USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 716 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 54 LYS NZ :NH3+ -156:sc= -0.176 (180deg=-0.853) USER MOD Set 1.2: A 97 TYR OH : rot 110:sc= -1.68! USER MOD Single : A 19 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -0.431 (180deg=-1.26) USER MOD Single : A 23 THR OG1 : rot 65:sc= 0.00152 USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= -0.0508 (180deg=-0.407) USER MOD Single : A 30 THR OG1 : rot -90:sc= -0.485 USER MOD Single : A 31 THR OG1 : rot -75:sc= 0.681 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.26) USER MOD Single : A 46 TYR OH : rot 30:sc= 0 USER MOD Single : A 47 CYS SG : rot 69:sc= 0.194 USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.118 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 15:sc= -0.774 USER MOD Single : A 66 MET CE :methyl -134:sc= -2.62! (180deg=-4.48!) USER MOD Single : A 67 LYS NZ :NH3+ -132:sc= -0.172 (180deg=-1.5!) USER MOD Single : A 70 MET CE :methyl 166:sc= -0.675 (180deg=-1.84) USER MOD Single : A 71 GLN : amide:sc= -0.0218 K(o=-0.022,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -0.922 K(o=-0.92,f=-3.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.526 K(o=0.53,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.746 K(o=-0.75,f=-0.079) USER MOD Single : A 90 GLN : amide:sc= -4.06 K(o=-4.1,f=-8.6!) USER MOD Single : A 94 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 2.969 10.568 -6.798 1.00 0.00 N ATOM 127 CA PHE A 18 2.241 9.347 -7.121 1.00 0.00 C ATOM 128 C PHE A 18 3.116 8.388 -7.923 1.00 0.00 C ATOM 129 O PHE A 18 3.015 7.170 -7.777 1.00 0.00 O ATOM 130 CB PHE A 18 0.972 9.679 -7.911 1.00 0.00 C ATOM 131 CG PHE A 18 0.131 8.475 -8.226 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.715 7.935 -7.271 1.00 0.00 C ATOM 133 CD2 PHE A 18 0.186 7.883 -9.478 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.490 6.828 -7.557 1.00 0.00 C ATOM 135 CE2 PHE A 18 -0.589 6.777 -9.771 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.427 6.247 -8.809 1.00 0.00 C ATOM 0 HA PHE A 18 1.963 8.861 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.375 10.391 -7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.252 10.171 -8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.769 8.385 -6.291 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.842 8.291 -10.233 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.145 6.417 -6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.540 6.327 -10.752 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.031 5.381 -9.035 1.00 0.00 H new ATOM 146 N SER A 19 3.974 8.947 -8.769 1.00 0.00 N ATOM 147 CA SER A 19 4.865 8.142 -9.597 1.00 0.00 C ATOM 148 C SER A 19 5.749 7.247 -8.734 1.00 0.00 C ATOM 149 O SER A 19 6.064 6.118 -9.110 1.00 0.00 O ATOM 150 CB SER A 19 5.735 9.044 -10.473 1.00 0.00 C ATOM 151 OG SER A 19 6.885 9.484 -9.771 1.00 0.00 O ATOM 0 H SER A 19 4.072 9.954 -8.900 1.00 0.00 H new ATOM 0 HA SER A 19 4.251 7.508 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.038 8.503 -11.369 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.154 9.906 -10.802 1.00 0.00 H new ATOM 0 HG SER A 19 7.425 10.058 -10.354 1.00 0.00 H new ATOM 157 N ASP A 20 6.145 7.760 -7.573 1.00 0.00 N ATOM 158 CA ASP A 20 6.992 7.008 -6.654 1.00 0.00 C ATOM 159 C ASP A 20 6.247 5.802 -6.093 1.00 0.00 C ATOM 160 O ASP A 20 6.765 4.685 -6.087 1.00 0.00 O ATOM 161 CB ASP A 20 7.465 7.909 -5.512 1.00 0.00 C ATOM 162 CG ASP A 20 8.648 7.323 -4.767 1.00 0.00 C ATOM 163 OD1 ASP A 20 8.459 6.319 -4.049 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.764 7.869 -4.901 1.00 0.00 O ATOM 0 H ASP A 20 5.893 8.693 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 20 7.860 6.650 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.738 8.885 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.643 8.069 -4.815 1.00 0.00 H new ATOM 169 N VAL A 21 5.027 6.034 -5.618 1.00 0.00 N ATOM 170 CA VAL A 21 4.210 4.967 -5.054 1.00 0.00 C ATOM 171 C VAL A 21 3.932 3.882 -6.088 1.00 0.00 C ATOM 172 O VAL A 21 3.794 2.706 -5.749 1.00 0.00 O ATOM 173 CB VAL A 21 2.870 5.508 -4.521 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.116 4.421 -3.770 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.101 6.720 -3.630 1.00 0.00 C ATOM 0 H VAL A 21 4.583 6.952 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 21 4.776 4.539 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 21 2.261 5.820 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.172 4.822 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.918 3.585 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.717 4.076 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.144 7.089 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.729 6.436 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.596 7.504 -4.203 1.00 0.00 H new ATOM 185 N LYS A 22 3.852 4.283 -7.351 1.00 0.00 N ATOM 186 CA LYS A 22 3.592 3.346 -8.438 1.00 0.00 C ATOM 187 C LYS A 22 4.741 2.354 -8.586 1.00 0.00 C ATOM 188 O LYS A 22 4.530 1.191 -8.934 1.00 0.00 O ATOM 189 CB LYS A 22 3.385 4.102 -9.753 1.00 0.00 C ATOM 190 CG LYS A 22 3.375 3.202 -10.977 1.00 0.00 C ATOM 191 CD LYS A 22 2.419 3.716 -12.039 1.00 0.00 C ATOM 192 CE LYS A 22 2.835 5.089 -12.547 1.00 0.00 C ATOM 193 NZ LYS A 22 2.186 6.186 -11.777 1.00 0.00 N ATOM 0 H LYS A 22 3.964 5.252 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 22 2.684 2.792 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.442 4.646 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.176 4.844 -9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.381 3.139 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.087 2.192 -10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.387 3.013 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.411 3.769 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.918 5.189 -12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.573 5.181 -13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.164 7.050 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.214 5.910 -11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.726 6.365 -10.906 1.00 0.00 H new ATOM 207 N THR A 23 5.957 2.818 -8.317 1.00 0.00 N ATOM 208 CA THR A 23 7.138 1.971 -8.420 1.00 0.00 C ATOM 209 C THR A 23 7.166 0.927 -7.309 1.00 0.00 C ATOM 210 O THR A 23 7.197 -0.275 -7.573 1.00 0.00 O ATOM 211 CB THR A 23 8.434 2.803 -8.360 1.00 0.00 C ATOM 212 OG1 THR A 23 8.445 3.769 -9.416 1.00 0.00 O ATOM 213 CG2 THR A 23 9.658 1.908 -8.470 1.00 0.00 C ATOM 0 H THR A 23 6.150 3.776 -8.026 1.00 0.00 H new ATOM 0 HA THR A 23 7.082 1.468 -9.386 1.00 0.00 H new ATOM 0 HB THR A 23 8.466 3.316 -7.399 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.719 4.413 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.560 2.518 -8.425 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.662 1.194 -7.647 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.631 1.369 -9.417 1.00 0.00 H new ATOM 221 N LEU A 24 7.152 1.394 -6.066 1.00 0.00 N ATOM 222 CA LEU A 24 7.174 0.501 -4.913 1.00 0.00 C ATOM 223 C LEU A 24 5.974 -0.441 -4.931 1.00 0.00 C ATOM 224 O LEU A 24 6.053 -1.574 -4.456 1.00 0.00 O ATOM 225 CB LEU A 24 7.183 1.310 -3.616 1.00 0.00 C ATOM 226 CG LEU A 24 5.822 1.804 -3.124 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.179 0.774 -2.208 1.00 0.00 C ATOM 228 CD2 LEU A 24 5.966 3.140 -2.409 1.00 0.00 C ATOM 0 H LEU A 24 7.126 2.386 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 24 8.083 -0.098 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.630 0.698 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.832 2.174 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 24 5.174 1.945 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.211 1.143 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.040 -0.160 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.824 0.600 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.988 3.476 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.631 3.025 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.383 3.877 -3.095 1.00 0.00 H new ATOM 240 N LEU A 25 4.864 0.034 -5.484 1.00 0.00 N ATOM 241 CA LEU A 25 3.647 -0.765 -5.567 1.00 0.00 C ATOM 242 C LEU A 25 3.818 -1.917 -6.552 1.00 0.00 C ATOM 243 O LEU A 25 3.481 -3.062 -6.249 1.00 0.00 O ATOM 244 CB LEU A 25 2.465 0.110 -5.988 1.00 0.00 C ATOM 245 CG LEU A 25 1.747 0.855 -4.862 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.711 1.812 -5.432 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.096 -0.129 -3.902 1.00 0.00 C ATOM 0 H LEU A 25 4.782 0.970 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 25 3.448 -1.182 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.821 0.843 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.738 -0.519 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 25 2.484 1.437 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.210 2.334 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.203 2.538 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.024 1.251 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.590 0.419 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.371 -0.738 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.860 -0.774 -3.468 1.00 0.00 H new ATOM 259 N LYS A 26 4.344 -1.607 -7.732 1.00 0.00 N ATOM 260 CA LYS A 26 4.565 -2.615 -8.762 1.00 0.00 C ATOM 261 C LYS A 26 5.727 -3.529 -8.388 1.00 0.00 C ATOM 262 O LYS A 26 5.735 -4.710 -8.733 1.00 0.00 O ATOM 263 CB LYS A 26 4.840 -1.945 -10.109 1.00 0.00 C ATOM 264 CG LYS A 26 3.627 -1.893 -11.022 1.00 0.00 C ATOM 265 CD LYS A 26 3.475 -3.174 -11.823 1.00 0.00 C ATOM 266 CE LYS A 26 4.372 -3.173 -13.052 1.00 0.00 C ATOM 267 NZ LYS A 26 3.944 -2.154 -14.050 1.00 0.00 N ATOM 0 H LYS A 26 4.626 -0.664 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 26 3.662 -3.221 -8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.196 -0.930 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.642 -2.482 -10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.729 -1.727 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.719 -1.046 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.720 -4.029 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.436 -3.291 -12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.401 -2.976 -12.751 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.358 -4.161 -13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.336 -2.395 -14.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.906 -2.137 -14.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.291 -1.217 -13.760 1.00 0.00 H new ATOM 281 N GLU A 27 6.706 -2.975 -7.681 1.00 0.00 N ATOM 282 CA GLU A 27 7.873 -3.741 -7.261 1.00 0.00 C ATOM 283 C GLU A 27 7.527 -4.666 -6.097 1.00 0.00 C ATOM 284 O GLU A 27 7.912 -5.835 -6.083 1.00 0.00 O ATOM 285 CB GLU A 27 9.012 -2.801 -6.858 1.00 0.00 C ATOM 286 CG GLU A 27 9.693 -2.130 -8.039 1.00 0.00 C ATOM 287 CD GLU A 27 11.043 -1.543 -7.676 1.00 0.00 C ATOM 288 OE1 GLU A 27 12.046 -2.287 -7.729 1.00 0.00 O ATOM 289 OE2 GLU A 27 11.098 -0.342 -7.341 1.00 0.00 O ATOM 0 H GLU A 27 6.714 -1.998 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 27 8.197 -4.351 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.620 -2.033 -6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.755 -3.365 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.821 -2.857 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.049 -1.340 -8.424 1.00 0.00 H new ATOM 296 N TRP A 28 6.799 -4.133 -5.122 1.00 0.00 N ATOM 297 CA TRP A 28 6.401 -4.909 -3.953 1.00 0.00 C ATOM 298 C TRP A 28 5.527 -6.092 -4.358 1.00 0.00 C ATOM 299 O TRP A 28 5.379 -7.052 -3.600 1.00 0.00 O ATOM 300 CB TRP A 28 5.651 -4.023 -2.959 1.00 0.00 C ATOM 301 CG TRP A 28 5.158 -4.766 -1.755 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.896 -5.552 -0.917 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.816 -4.796 -1.255 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.094 -6.069 0.073 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.814 -5.618 -0.112 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.616 -4.205 -1.661 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.660 -5.864 0.626 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.471 -4.451 -0.929 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.499 -5.273 0.205 1.00 0.00 C ATOM 0 H TRP A 28 6.472 -3.167 -5.118 1.00 0.00 H new ATOM 0 HA TRP A 28 7.304 -5.293 -3.478 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.308 -3.216 -2.635 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.803 -3.560 -3.464 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.955 -5.740 -1.017 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.402 -6.688 0.823 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.585 -3.567 -2.