.270 1.00 0.00 C ATOM 946 C GLU A 66 -0.301 -15.377 6.903 1.00 0.00 C ATOM 947 O GLU A 66 -1.413 -15.084 6.462 1.00 0.00 O ATOM 948 CB GLU A 66 0.030 -17.853 6.768 1.00 0.00 C ATOM 949 CG GLU A 66 -1.263 -18.308 6.112 1.00 0.00 C ATOM 950 CD GLU A 66 -2.098 -19.191 7.019 1.00 0.00 C ATOM 951 OE1 GLU A 66 -2.392 -18.766 8.155 1.00 0.00 O ATOM 952 OE2 GLU A 66 -2.457 -20.308 6.591 1.00 0.00 O ATOM 0 H GLU A 66 2.367 -17.121 7.049 1.00 0.00 H new ATOM 0 HA GLU A 66 0.400 -16.444 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.803 -18.600 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.117 -17.804 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.847 -17.434 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.030 -18.851 5.196 1.00 0.00 H new ATOM 959 N VAL A 67 0.251 -14.756 7.941 1.00 0.00 N ATOM 960 CA VAL A 67 -0.432 -13.672 8.635 1.00 0.00 C ATOM 961 C VAL A 67 0.450 -12.431 8.720 1.00 0.00 C ATOM 962 O VAL A 67 0.289 -11.600 9.614 1.00 0.00 O ATOM 963 CB VAL A 67 -0.848 -14.090 10.058 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.933 -15.156 10.005 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.358 -14.584 10.842 1.00 0.00 C ATOM 0 H VAL A 67 1.170 -14.986 8.319 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.326 -13.440 8.056 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.253 -13.218 10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.215 -15.439 11.019 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.805 -14.762 9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.558 -16.031 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.046 -14.875 11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.795 -15.444 10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.099 -13.788 10.910 1.00 0.00 H new ATOM 975 N THR A 68 1.386 -12.312 7.783 1.00 0.00 N ATOM 976 CA THR A 68 2.295 -11.173 7.751 1.00 0.00 C ATOM 977 C THR A 68 2.755 -10.876 6.328 1.00 0.00 C ATOM 978 O THR A 68 3.380 -11.716 5.679 1.00 0.00 O ATOM 979 CB THR A 68 3.530 -11.416 8.638 1.00 0.00 C ATOM 980 OG1 THR A 68 3.138 -11.498 10.013 1.00 0.00 O ATOM 981 CG2 THR A 68 4.551 -10.301 8.462 1.00 0.00 C ATOM 0 H THR A 68 1.534 -12.991 7.036 1.00 0.00 H new ATOM 0 HA THR A 68 1.742 -10.316 8.137 1.00 0.00 H new ATOM 0 HB THR A 68 3.988 -12.358 8.335 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.166 -11.396 10.083 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.414 -10.495 9.098 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.870 -10.261 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.101 -9.348 8.741 1.00 0.00 H new ATOM 989 N LEU A 69 2.444 -9.678 5.849 1.00 0.00 N ATOM 990 CA LEU A 69 2.827 -9.269 4.501 1.00 0.00 C ATOM 991 C LEU A 69 3.748 -8.054 4.542 1.00 0.00 C ATOM 992 O LEU A 69 3.295 -6.924 4.728 1.00 0.00 O ATOM 993 CB LEU A 69 1.583 -8.953 3.670 1.00 0.00 C ATOM 994 CG LEU A 69 0.971 -10.127 2.904 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.322 -9.705 2.224 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.959 -10.671 1.883 1.00 0.00 C ATOM 0 H LEU A 69 1.928 -8.972 6.373 1.00 0.00 H new ATOM 0 HA LEU A 69 3.366 -10.095 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.822 -8.542 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.838 -8.171 2.954 1.00 0.00 H new ATOM 0 HG LEU A 69 0.741 -10.920 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.743 -10.553 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.034 -9.364 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.117 -8.895 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.506 -11.506 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.220 -9.885 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.859 -11.013 2.394 1.00 0.00 H new ATOM 1008 N THR A 70 5.044 -8.293 4.364 1.00 0.00 N ATOM 1009 CA THR A 70 6.028 -7.219 4.379 1.00 0.00 C ATOM 1010 C THR A 70 6.329 -6.730 2.968 1.00 0.00 C ATOM 1011 O THR A 70 6.599 -7.526 2.067 1.00 0.00 O ATOM 1012 CB THR A 70 7.342 -7.671 5.045 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.098 -8.046 6.405 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.382 -6.561 4.998 1.00 0.00 C ATOM 0 H THR A 70 5.436 -9.222 4.208 1.00 0.00 H new ATOM 0 HA THR A 70 5.597 -6.403 4.959 1.00 0.00 H new ATOM 0 HB THR A 70 7.726 -8.530 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.225 -9.012 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.301 -6.903 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.587 -6.298 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.004 -5.686 5.526 1.00 0.00 H new ATOM 1022 N LEU A 71 6.283 -5.415 2.780 1.00 0.00 N ATOM 1023 CA LEU A 71 6.552 -4.819 1.476 1.00 0.00 C ATOM 1024 C LEU A 71 7.313 -3.505 1.625 1.00 0.00 C ATOM 1025 O LEU A 71 7.444 -2.972 2.727 1.00 0.00 O ATOM 1026 CB LEU A 71 5.242 -4.580 0.722 1.00 0.00 C ATOM 1027 CG LEU A 71 4.369 -3.437 1.240 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.415 -2.961 0.155 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.597 -3.873 2.477 1.00 0.00 C ATOM 0 H LEU A 71 6.062 -4.742 3.514 1.00 0.00 H new ATOM 0 HA LEU A 71 7.170 -5.514 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.478 -4.385 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.657 -5.499 0.750 1.00 0.00 H new ATOM 0 HG LEU A 71 5.018 -2.606 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.801 -2.147 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.987 -2.608 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.772 -3.786 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.981 -3.047 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.958 -4.720 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.298 -4.165 3.259 1.00 0.00 H new ATOM 1041 N THR A 72 7.812 -2.986 0.507 1.00 0.00 N ATOM 1042 CA THR A 72 8.558 -1.735 0.512 1.00 0.00 C ATOM 1043 C THR A 72 7.714 -0.589 -0.034 1.00 0.00 C ATOM 1044 O THR A 72 7.527 -0.464 -1.244 1.00 0.00 O ATOM 1045 CB THR A 72 9.850 -1.847 -0.319 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.658 -2.922 0.174 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.640 -0.549 -0.271 1.00 0.00 C ATOM 0 H THR A 72 7.712 -3.414 -0.414 1.00 0.00 H new ATOM 0 HA THR A 72 8.819 -1.528 1.550 1.00 0.00 H new ATOM 0 HB THR A 72 9.573 -2.046 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.477 -2.988 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.548 -0.653 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.033 0.261 -0.675 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.906 -0.323 0.762 1.00 0.00 H new ATOM 1055 N VAL A 73 7.207 0.248 0.866 1.00 0.00 N ATOM 1056 CA VAL A 73 6.384 1.386 0.474 1.00 0.00 C ATOM 1057 C VAL A 73 6.975 2.100 -0.736 1.00 0.00 C ATOM 1058 O VAL A 73 8.117 2.561 -0.719 1.00 0.00 O ATOM 1059 CB VAL A 73 6.234 2.394 1.629 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.184 3.441 1.290 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.881 1.673 2.922 1.00 0.00 C ATOM 0 H VAL A 73 7.352 0.159 1.872 1.00 0.00 H new ATOM 0 HA VAL A 73 5.401 0.992 0.215 1.00 0.00 H new ATOM 0 HB VAL A 73 7.188 2.902 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.091 4.145 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.482 3.977 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.225 2.952 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.779 2.400 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.940 1.138 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.671 0.964 3.171 1.00 0.00 H new ATOM 1071 N PRO A 74 6.181 2.197 -1.812 1.00 0.00 N ATOM 1072 CA PRO A 74 6.604 2.856 -3.051 1.00 0.00 C ATOM 1073 C PRO A 74 6.733 4.366 -2.890 1.00 0.00 C ATOM 1074 O PRO A 74 6.490 4.907 -1.812 1.00 0.00 O ATOM 1075 CB PRO A 74 5.480 2.517 -4.034 1.00 0.00 C ATOM 1076 CG PRO A 74 4.287 2.275 -3.176 1.00 0.00 C ATOM 1077 CD PRO A 74 4.808 1.671 -1.902 1.00 0.00 C ATOM 0 HA PRO A 74 7.589 2.520 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.305 3.335 -4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.726 1.637 -4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.754 3.205 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.583 1.603 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.207 1.967 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.797 0.582 -1.940 1.00 0.00 H new ATOM 1085 N GLU A 75 7.117 5.042 -3.969 1.00 0.00 N ATOM 1086 CA GLU A 75 7.278 6.491 -3.945 1.00 0.00 C ATOM 1087 C GLU A 75 6.161 7.176 -4.727 1.00 0.00 C ATOM 1088 O GLU A 75 6.022 6.978 -5.934 1.00 0.00 O ATOM 1089 CB GLU A 75 8.638 6.884 -4.526 1.00 0.00 C ATOM 1090 CG GLU A 75 8.627 7.063 -6.035 1.00 0.00 C ATOM 1091 CD GLU A 75 10.017 7.016 -6.639 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.719 8.047 -6.589 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.402 5.949 -7.160 1.00 0.00 O ATOM 0 H GLU A 75 7.322 4.609 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 75 7.225 6.820 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.967 7.813 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.370 6.120 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.013 6.283 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.161 8.017 -6.280 1.00 0.00 H new ATOM 1100 N TYR A 76 5.368 7.981 -4.030 1.00 0.00 N ATOM 1101 CA TYR A 76 4.261 8.693 -4.657 1.00 0.00 C ATOM 1102 C TYR A 76 4.704 9.350 -5.961 1.00 0.00 C ATOM 1103 O TYR A 76 5.893 9.585 -6.178 1.00 0.00 O ATOM 1104 CB TYR A 76 3.702 9.752 -3.704 1.00 0.00 C ATOM 1105 CG TYR A 76 2.516 10.504 -4.263 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.426 9.825 -4.794 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.484 11.893 -4.261 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.339 10.508 -5.306 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.402 12.584 -4.769 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.332 11.887 -5.291 1.00 0.00 C ATOM 1111 OH TYR A 76 -0.748 12.572 -5.800 1.00 0.00 O ATOM 0 H TYR A 76 5.471 8.157 -3.031 1.00 0.00 H new ATOM 0 HA TYR A 76 3.479 7.968 -4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.409 9.271 -2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.491 10.464 -3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.428 8.745 -4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.321 12.442 -3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.500 9.965 -5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.393 13.664 -4.758 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.595 13.536 -5.713 1.00 0.00 H new ATOM 1121 N SER A 77 3.739 9.644 -6.826 1.00 0.00 N ATOM 1122 CA SER A 77 4.028 10.270 -8.111 1.00 0.00 C ATOM 1123 C SER A 77 4.378 11.744 -7.929 1.00 0.00 C ATOM 1124 O SER A 77 5.511 12.159 -8.170 1.00 0.00 O ATOM 1125 CB SER A 77 2.830 10.131 -9.052 1.00 0.00 C ATOM 1126 OG SER A 77 2.914 8.937 -9.810 1.00 0.00 O ATOM 0 H SER A 77 2.750 9.459 -6.660 1.00 0.00 H new ATOM 0 HA SER A 77 4.886 9.761 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.906 10.134 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.789 10.989 -9.723 1.00 0.00 H new ATOM 0 HG SER A 77 2.136 8.870 -10.402 1.00 0.00 H new ATOM 1132 N ASN A 78 3.395 12.531 -7.503 1.00 0.00 N ATOM 1133 CA ASN A 78 3.597 13.960 -7.290 1.00 0.00 C ATOM 1134 C ASN A 78 4.266 14.219 -5.944 1.00 0.00 C ATOM 1135 O ASN A 78 3.597 14.338 -4.918 1.00 0.00 O ATOM 1136 CB ASN A 78 2.261 14.701 -7.359 1.00 0.00 C ATOM 1137 CG ASN A 78 1.932 15.171 -8.763 1.00 0.00 C ATOM 1138 OD1 ASN A 78 1.854 14.371 -9.695 1.00 0.00 O ATOM 1139 ND2 ASN A 78 1.739 16.475 -8.921 1.00 0.00 N ATOM 0 H ASN A 78 2.451 12.203 -7.299 1.00 