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.680 -6.499 1.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.538 -4.002 -1.236 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.587 -5.444 0.758 1.00 0.00 H new ATOM 320 N ILE A 29 4.954 -6.018 -5.553 1.00 0.00 N ATOM 321 CA ILE A 29 4.098 -7.084 -6.057 1.00 0.00 C ATOM 322 C ILE A 29 4.878 -8.039 -6.955 1.00 0.00 C ATOM 323 O ILE A 29 4.642 -9.247 -6.949 1.00 0.00 O ATOM 324 CB ILE A 29 2.900 -6.520 -6.845 1.00 0.00 C ATOM 325 CG1 ILE A 29 2.047 -5.623 -5.944 1.00 0.00 C ATOM 326 CG2 ILE A 29 2.063 -7.653 -7.419 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.131 -4.696 -6.710 1.00 0.00 C ATOM 0 H ILE A 29 5.067 -5.230 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 29 3.728 -7.627 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 29 3.278 -5.919 -7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.447 -6.250 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.704 -5.029 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.221 -7.239 -7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.677 -8.255 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.691 -8.278 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.557 -4.090 -6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.726 -4.044 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.449 -5.284 -7.324 1.00 0.00 H new ATOM 339 N THR A 30 5.809 -7.487 -7.727 1.00 0.00 N ATOM 340 CA THR A 30 6.625 -8.289 -8.630 1.00 0.00 C ATOM 341 C THR A 30 7.764 -8.973 -7.881 1.00 0.00 C ATOM 342 O THR A 30 7.834 -10.202 -7.826 1.00 0.00 O ATOM 343 CB THR A 30 7.216 -7.430 -9.765 1.00 0.00 C ATOM 344 OG1 THR A 30 7.949 -6.330 -9.216 1.00 0.00 O ATOM 345 CG2 THR A 30 6.116 -6.909 -10.677 1.00 0.00 C ATOM 0 H THR A 30 6.016 -6.488 -7.745 1.00 0.00 H new ATOM 0 HA THR A 30 5.970 -9.046 -9.060 1.00 0.00 H new ATOM 0 HB THR A 30 7.888 -8.056 -10.353 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.351 -5.562 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.557 -6.305 -11.471 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.579 -7.750 -11.116 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.423 -6.298 -10.099 1.00 0.00 H new ATOM 353 N THR A 31 8.653 -8.172 -7.305 1.00 0.00 N ATOM 354 CA THR A 31 9.789 -8.701 -6.560 1.00 0.00 C ATOM 355 C THR A 31 9.337 -9.716 -5.517 1.00 0.00 C ATOM 356 O THR A 31 9.901 -10.805 -5.412 1.00 0.00 O ATOM 357 CB THR A 31 10.575 -7.576 -5.860 1.00 0.00 C ATOM 358 OG1 THR A 31 9.805 -7.041 -4.777 1.00 0.00 O ATOM 359 CG2 THR A 31 10.919 -6.465 -6.841 1.00 0.00 C ATOM 0 H THR A 31 8.609 -7.154 -7.340 1.00 0.00 H new ATOM 0 HA THR A 31 10.440 -9.193 -7.283 1.00 0.00 H new ATOM 0 HB THR A 31 11.503 -7.998 -5.473 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.094 -6.468 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.474 -5.682 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.529 -6.869 -7.649 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.001 -6.047 -7.254 1.00 0.00 H new ATOM 367 N ILE A 32 8.317 -9.351 -4.747 1.00 0.00 N ATOM 368 CA ILE A 32 7.789 -10.231 -3.712 1.00 0.00 C ATOM 369 C ILE A 32 6.623 -11.062 -4.239 1.00 0.00 C ATOM 370 O ILE A 32 5.859 -10.607 -5.092 1.00 0.00 O ATOM 371 CB ILE A 32 7.321 -9.435 -2.480 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.386 -8.417 -2.069 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.008 -10.378 -1.328 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.730 -9.040 -1.761 1.00 0.00 C ATOM 0 H ILE A 32 7.840 -8.452 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 32 8.602 -10.895 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 32 6.410 -8.895 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.508 -7.687 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.037 -7.872 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.678 -9.800 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.218 -11.067 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.903 -10.943 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.436 -8.260 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.623 -9.749 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.101 -9.561 -2.644 1.00 0.00 H new ATOM 386 N SER A 33 6.493 -12.281 -3.726 1.00 0.00 N ATOM 387 CA SER A 33 5.421 -13.176 -4.147 1.00 0.00 C ATOM 388 C SER A 33 4.609 -13.653 -2.946 1.00 0.00 C ATOM 389 O SER A 33 3.389 -13.801 -3.027 1.00 0.00 O ATOM 390 CB SER A 33 5.997 -14.379 -4.896 1.00 0.00 C ATOM 391 OG SER A 33 6.865 -13.963 -5.936 1.00 0.00 O ATOM 0 H SER A 33 7.116 -12.672 -3.019 1.00 0.00 H new ATOM 0 HA SER A 33 4.761 -12.623 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.539 -15.020 -4.200 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.185 -14.975 -5.312 1.00 0.00 H new ATOM 0 HG SER A 33 7.222 -14.750 -6.399 1.00 0.00 H new ATOM 397 N ASP A 34 5.295 -13.892 -1.833 1.00 0.00 N ATOM 398 CA ASP A 34 4.638 -14.351 -0.615 1.00 0.00 C ATOM 399 C ASP A 34 5.122 -13.557 0.595 1.00 0.00 C ATOM 400 O ASP A 34 5.882 -14.048 1.428 1.00 0.00 O ATOM 401 CB ASP A 34 4.902 -15.842 -0.398 1.00 0.00 C ATOM 402 CG ASP A 34 4.053 -16.717 -1.300 1.00 0.00 C ATOM 403 OD1 ASP A 34 2.940 -16.286 -1.668 1.00 0.00 O ATOM 404 OD2 ASP A 34 4.503 -17.830 -1.640 1.00 0.00 O ATOM 0 H ASP A 34 6.305 -13.775 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 34 3.566 -14.192 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.956 -16.052 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.702 -16.096 0.643 1.00 0.00 H new ATOM 409 N PRO A 35 4.670 -12.297 0.694 1.00 0.00 N ATOM 410 CA PRO A 35 5.044 -11.407 1.797 1.00 0.00 C ATOM 411 C PRO A 35 4.426 -11.837 3.124 1.00 0.00 C ATOM 412 O PRO A 35 3.502 -12.650 3.154 1.00 0.00 O ATOM 413 CB PRO A 35 4.485 -10.050 1.363 1.00 0.00 C ATOM 414 CG PRO A 35 3.361 -10.379 0.444 1.00 0.00 C ATOM 415 CD PRO A 35 3.760 -11.646 -0.263 1.00 0.00 C ATOM 0 HA PRO A 35 6.120 -11.405 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.139 -9.472 2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.245 -9.451 0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.432 -10.517 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.191 -9.572 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.896 -12.272 -0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.255 -11.438 -1.211 1.00 0.00 H new ATOM 423 N MET A 36 4.940 -11.286 4.218 1.00 0.00 N ATOM 424 CA MET A 36 4.437 -11.612 5.547 1.00 0.00 C ATOM 425 C MET A 36 3.304 -10.672 5.945 1.00 0.00 C ATOM 426 O MET A 36 3.020 -9.698 5.247 1.00 0.00 O ATOM 427 CB MET A 36 5.566 -11.534 6.577 1.00 0.00 C ATOM 428 CG MET A 36 5.557 -12.679 7.576 1.00 0.00 C ATOM 429 SD MET A 36 5.922 -14.271 6.813 1.00 0.00 S ATOM 430 CE MET A 36 7.260 -14.847 7.855 1.00 0.00 C ATOM 0 H MET A 36 5.705 -10.611 4.211 1.00 0.00 H new ATOM 0 HA MET A 36 4.049 -12.630 5.521 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.523 -11.525 6.055 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.489 -10.591 7.117 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.289 -12.479 8.358 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.581 -12.727 8.058 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.596 -15.824 7.509 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.089 -14.141 7.807 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.911 -14.927 8.884 1.00 0.00 H new ATOM 440 N GLU A 37 2.662 -10.969 7.071 1.00 0.00 N ATOM 441 CA GLU A 37 1.560 -10.149 7.559 1.00 0.00 C ATOM 442 C GLU A 37 2.009 -8.707 7.777 1.00 0.00 C ATOM 443 O GLU A 37 1.229 -7.771 7.601 1.00 0.00 O ATOM 444 CB GLU A 37 1.007 -10.724 8.864 1.00 0.00 C ATOM 445 CG GLU A 37 2.014 -10.732 10.002 1.00 0.00 C ATOM 446 CD GLU A 37 1.416 -11.218 11.308 1.00 0.00 C ATOM 447 OE1 GLU A 37 0.333 -11.839 11.271 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.032 -10.979 12.368 1.00 0.00 O ATOM 0 H GLU A 37 2.886 -11.770 7.661 1.00 0.00 H new ATOM 0 HA GLU A 37 0.774 -10.156 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.135 -10.144 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.665 -11.744 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.856 -11.370 9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.409 -9.725 10.140 1.00 0.00 H new ATOM 455 N GLU A 38 3.270 -8.537 8.159 1.00 0.00 N ATOM 456 CA GLU A 38 3.822 -7.210 8.402 1.00 0.00 C ATOM 457 C GLU A 38 3.792 -6.367 7.130 1.00 0.00 C ATOM 458 O GLU A 38 3.528 -5.165 7.175 1.00 0.00 O ATOM 459 CB GLU A 38 5.258 -7.317 8.922 1.00 0.00 C ATOM 460 CG GLU A 38 6.212 -7.976 7.940 1.00 0.00 C ATOM 461 CD GLU A 38 7.244 -8.851 8.628 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.322 -8.329 8.981 1.00 0.00 O ATOM 463 OE2 GLU A 38 6.973 -10.056 8.812 1.00 0.00 O ATOM 0 H GLU A 38 3.929 -9.302 8.307 1.00 0.00 H new ATOM 0 HA GLU A 38 3.206 -6.721 9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.625 -6.318 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.257 -7.885 9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.642 -8.580 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.722 -7.206 7.361 1.00 0.00 H new ATOM 470 N ASP A 39 4.065 -7.005 5.998 1.00 0.00 N ATOM 471 CA ASP A 39 4.068 -6.316 4.713 1.00 0.00 C ATOM 472 C ASP A 39 2.727 -5.635 4.458 1.00 0.00 C ATOM 473 O ASP A 39 2.674 -4.533 3.909 1.00 0.00 O ATOM 474 CB ASP A 39 4.378 -7.298 3.583 1.00 0.00 C ATOM 475 CG ASP A 39 5.775 -7.877 3.686 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.014 -8.693 4.602 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.629 -7.515 2.850 1.00 0.00 O ATOM 0 H ASP A 39 4.287 -7.999 5.944 1.00 0.00 H new ATOM 0 HA ASP A 39 4.844 -5.551 4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.650 -8.109 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.268 -6.791 2.624 1.00 0.00 H new ATOM 482 N ILE A 40 1.647 -6.297 4.860 1.00 0.00 N ATOM 483 CA ILE A 40 0.306 -5.755 4.674 1.00 0.00 C ATOM 484 C ILE A 40 0.042 -4.603 5.638 1.00 0.00 C ATOM 485 O ILE A 40 -0.705 -3.675 5.323 1.00 0.00 O ATOM 486 CB ILE A 40 -0.771 -6.837 4.876 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.579 -7.972 3.868 1.00 0.00 C ATOM 488 CG2 ILE A 40 -2.160 -6.232 4.743 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.328 -9.076 4.367 1.00 0.00 C ATOM 0 H ILE A 40 1.674 -7.209 5.316 1.00 0.00 H new ATOM 0 HA ILE A 40 0.252 -5.388 3.649 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.670 -7.248 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.552 -8.396 3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.166 -7.562 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.911 -7.009 4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.292 -5.455 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.274 -5.798 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.419 -9.846 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.313 -8.666 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.094 -9.512 5.272 1.00 0.00 H new ATOM 501 N LEU A 41 0.659 -4.668 6.813 1.00 0.00 N ATOM 502 CA LEU A 41 0.491 -3.629 7.823 1.00 0.00 C ATOM 503 C LEU A 41 1.278 -2.377 7.451 1.00 0.00 C ATOM 504 O LEU A 41 0.896 -1.263 7.811 1.00 0.00 O ATOM 505 CB LEU A 41 0.944 -4.143 9.191 1.00 0.00 C ATOM 506 CG LEU A 41 -0.132 -4.813 10.046 1.00 0.00 C ATOM 507 CD1 LEU A 41 -1.243 -3.828 10.375 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.694 -6.036 9.334 1.00 0.00 C ATOM 0 H LEU A 41 1.280 -5.429 7.090 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.567 -3.370 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.755 -4.856 9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.357 -3.305 9.753 1.00 0.00 H new ATOM 0 HG LEU A 41 0.325 -5.139 10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.000 -4.323 10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.829 -2.983 10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.698 -3.471 9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.458 -6.500 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.135 -5.733 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.108 -6.751 9.151 1.00 0.00 H new ATOM 520 N GLN A 42 2.377 -2.566 6.730 1.00 0.00 N ATOM 521 CA GLN A 42 3.216 -1.451 6.308 1.00 0.00 C ATOM 522 C GLN A 42 2.504 -0.598 5.264 1.00 0.00 C ATOM 523 O GLN A 42 2.463 0.628 5.372 1.00 0.00 O ATOM 524 CB GLN A 42 4.541 -1.967 5.745 1.00 0.00 C ATOM 525 CG GLN A 42 5.472 -2.539 6.803 1.00 0.00 C ATOM 526 CD GLN A 42 5.792 -1.540 7.898 1.00 0.00 C ATOM 527 OE1 GLN A 42 5.685 -1.848 9.085 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.189 -0.336 7.504 1.00 0.00 N ATOM 0 H GLN A 42 2.708 -3.481 6.425 1.00 0.00 H new ATOM 0 HA GLN A 42 3.417 -0.830 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.335 -2.736 5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.049 -1.152 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.014 -3.423 7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.399 -2.863 6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.264 -0.124 6.509 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.419 0.377 8.196 1.00 0.00 H new ATOM 537 N VAL A 43 1.943 -1.254 4.254 1.00 0.00 N ATOM 538 CA VAL A 43 1.231 -0.555 3.189 1.00 0.00 C ATOM 539 C VAL A 43 0.024 0.196 3.737 1.00 0.00 C ATOM 540 O VAL A 43 -0.334 1.264 3.242 1.00 0.00 O ATOM 541 CB VAL A 43 0.762 -1.531 2.093 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.955 -2.110 1.347 1.00 0.00 C ATOM 543 CG2 VAL A 43 -0.090 -2.638 2.696 1.00 0.00 C ATOM 0 H VAL A 43 1.967 -2.268 4.150 1.00 0.00 H new ATOM 0 HA VAL A 43 1.931 0.158 2.754 1.00 0.00 H new ATOM 0 HB VAL A 43 0.150 -0.981 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.604 -2.797 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.521 -1.302 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.596 -2.646 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.413 -3.319 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.496 -3.188 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.964 -2.202 3.180 1.00 0.00 H new ATOM 553 N VAL A 44 -0.602 -0.370 4.764 1.00 0.00 N ATOM 554 CA VAL A 44 -1.770 0.246 5.383 1.00 0.00 C ATOM 555 C VAL A 44 -1.372 1.451 6.229 1.00 0.00 C ATOM 556 O VAL A 44 -2.140 2.402 6.373 1.00 0.00 O ATOM 557 CB VAL A 44 -2.533 -0.758 6.266 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.698 -0.076 6.966 1.00 0.00 C ATOM 559 CG2 VAL A 44 -3.017 -1.937 5.435 1.00 0.00 C ATOM 0 H VAL A 44 -0.320 -1.255 5.185 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.422 0.573 4.573 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.852 -1.135 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.225 -0.801 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.323 0.732 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.382 0.331 6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.554 -2.637 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.682 -1.579 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.161 -2.440 4.985 1.00 0.00 H new ATOM 569 N ARG A 45 -0.167 1.403 6.787 1.00 0.00 N ATOM 570 CA ARG A 45 0.333 2.490 7.620 1.00 0.00 C ATOM 571 C ARG A 45 0.575 3.745 6.787 1.00 0.00 C ATOM 572 O ARG A 45 0.429 4.865 7.278 1.00 0.00 O ATOM 573 CB ARG A 45 1.627 2.071 8.320 1.00 0.00 C ATOM 574 CG ARG A 45 2.344 3.219 9.011 1.00 0.00 C ATOM 575 CD ARG A 45 1.463 3.874 10.064 1.00 0.00 C ATOM 576 NE ARG A 45 1.196 2.980 11.187 1.00 0.00 N ATOM 577 CZ ARG A 45 2.047 2.782 12.187 1.00 0.00 C ATOM 578 NH1 ARG A 45 3.214 3.411 12.203 1.00 0.00 N ATOM 579 NH2 ARG A 45 1.732 1.953 13.174 1.00 0.00 N ATOM 0 H ARG A 45 0.481 0.623 6.677 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.422 2.715 8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.399 1.300 9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.298 1.623 7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.258 2.850 9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.641 3.962 8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.947 4.780 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.520 4.177 9.610 1.00 0.00 H new ATOM 0 HE ARG A 45 0.307 2.480 11.204 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.460 4.049 11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.866 3.257 12.972 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.835 1.467 13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.387 1.802 13.942 1.00 0.00 H new ATOM 593 N TYR A 46 0.948 3.550 5.527 1.00 0.00 N ATOM 594 CA TYR A 46 1.214 4.666 4.628 1.00 0.00 C ATOM 595 C TYR A 46 -0.084 5.347 4.206 1.00 0.00 C ATOM 596 O TYR A 46 -0.152 6.574 4.110 1.00 0.00 O ATOM 597 CB TYR A 46 1.974 4.181 3.391 1.00 0.00 C ATOM 598 CG TYR A 46 2.069 5.218 2.294 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.841 6.362 2.457 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.386 5.052 1.096 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.929 7.310 1.457 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.471 5.996 0.090 1.00 0.00 C ATOM 603 CZ TYR A 46 2.242 7.124 0.276 1.00 0.00 C ATOM 604 OH TYR A 46 2.328 8.066 -0.723 1.00 0.00 O ATOM 0 H TYR A 46 1.073 2.630 5.105 1.00 0.00 H new ATOM 0 HA TYR A 46 1.827 5.392 5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.980 3.883 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.481 3.292 2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.381 6.512 3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.779 4.171 0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.533 8.194 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.936 5.851 -0.837 1.00 0.00 H new ATOM 0 HH TYR A 46 3.201 8.509 -0.681 1.00 0.00 H new ATOM 614 N CYS A 47 -1.111 4.544 3.955 1.00 0.00 N ATOM 615 CA CYS A 47 -2.409 5.068 3.543 1.00 0.00 C ATOM 616 C CYS A 47 -3.035 5.904 4.655 1.00 0.00 C ATOM 617 O CYS A 47 -3.434 7.048 4.437 1.00 0.00 O ATOM 618 CB CYS A 47 -3.346 3.923 3.159 1.00 0.00 C ATOM 619 SG CYS A 47 -2.681 2.816 1.894 1.00 0.00 S ATOM 0 H CYS A 47 -1.071 3.528 4.029 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.256 5.708 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.575 3.341 4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.287 4.342 2.801 