0.00 H new ATOM 0 HA ASN A 78 4.251 14.331 -8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.466 14.046 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.290 15.560 -6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.516 16.850 -9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.814 17.102 -8.120 1.00 0.00 H new ATOM 1146 N LYS A 79 5.592 14.306 -5.955 1.00 0.00 N ATOM 1147 CA LYS A 79 6.354 14.553 -4.737 1.00 0.00 C ATOM 1148 C LYS A 79 6.587 16.047 -4.534 1.00 0.00 C ATOM 1149 O LYS A 79 6.494 16.554 -3.416 1.00 0.00 O ATOM 1150 CB LYS A 79 7.696 13.820 -4.792 1.00 0.00 C ATOM 1151 CG LYS A 79 7.583 12.326 -4.544 1.00 0.00 C ATOM 1152 CD LYS A 79 8.861 11.762 -3.945 1.00 0.00 C ATOM 1153 CE LYS A 79 9.949 11.609 -4.997 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.760 12.849 -5.141 1.00 0.00 N ATOM 0 H LYS A 79 6.162 14.209 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 79 5.775 14.175 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.151 13.984 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.368 14.253 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.748 12.130 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.364 11.816 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.212 12.419 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.654 10.793 -3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.601 10.778 -4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.495 11.359 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.689 12.611 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.269 13.514 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.889 13.289 -4.208 1.00 0.00 H new ATOM 1168 N ARG A 80 6.887 16.747 -5.623 1.00 0.00 N ATOM 1169 CA ARG A 80 7.133 18.183 -5.564 1.00 0.00 C ATOM 1170 C ARG A 80 6.225 18.848 -4.534 1.00 0.00 C ATOM 1171 O ARG A 80 6.642 19.763 -3.822 1.00 0.00 O ATOM 1172 CB ARG A 80 6.911 18.817 -6.939 1.00 0.00 C ATOM 1173 CG ARG A 80 5.538 18.535 -7.525 1.00 0.00 C ATOM 1174 CD ARG A 80 5.458 18.953 -8.985 1.00 0.00 C ATOM 1175 NE ARG A 80 5.861 17.876 -9.886 1.00 0.00 N ATOM 1176 CZ ARG A 80 6.147 18.060 -11.170 1.00 0.00 C ATOM 1177 NH1 ARG A 80 6.075 19.273 -11.701 1.00 0.00 N ATOM 1178 NH2 ARG A 80 6.506 17.030 -11.925 1.00 0.00 N ATOM 0 H ARG A 80 6.966 16.343 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 80 8.169 18.337 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.048 19.895 -6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.673 18.449 -7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.315 17.472 -7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.780 19.068 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.438 19.259 -9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.097 19.821 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 80 5.926 16.931 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.800 20.067 -11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.295 19.412 -12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.563 16.096 -11.520 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.725 17.172 -12.911 1.00 0.00 H new ATOM 1192 N VAL A 81 4.982 18.383 -4.459 1.00 0.00 N ATOM 1193 CA VAL A 81 4.016 18.932 -3.516 1.00 0.00 C ATOM 1194 C VAL A 81 4.664 19.211 -2.165 1.00 0.00 C ATOM 1195 O VAL A 81 5.576 18.499 -1.744 1.00 0.00 O ATOM 1196 CB VAL A 81 2.824 17.977 -3.314 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.092 17.751 -4.628 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.294 16.657 -2.723 1.00 0.00 C ATOM 0 H VAL A 81 4.621 17.627 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 81 3.654 19.868 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 81 2.128 18.436 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.253 17.074 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.721 18.704 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.776 17.313 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.439 15.994 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.011 16.190 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.769 16.839 -1.759 1.00 0.00 H new ATOM 1208 N SER A 82 4.186 20.250 -1.489 1.00 0.00 N ATOM 1209 CA SER A 82 4.722 20.626 -0.185 1.00 0.00 C ATOM 1210 C SER A 82 3.801 20.154 0.936 1.00 0.00 C ATOM 1211 O SER A 82 4.179 20.160 2.108 1.00 0.00 O ATOM 1212 CB SER A 82 4.907 22.143 -0.104 1.00 0.00 C ATOM 1213 OG SER A 82 5.940 22.577 -0.971 1.00 0.00 O ATOM 0 H SER A 82 3.429 20.847 -1.822 1.00 0.00 H new ATOM 0 HA SER A 82 5.691 20.142 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.974 22.641 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.143 22.430 0.921 1.00 0.00 H new ATOM 0 HG SER A 82 6.038 23.550 -0.902 1.00 0.00 H new ATOM 1219 N ARG A 83 2.591 19.746 0.568 1.00 0.00 N ATOM 1220 CA ARG A 83 1.615 19.272 1.542 1.00 0.00 C ATOM 1221 C ARG A 83 1.406 17.767 1.413 1.00 0.00 C ATOM 1222 O ARG A 83 1.578 17.180 0.345 1.00 0.00 O ATOM 1223 CB ARG A 83 0.283 20.001 1.358 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.448 19.620 0.081 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.889 20.104 0.099 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.983 21.551 -0.079 1.00 0.00 N ATOM 1227 CZ ARG A 83 -1.958 22.418 0.927 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -1.844 21.986 2.176 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -2.048 23.720 0.686 1.00 0.00 N ATOM 0 H ARG A 83 2.263 19.734 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 83 2.002 19.484 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.360 19.787 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.464 21.076 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.070 20.048 -0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.428 18.537 