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.691 2.135 2.390 1.00 0.00 H new ATOM 625 N THR A 48 -3.122 5.324 5.848 1.00 0.00 N ATOM 626 CA THR A 48 -3.703 6.012 6.993 1.00 0.00 C ATOM 627 C THR A 48 -2.956 7.308 7.291 1.00 0.00 C ATOM 628 O THR A 48 -3.570 8.339 7.570 1.00 0.00 O ATOM 629 CB THR A 48 -3.687 5.123 8.251 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.400 3.907 7.999 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.313 5.848 9.434 1.00 0.00 C ATOM 0 H THR A 48 -2.797 4.378 6.046 1.00 0.00 H new ATOM 0 HA THR A 48 -4.736 6.242 6.733 1.00 0.00 H new ATOM 0 HB THR A 48 -2.650 4.893 8.494 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.833 3.296 7.483 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.291 5.201 10.311 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.751 6.759 9.641 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.346 6.104 9.199 1.00 0.00 H new ATOM 639 N ASP A 49 -1.631 7.249 7.231 1.00 0.00 N ATOM 640 CA ASP A 49 -0.801 8.419 7.493 1.00 0.00 C ATOM 641 C ASP A 49 -1.236 9.598 6.629 1.00 0.00 C ATOM 642 O ASP A 49 -1.200 10.749 7.068 1.00 0.00 O ATOM 643 CB ASP A 49 0.671 8.095 7.232 1.00 0.00 C ATOM 644 CG ASP A 49 1.608 9.071 7.916 1.00 0.00 C ATOM 645 OD1 ASP A 49 1.317 9.469 9.063 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.633 9.438 7.304 1.00 0.00 O ATOM 0 H ASP A 49 -1.108 6.403 7.003 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.924 8.694 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.885 7.085 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.858 8.108 6.158 1.00 0.00 H new ATOM 651 N LEU A 50 -1.646 9.306 5.400 1.00 0.00 N ATOM 652 CA LEU A 50 -2.087 10.342 4.474 1.00 0.00 C ATOM 653 C LEU A 50 -3.390 10.978 4.948 1.00 0.00 C ATOM 654 O LEU A 50 -3.535 12.200 4.937 1.00 0.00 O ATOM 655 CB LEU A 50 -2.274 9.756 3.073 1.00 0.00 C ATOM 656 CG LEU A 50 -0.998 9.308 2.358 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.340 8.515 1.106 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.131 10.509 2.011 1.00 0.00 C ATOM 0 H LEU A 50 -1.682 8.359 5.022 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.318 11.114 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.946 8.901 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.772 10.501 2.453 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.434 8.662 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.421 8.204 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.920 7.634 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.925 9.138 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.772 10.171 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.686 11.181 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.142 11.036 2.925 1.00 0.00 H new ATOM 670 N ILE A 51 -4.333 10.141 5.366 1.00 0.00 N ATOM 671 CA ILE A 51 -5.622 10.622 5.849 1.00 0.00 C ATOM 672 C ILE A 51 -5.451 11.537 7.055 1.00 0.00 C ATOM 673 O ILE A 51 -6.305 12.379 7.334 1.00 0.00 O ATOM 674 CB ILE A 51 -6.551 9.455 6.232 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.794 8.549 5.023 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.869 9.984 6.778 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.930 7.086 5.381 1.00 0.00 C ATOM 0 H ILE A 51 -4.229 9.126 5.380 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.075 11.183 5.032 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.067 8.866 7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.700 8.875 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.970 8.667 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.515 9.147 7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.679 10.591 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.359 10.593 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.100 6.504 4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.016 6.744 5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.772 6.954 6.061 1.00 0.00 H new ATOM 689 N GLU A 52 -4.341 11.368 7.767 1.00 0.00 N ATOM 690 CA GLU A 52 -4.057 12.182 8.944 1.00 0.00 C ATOM 691 C GLU A 52 -3.616 13.587 8.541 1.00 0.00 C ATOM 692 O GLU A 52 -3.770 14.538 9.305 1.00 0.00 O ATOM 693 CB GLU A 52 -2.973 11.522 9.799 1.00 0.00 C ATOM 694 CG GLU A 52 -3.389 10.180 10.378 1.00 0.00 C ATOM 695 CD GLU A 52 -2.498 9.737 11.521 1.00 0.00 C ATOM 696 OE1 GLU A 52 -1.331 10.180 11.570 1.00 0.00 O ATOM 697 OE2 GLU A 52 -2.965 8.946 12.367 1.00 0.00 O ATOM 0 H GLU A 52 -3.624 10.676 7.550 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.974 12.261 9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.077 11.385 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.706 12.194 10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.419 10.243 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.366 9.426 9.591 1.00 0.00 H new ATOM 704 N GLU A 53 -3.068 13.706 7.336 1.00 0.00 N ATOM 705 CA GLU A 53 -2.605 14.994 6.833 1.00 0.00 C ATOM 706 C GLU A 53 -3.494 15.485 5.695 1.00 0.00 C ATOM 707 O GLU A 53 -3.144 16.425 4.979 1.00 0.00 O ATOM 708 CB GLU A 53 -1.156 14.886 6.353 1.00 0.00 C ATOM 709 CG GLU A 53 -0.901 13.691 5.449 1.00 0.00 C ATOM 710 CD GLU A 53 0.523 13.647 4.929 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.273 14.618 5.165 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.888 12.640 4.286 1.00 0.00 O ATOM 0 H GLU A 53 -2.934 12.927 6.691 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.658 15.715 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.890 15.798 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.499 14.822 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.112 12.773 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.591 13.724 4.606 1.00 0.00 H new ATOM 719 N LYS A 54 -4.647 14.844 5.534 1.00 0.00 N ATOM 720 CA LYS A 54 -5.588 15.215 4.483 1.00 0.00 C ATOM 721 C LYS A 54 -4.983 14.983 3.103 1.00 0.00 C ATOM 722 O LYS A 54 -5.488 15.490 2.101 1.00 0.00 O ATOM 723 CB LYS A 54 -5.999 16.682 4.633 1.00 0.00 C ATOM 724 CG LYS A 54 -6.330 17.078 6.062 1.00 0.00 C ATOM 725 CD LYS A 54 -7.693 17.744 6.153 1.00 0.00 C ATOM 726 CE LYS A 54 -8.817 16.720 6.134 1.00 0.00 C ATOM 727 NZ LYS A 54 -9.304 16.458 4.751 1.00 0.00 N ATOM 0 H LYS A 54 -4.952 14.065 6.118 