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.449 19.604 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.354 19.824 1.044 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.073 21.915 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.775 20.986 2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.825 22.654 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.137 24.056 -0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.029 24.384 1.460 1.00 0.00 H new ATOM 1243 N PRO A 84 1.025 17.124 2.527 1.00 0.00 N ATOM 1244 CA PRO A 84 0.783 15.679 2.565 1.00 0.00 C ATOM 1245 C PRO A 84 -0.468 15.280 1.789 1.00 0.00 C ATOM 1246 O PRO A 84 -1.420 16.054 1.686 1.00 0.00 O ATOM 1247 CB PRO A 84 0.603 15.387 4.056 1.00 0.00 C ATOM 1248 CG PRO A 84 0.136 16.676 4.640 1.00 0.00 C ATOM 1249 CD PRO A 84 0.800 17.760 3.837 1.00 0.00 C ATOM 0 HA PRO A 84 1.595 15.118 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.125 14.592 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.538 15.062 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.949 16.759 4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.408 16.748 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.166 18.643 3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.736 18.082 4.293 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.460 14.067 1.245 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.595 13.565 0.481 1.00 0.00 C ATOM 1259 C VAL A 85 -2.162 12.296 1.107 1.00 0.00 C ATOM 1260 O VAL A 85 -1.441 11.537 1.754 1.00 0.00 O ATOM 1261 CB VAL A 85 -1.203 13.272 -0.980 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.410 12.795 -1.772 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.587 14.506 -1.623 1.00 0.00 C ATOM 0 H VAL A 85 0.320 13.414 1.320 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.356 14.345 0.496 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.458 12.476 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.113 12.593 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.803 11.883 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.180 13.566 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.316 14.282 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.308 15.323 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.305 14.798 -1.069 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.457 12.072 0.910 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.120 10.894 1.456 1.00 0.00 C ATOM 1275 C GLN A 86 -4.342 9.843 0.373 1.00 0.00 C ATOM 1276 O GLN A 86 -5.131 10.045 -0.550 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.458 11.283 2.088 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.356 10.094 2.389 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.926 9.337 3.630 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.373 9.918 4.565 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.179 8.034 3.647 1.00 0.00 N ATOM 0 H GLN A 86 -4.068 12.691 0.376 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.474 10.467 2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.269 11.828 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.983 11.964 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.381 10.441 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.353 9.416 1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.639 7.593 2.850 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.913 7.473 4.457 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.640 8.720 0.492 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.761 7.637 -0.476 1.00 0.00 C ATOM 1292 C VAL A 87 -4.345 6.385 0.170 1.00 0.00 C ATOM 1293 O VAL A 87 -4.630 6.367 1.368 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.397 7.289 -1.102 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.763 8.526 -1.720 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.476 6.671 -0.062 1.00 0.00 C ATOM 0 H VAL A 87 -2.982 8.537 1.249 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.434 7.986 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.556 6.557 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.800 8.261 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.418 8.921 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.616 9.283 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.517 6.431 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.321 7.378 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.929 5.760 0.329 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.520 5.340 -0.631 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.072 4.084 -0.138 1.00 0.00 C ATOM 1308 C TYR A 88 -4.397 2.892 -0.809 1.00 0.00 C ATOM 1309 O TYR A 88 -3.837 3.013 -1.899 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.581 4.034 -0.383 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.316 5.257 0.118 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.170 6.487 -0.511 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.158 5.181 1.221 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -7.839 7.606 -0.056 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.832 6.295 1.682 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.669 7.505 1.041 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.339 8.618 1.497 1.00 0.00 O ATOM 0 H TYR A 88 -4.288 5.338 -1.624 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.883 4.030 0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.764 3.923 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.991 3.149 0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.522 6.569 -1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.287 4.235 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.713 8.555 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.483 6.219 2.540 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.882 8.376 2.276 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.455 1.739 -0.151 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.850 0.523 -0.682 1.00 0.00 C ATOM 1329 C PHE A 89 -4.650 -0.708 -0.268 1.00 0.00 C ATOM 1330 O PHE A 89 -5.422 -0.667 0.691 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.405 0.394 -0.197 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.275 0.362 1.299 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.224 1.540 2.028 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.205 -0.844 1.977 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.105 1.514 3.405 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -2.086 -0.876 3.353 1.00 0.00 C ATOM 1337 CZ PHE A 89 -2.035 0.305 4.068 1.00 0.00 C ATOM 0 H PHE A 89 -4.915 1.621 0.752 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.856 0.589 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.971 -0.516 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.824 1.230 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.278 2.489 1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.244 -1.770 1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.067 2.439 3.962 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.033 -1.823 3.869 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.941 0.283 5.144 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.460 -1.802 -0.997 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.165 -3.045 -0.709 1.00 0.00 C ATOM 1349 C TYR A 90 -4.373 -4.250 -1.209 1.00 0.00 C ATOM 1350 O TYR A 90 -3.452 -4.111 -2.014 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.553 -3.030 -1.352 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.529 -2.739 -2.836 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.012 -3.662 -3.737 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -7.022 -1.540 -3.336 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -5.988 -3.400 -5.093 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -7.003 -1.270 -4.691 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.485 -2.203 -5.565 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.463 -1.937 -6.915 1.00 0.00 O ATOM 0 H TYR A 90 -3.823 -1.853 -1.792 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.274 -3.128 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.031 -3.996 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.167 -2.281 -0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.622 -4.600 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.427 -0.807 -2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.582 -4.128 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.392 -0.334 -5.064 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.851 -1.052 -7.080 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.740 -5.433 -0.726 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.067 -6.663 -1.124 1.00 0.00 C ATOM 1370 C VAL A 91 -4.858 -7.399 -2.199 1.00 0.00 C ATOM 1371 O VAL A 91 -5.960 -7.887 -1.949 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.858 -7.603 0.078 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.782 -8.633 -0.230 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.501 -6.803 1.323 1.00 0.00 C ATOM 0 H VAL A 91 -5.500 -5.565 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.095 -6.376 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.791 -8.134 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.648 -9.288 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.082 -9.226 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.843 -8.124 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.357 -7.482 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.582 -6.245 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.309 -6.108 1.553 1.00 0.00 H new ATOM 1384 N SER A 92 -4.288 -7.476 -3.397 1.00 0.00 N ATOM 1385 CA SER A 92 -4.942 -8.151 -4.513 1.00 0.00 C ATOM 1386 C SER A 92 -4.639 -9.646 -4.496 1.00 0.00 C ATOM 1387 O SER A 92 -3.498 -10.061 -4.695 1.00 0.00 O ATOM 1388 CB SER A 92 -4.488 -7.542 -5.841 1.00 0.00 C ATOM 1389 OG SER A 92 -5.300 -6.437 -6.199 1.00 0.00 O ATOM 0 H SER A 92 -3.375 -7.080 -3.620 1.00 0.00 H new ATOM 0 HA SER A 92 -6.018 -8.015 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.449 -7.223 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.531 -8.298 -6.625 1.00 0.00 H new ATOM 0 HG SER A 92 -4.989 -6.064 -7.050 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.670 -10.450 -4.258 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.516 -11.899 -4.214 1.00 0.00 C ATOM 1397 C ASN A 93 -6.473 -12.578 -5.189 1.00 0.00 C ATOM 1398 O ASN A 93 -7.662 -12.724 -4.908 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.763 -12.417 -2.796 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.542 -12.274 -1.908 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.532 -11.697 -2.310 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.630 -12.802 -0.692 1.00 0.00 N ATOM 0 H ASN A 93 -6.622 -10.122 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.494 -12.139 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.597 -11.872 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.055 -13.466 -2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.840 -12.738 -0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.487 -13.272 -0.401 1.00 0.00 H new ATOM 1409 N GLY A 94 -5.945 -12.991 -6.338 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.766 -13.650 -7.337 1.00 0.00 C ATOM 1411 C GLY A 94 -7.222 -12.703 -8.428 1.00 0.00 C ATOM 1412 O GLY A 94 -6.406 -12.021 -9.048 1.00 0.00 O ATOM 0 H GLY A 94 -4.964 -12.881 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.202 -14.469 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.638 -14.090 -6.854 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.529 -12.661 -8.666 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.092 -11.793 -9.692 1.00 0.00 C ATOM 1418 C ARG A 95 -10.201 -10.918 -9.116 1.00 0.00 C ATOM 1419 O ARG A 95 -10.217 -9.703 -9.319 1.00 0.00 O ATOM 1420 CB ARG A 95 -9.637 -12.627 -10.853 1.00 0.00 C ATOM 1421 CG ARG A 95 -10.731 -13.599 -10.444 1.00 0.00 C ATOM 1422 CD ARG A 95 -11.062 -14.571 -11.566 1.00 0.00 C ATOM 1423 NE ARG A 95 -12.090 -14.045 -12.460 1.00 0.00 N ATOM 1424 CZ ARG A 95 -11.836 -13.214 -13.464 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -10.593 -12.816 -13.701 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -12.825 -12.779 -14.234 1.00 0.00 N ATOM 0 H ARG A 95 -9.218 -13.219 -8.161 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.296 -11.145 -10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.026 -11.957 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.817 -13.185 -11.304 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.414 -14.155 -9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.627 -13.044 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.159 -14.785 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.401 -15.515 -11.140 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.056 -14.332 -12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.830 -13.148 -13.111 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.400 -12.178 -14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.782 -13.083 -14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.628 -12.141 -15.005 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.128 -11.543 -8.397 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.241 -10.821 -7.792 1.00 0.00 C ATOM 1442 C ARG A 96 -12.042 -10.676 -6.286 1.00 0.00 C ATOM 1443 O ARG A 96 -12.420 -9.666 -5.693 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.559 -11.545 -8.076 1.00 0.00 C ATOM 1445 CG ARG A 96 -13.982 -11.492 -9.535 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.480 -11.700 -9.689 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.250 -10.749 -8.892 1.00 0.00 N ATOM 1448 CZ ARG A 96 -16.488 -9.498 -9.269 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -16.019 -9.050 -10.425 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -17.197 -8.692 -8.489 1.00 0.00 N ATOM 0 H ARG A 96 -11.130 -12.547 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.278 -9.825 -8.233 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.464 -12.587 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.345 -11.105 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.702 -10.529 -9.961 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.448 -12.257 -10.098 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.754 -11.598 -10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.737 -12.716 -9.390 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.625 -11.063 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.474 -9.667 -11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.203 -8.089 -10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.560 -9.033 -7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.379 -7.731 -8.780 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.447 -11.693 -5.673 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.196 -11.680 -4.237 1.00 0.00 C ATOM 1466 C LYS A 97 -10.178 -10.605 -3.872 1.00 0.00 C ATOM 1467 O LYS A 97 -8.976 -10.779 -4.075 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.694 -13.050 -3.773 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.545 -14.208 -4.266 1.00 0.00 C ATOM 1470 CD LYS A 97 -12.737 -14.451 -3.356 1.00 0.00 C ATOM 1471 CE LYS A 97 -12.335 -15.215 -2.103 1.00 0.00 C ATOM 1472 NZ LYS A 97 -13.519 -15.754 -1.379 1.00 0.00 N ATOM 0 H LYS A 97 -11.129 -12.538 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.135 -11.453 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.670 -13.189 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.667 -13.068 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.895 -13.999 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.937 -15.111 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.182 -13.497 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.500 -15.011 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.671 -16.036 -2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.773 -14.557 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.211 -16.194 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.181 -14.979 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.993 -16.466 -1.971 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.666 -9.493 -3.331 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.799 -8.389 -2.938 1.00 0.00 C ATOM 1488 C ARG A 98 -10.125 -7.919 -1.524 1.00 0.00 C ATOM 1489 O ARG A 98 -11.161 -8.278 -0.963 1.00 0.00 O ATOM 1490 CB ARG A 98 -9.942 -7.225 -3.920 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.242 -7.460 -5.249 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.830 -6.590 -6.349 1.00 0.00 C ATOM 1493 NE ARG A 98 -9.170 -6.812 -7.633 1.00 0.00 N ATOM 1494 CZ ARG A 98 -9.715 -6.498 -8.803 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.922 -5.949 -8.851 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -9.053 -6.731 -9.929 1.00 0.00 N ATOM 0 H ARG A 98 -11.658 -9.333 -3.155 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.769 -8.745 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.001 -7.044 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.539 -6.322 -3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.178 -7.247 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.330 -8.510 -5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.895 -6.800 -6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.737 -5.540 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.240 -7.231 -7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.434 -5.767 -7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.338 -5.709 -9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.124 -7.152 -9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.473 -6.489 -10.827 1.00 0.00 H new ATOM 1510 N SER A 99 -9.235 -7.114 -0.953 1.00 0.00 N ATOM 1511 CA SER A 99 -9.426 -6.597 0.397 1.00 0.00 C ATOM 1512 C SER A 99 -9.835 -5.128 0.364 1.00 0.00 C ATOM 1513 O SER A 99 -9.557 -4.401 -0.590 1.00 0.00 O ATOM 1514 CB SER A 99 -8.143 -6.763 1.215 1.00 0.00 C ATOM 1515 OG SER A 99 -7.013 -6.314 0.489 1.00 0.00 O ATOM 0 H SER A 99 -8.374 -6.805 -1.405 1.00 0.00 H new ATOM 0 HA SER A 99 -10.226 -7.168 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.227 -6.203 2.146 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.013 -7.811 1.484 1.00 0.00 H new ATOM 0 HG SER A 99 -6.798 -6.961 -0.215 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.511 -4.679 1.431 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.974 -3.293 1.550 1.00 0.00 C ATOM 1523 C PRO A 100 -9.822 -2.313 1.745 1.00 0.00 C ATOM 1524 O PRO A 100 -9.045 -2.432 2.693 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.867 -3.322 2.792 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.360 -4.468 3.597 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.877 -5.490 2.605 1.00 0.00 C ATOM 0 HA PRO A 100 -11.486 -2.955 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.801 -2.387 3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.914 -3.460 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.552 -4.154 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.147 -4.879 4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.024 -6.050 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.654 -6.216 2.366 1.00 0.00 H new ATOM 1535 N THR A 101 -9.717 -1.342 0.842 1.00 0.00 N ATOM 1536 CA THR A 101 -8.660 -0.342 0.915 1.00 0.00 C ATOM 1537 C THR A 101 -8.490 0.176 2.339 1.00 0.00 C ATOM 1538 O THR A 101 -9.372 0.005 3.180 1.00 0.00 O ATOM 1539 CB THR A 101 -8.947 0.848 -0.021 1.00 0.00 C ATOM 1540 OG1 THR A 101 -9.951 1.692 0.553 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.406 0.362 -1.388 1.00 0.00 C ATOM 0 H THR A 101 -10.352 -1.228 0.052 1.00 0.00 H new ATOM 0 HA THR A 101 -7.739 -0.832 0.597 1.00 0.00 H new ATOM 0 HB THR A 101 -8.025 1.415 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.126 2.447 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.603 1.219 -2.032 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.627 -0.256 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.317 -0.226 -1.278 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.352 0.811 2.601 1.00 0.00 N ATOM 1550 CA GLN A 102 -7.068 1.354 3.924 1.00 0.00 C ATOM 1551 C GLN A 102 -6.772 2.848 3.847 1.00 0.00 C ATOM 1552 O GLN A 102 -6.537 3.390 2.767 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.885 0.619 4.556 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.168 -0.844 4.857 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.392 -1.034 5.731 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.329 -0.872 6.950 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.514 -1.379 5.111 1.00 0.00 N ATOM 0 H GLN A 102 -6.612 0.962 1.915 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.951 1.209 4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.028 0.684 3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.606 1.124 5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.308 -1.383 3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.302 -1.283 5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.520 -1.502 4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.370 -1.521 5.647 1.00 0.00 H new ATOM 1566 N SER A 103 -6.784 3.509 5.000 1.00 0.00 N ATOM 1567 CA SER A 103 -6.521 4.942 5.063 1.00 0.00 C ATOM 1568 C SER A 103 -5.044 5.211 5.331 1.00 0.00 C ATOM 1569 O SER A 103 -4.504 4.808 6.361 1.00 0.00 O ATOM 1570 CB SER A 103 -7.376 5.592 6.153 1.00 0.00 C ATOM 1571 OG SER A 103 -6.809 5.386 7.435 1.00 0.00 O ATOM 0 H SER A 103 -6.973 3.075 5.903 1.00 0.00 H new ATOM 0 HA SER A 103 -6.783 5.377 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.467 6.661 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.383 5.176 6.126 1.00 0.00 H new ATOM 0 HG SER A 103 -6.007 4.828 7.352 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.395 5.897 4.395 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.979 6.221 4.528 1.00 0.00 C ATOM 1579 C PHE A 104 -2.722 7.687 4.191 1.00 0.00 C ATOM 1580 O PHE A 104 -3.576 8.360 3.613 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.141 5.322 3.617 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.713 5.183 4.062 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.347 4.195 4.962 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.263 6.039 3.579 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.966 4.065 5.373 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.578 5.914 3.986 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.930 4.925 4.884 1.00 0.00 C ATOM 0 H PHE A 104 -4.827 6.239 3.537 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.688 6.049 5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.598 4.333 3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.160 5.725 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.096 3.519 5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.007 6.813 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.238 3.292 6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.329 6.589 3.603 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.957 4.824 5.203 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.541 8.174 4.556 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.172 9.560 4.294 1.00 0.00 C ATOM 1599 C ARG A 105 0.340 9.700 4.145 1.00 0.00 C ATOM 1600 O ARG A 105 1.106 9.153 4.938 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.670 10.464 5.422 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.532 11.948 5.120 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.815 12.796 6.350 1.00 0.00 C ATOM 1604 NE ARG A 105 -3.243 12.878 6.641 1.00 0.00 N ATOM 1605 CZ ARG A 105 -3.788 13.833 7.387 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.026 14.782 7.914 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.096 13.840 7.607 1.00 0.00 N ATOM 0 H ARG A 105 -0.823 7.630 5.034 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.642 9.865 3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.718 10.238 5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.116 10.234 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.525 12.155 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.220 12.223 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.294 12.374 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.418 13.800 6.198 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.856 12.163 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.020 14.780 7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.446 15.514 8.486 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.685 13.112 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.513 14.574 8.180 1.00 0.00 H new ATOM 1621 N PHE A 106 0.763 10.438 3.124 1.00 0.00 N ATOM 1622 CA PHE A 106 2.183 10.650 2.870 1.00 0.00 C ATOM 1623 C PHE A 106 2.616 12.041 3.325 1.00 0.00 C ATOM 1624 O PHE A 106 1.893 13.020 3.137 1.00 0.00 O ATOM 1625 CB PHE A 106 2.489 10.469 1.382 1.00 0.00 C ATOM 1626 CG PHE A 106 2.249 9.072 0.885 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.638 7.978 1.641 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.635 8.854 -0.337 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.418 6.691 1.187 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.412 7.569 -0.796 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.805 6.486 -0.034 1.00 0.00 C ATOM 0 H PHE A 106 0.142 10.899 2.459 1.00 0.00 H new ATOM 0 HA PHE A 106 2.743 9.910 3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.875 11.161 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.529 10.738 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.119 8.132 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.327 9.697 -0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.725 5.847 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.931 7.412 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.634 5.482 -0.392 1.00 0.00 H new ATOM 1641 N LEU A 107 3.798 12.119 3.924 1.00 0.00 N ATOM 1642 CA LEU A 107 4.328 13.390 4.407 1.00 0.00 C ATOM 1643 C LEU A 107 5.456 13.886 3.508 1.00 0.00 C ATOM 1644 O LEU A 107 6.285 13.114 3.026 1.00 0.00 O ATOM 1645 CB LEU A 107 4.834 13.241 5.843 1.00 0.00 C ATOM 1646 CG LEU A 107 3.963 12.400 6.778 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.743 12.005 8.023 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.700 13.159 7.156 1.00 0.00 C ATOM 0 H LEU A 107 4.408 11.318 4.087 1.00 0.00 H new ATOM 0 HA LEU A 107 3.522 14.123 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.830 12.799 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.940 14.236 6.275 1.00 0.00 H new ATOM 0 HG LEU A 107 3.673 11.490 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.107 11.407 8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.617 11.422 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.064 12.903 8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.092 12.546 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.970 14.086 7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.131 13.390 6.255 1.00 0.00 H new ATOM 1660 N PRO A 108 5.491 15.207 3.278 1.00 0.00 N ATOM 1661 CA PRO A 108 6.514 15.837 2.437 1.00 0.00 C ATOM 1662 C PRO A 108 7.893 15.815 3.088 1.00 0.00 C ATOM 1663 O PRO A 108 8.045 16.175 4.255 1.00 0.00 O ATOM 1664 CB PRO A 108 6.015 17.277 2.291 1.00 0.00 C ATOM 1665 CG PRO A 108 5.173 17.511 3.497 1.00 0.00 C ATOM 1666 CD PRO A 108 4.535 16.187 3.820 1.00 0.00 C ATOM 0 HA PRO A 108 6.639 15.316 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.846 17.981 2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.438 17.405 1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.777 17.867 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.417 18.272 3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.394 16.060 4.893 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.553 16.090 3.356 1.00 0.00 H new ATOM 1674 N VAL A 109 8.895 15.390 2.325 1.00 0.00 N ATOM 1675 CA VAL A 109 10.262 15.322 2.827 1.00 0.00 C ATOM 1676 C VAL A 109 10.849 16.717 3.013 1.00 0.00 C ATOM 1677 O VAL A 109 11.723 16.927 3.855 1.00 0.00 O ATOM 1678 CB VAL A 109 11.170 14.517 1.878 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.606 14.524 2.379 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.654 13.094 1.729 1.00 0.00 C ATOM 0 H VAL A 109 8.786 15.088 1.357 1.00 0.00 H new ATOM 0 HA VAL A 109 10.220 14.817 3.792 1.00 0.00 H new ATOM 0 HB VAL A 109 11.152 14.990 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.232 13.950 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.969 15.551 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.647 14.076 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.307 12.539 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.641 12.608 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.644 13.114 1.320 1.00 0.00 H new