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.472 14.585 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.192 17.316 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.866 16.874 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.312 16.194 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.566 17.758 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.751 18.332 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.817 18.437 5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.467 15.788 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.644 17.076 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.281 16.103 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.276 17.340 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.695 15.747 4.297 1.00 0.00 H new ATOM 741 N ASP A 55 -3.901 14.213 3.058 1.00 0.00 N ATOM 742 CA ASP A 55 -3.229 13.912 1.799 1.00 0.00 C ATOM 743 C ASP A 55 -3.692 12.569 1.244 1.00 0.00 C ATOM 744 O ASP A 55 -2.933 11.868 0.573 1.00 0.00 O ATOM 745 CB ASP A 55 -1.713 13.901 1.996 1.00 0.00 C ATOM 746 CG ASP A 55 -1.185 15.229 2.505 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.994 16.167 2.665 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.036 15.329 2.746 1.00 0.00 O ATOM 0 H ASP A 55 -3.471 13.786 3.878 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.489 14.690 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.447 13.113 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.228 13.659 1.050 1.00 0.00 H new ATOM 753 N LEU A 56 -4.940 12.216 1.528 1.00 0.00 N ATOM 754 CA LEU A 56 -5.505 10.955 1.058 1.00 0.00 C ATOM 755 C LEU A 56 -5.906 11.053 -0.411 1.00 0.00 C ATOM 756 O LEU A 56 -6.339 10.070 -1.011 1.00 0.00 O ATOM 757 CB LEU A 56 -6.719 10.569 1.905 1.00 0.00 C ATOM 758 CG LEU A 56 -7.640 11.717 2.321 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.046 12.541 1.108 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.869 11.181 3.040 1.00 0.00 C ATOM 0 H LEU A 56 -5.581 12.785 2.081 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.741 10.184 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.308 9.840 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.364 10.070 2.807 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.095 12.364 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.701 13.353 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.156 12.955 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.572 11.905 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.513 12.012 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.416 10.512 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.560 10.635 3.931 1.00 0.00 H new ATOM 772 N GLU A 57 -5.757 12.244 -0.982 1.00 0.00 N ATOM 773 CA GLU A 57 -6.103 12.468 -2.381 1.00 0.00 C ATOM 774 C GLU A 57 -5.424 11.438 -3.281 1.00 0.00 C ATOM 775 O GLU A 57 -6.074 10.790 -4.101 1.00 0.00 O ATOM 776 CB GLU A 57 -5.699 13.880 -2.809 1.00 0.00 C ATOM 777 CG GLU A 57 -6.556 14.971 -2.191 1.00 0.00 C ATOM 778 CD GLU A 57 -6.563 16.245 -3.014 1.00 0.00 C ATOM 779 OE1 GLU A 57 -5.534 16.952 -3.020 1.00 0.00 O ATOM 780 OE2 GLU A 57 -7.597 16.534 -3.651 1.00 0.00 O ATOM 0 H GLU A 57 -5.399 13.068 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.183 12.360 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.657 14.049 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.760 13.953 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.578 14.607 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.189 15.192 -1.189 1.00 0.00 H new ATOM 787 N LYS A 58 -4.113 11.294 -3.121 1.00 0.00 N ATOM 788 CA LYS A 58 -3.344 10.344 -3.917 1.00 0.00 C ATOM 789 C LYS A 58 -3.665 8.909 -3.511 1.00 0.00 C ATOM 790 O LYS A 58 -3.700 8.009 -4.351 1.00 0.00 O ATOM 791 CB LYS A 58 -1.846 10.608 -3.755 1.00 0.00 C ATOM 792 CG LYS A 58 -1.288 11.590 -4.771 1.00 0.00 C ATOM 793 CD LYS A 58 -1.623 13.025 -4.401 1.00 0.00 C ATOM 794 CE LYS A 58 -0.611 13.599 -3.422 1.00 0.00 C ATOM 795 NZ LYS A 58 0.606 14.106 -4.114 1.00 0.00 N ATOM 0 H LYS A 58 -3.560 11.823 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.619 10.477 -4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.660 10.991 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.308 9.664 -3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.206 11.473 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.693 11.364 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.647 13.638 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.620 13.065 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.072 14.410 -2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.326 12.831 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.271 14.489 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.060 13.327 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.338 14.857 -4.782 1.00 0.00 H new ATOM 809 N LEU A 59 -3.901 8.703 -2.221 1.00 0.00 N ATOM 810 CA LEU A 59 -4.221 7.377 -1.704 1.00 0.00 C ATOM 811 C LEU A 59 -5.400 6.768 -2.457 1.00 0.00 C ATOM 812 O LEU A 59 -5.360 5.604 -2.854 1.00 0.00 O ATOM 813 CB LEU A 59 -4.541 7.454 -0.209 1.00 0.00 C ATOM 814 CG LEU A 59 -5.341 6.285 0.367 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.618 4.970 0.119 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.586 6.488 1.854 1.00 0.00 C ATOM 0 H LEU A 59 -3.877 9.437 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.351 6.738 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.602 7.531 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.095 8.374 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.306 6.246 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.202 4.149 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.494 4.819 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.639 4.998 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.157 5.647 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.631 6.553 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.147 7.410 2.008 1.00 0.00 H new ATOM 828 N ASP A 60 -6.445 7.565 -2.652 1.00 0.00 N ATOM 829 CA ASP A 60 -7.633 7.107 -3.362 1.00 0.00 C ATOM 830 C ASP A 60 -7.259 6.475 -4.699 1.00 0.00 C ATOM 831 O ASP A 60 -7.900 5.527 -5.153 1.00 0.00 O ATOM 832 CB ASP A 60 -8.600 8.270 -3.586 1.00 0.00 C ATOM 833 CG ASP A 60 -9.718 8.300 -2.562 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.413 8.376 -1.353 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.898 8.245 -2.969 1.00 0.00 O ATOM 0 H ASP A 60 -6.493 8.531 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.123 6.351 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.049 9.210 -3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.029 8.195 -4.585 1.00 0.00 H new ATOM 840 N LEU A 61 -6.217 7.009 -5.327 1.00 0.00 N ATOM 841 CA LEU A 61 -5.756 6.499 -6.614 1.00 0.00 C ATOM 842 C LEU A 61 -4.966 5.206 -6.437 1.00 0.00 C ATOM 843 O LEU A 61 -4.997 4.324 -7.296 1.00 0.00 O ATOM 844 CB LEU A 61 -4.892 7.546 -7.320 1.00 0.00 C ATOM 845 CG LEU A 61 -5.397 8.987 -7.256 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.320 9.952 -7.726 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.660 9.148 -8.089 1.00 0.00 C ATOM 0 H LEU A 61 -5.676 7.795 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.632 6.286 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.892 7.513 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.796 7.262 -8.368 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.638 9.221 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.698 10.973 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.442 9.857 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.047 9.719 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.005 10.180 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.446 8.894 -9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.435 8.485 -7.706 1.00 0.00 H new ATOM 859 N VAL A 62 -4.259 5.100 -5.316 1.00 0.00 N ATOM 860 CA VAL A 62 -3.464 3.913 -5.024 1.00 0.00 C ATOM 861 C VAL A 62 -4.347 2.677 -4.894 1.00 0.00 C ATOM 862 O VAL A 62 -3.988 1.595 -5.358 1.00 0.00 O ATOM 863 CB VAL A 62 -2.651 4.089 -3.727 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.827 2.842 -3.440 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.758 5.317 -3.820 1.00 0.00 C ATOM 0 H VAL A 62 -4.221 5.821 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.778 3.778 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.346 4.235 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.259 2.985 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.491 1.985 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.139 2.662 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.191 5.426 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.069 5.203 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.373 6.203 -3.975 1.00 0.00 H new ATOM 875 N ILE A 63 -5.503 2.847 -4.261 1.00 0.00 N ATOM 876 CA ILE A 63 -6.438 1.745 -4.072 1.00 0.00 C ATOM 877 C ILE A 63 -6.808 1.103 -5.405 1.00 0.00 C ATOM 878 O ILE A 63 -6.945 -0.116 -5.503 1.00 0.00 O ATOM 879 CB ILE A 63 -7.724 2.214 -3.365 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.383 2.899 -2.040 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.660 1.037 -3.133 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.616 2.015 -1.082 1.00 0.00 C ATOM 0 H ILE A 63 -5.814 3.737 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.936 1.008 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.231 2.936 -4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.796 3.795 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.306 3.225 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.564 1.384 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.925 0.588 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.163 0.294 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.409 2.566 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.209 1.131 -0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.676 1.710 -1.542 1.00 0.00 H new ATOM 894 N LYS A 64 -6.968 1.934 -6.430 1.00 0.00 N ATOM 895 CA LYS A 64 -7.319 1.448 -7.760 1.00 0.00 C ATOM 896 C LYS A 64 -6.131 0.754 -8.417 1.00 0.00 C ATOM 897 O LYS A 64 -6.304 -0.137 -9.249 1.00 0.00 O ATOM 898 CB LYS A 64 -7.796 2.607 -8.638 1.00 0.00 C ATOM 899 CG LYS A 64 -8.803 3.516 -7.953 1.00 0.00 C ATOM 900 CD LYS A 64 -10.111 2.794 -7.682 1.00 0.00 C ATOM 901 CE LYS A 64 -10.807 2.396 -8.975 1.00 0.00 C ATOM 902 NZ LYS A 64 -12.190 1.902 -8.732 1.00 0.00 N ATOM 0 H LYS A 64 -6.860 2.946 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.126 0.723 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.933 3.199 -8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.243 2.203 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.386 3.880 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.991 4.389 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.919 1.904 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.768 3.437 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.841 3.253 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.227 1.620 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.630 1.641 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.157 1.069 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.751 2.650 -8.278 1.00 0.00 H new ATOM 916 N TYR A 65 -4.927 1.165 -8.036 1.00 0.00 N ATOM 917 CA TYR A 65 -3.711 0.583 -8.591 1.00 0.00 C ATOM 918 C TYR A 65 -3.402 -0.760 -7.935 1.00 0.00 C ATOM 919 O TYR A 65 -2.903 -1.680 -8.582 1.00 0.00 O ATOM 920 CB TYR A 65 -2.531 1.538 -8.402 1.00 0.00 C ATOM 921 CG TYR A 65 -1.450 1.379 -9.448 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.751 1.448 -10.803 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.128 1.159 -9.081 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.768 1.303 -11.761 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.862 1.013 -10.033 1.00 0.00 C ATOM 926 CZ TYR A 65 0.538 1.086 -11.372 1.00 0.00 C ATOM 927 OH TYR A 65 1.522 0.940 -12.323 1.00 0.00 O ATOM 0 H TYR A 65 -4.767 1.898 -7.346 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.870 0.419 -9.657 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.898 2.564 -8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.097 1.375 -7.415 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.772 1.618 -11.112 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.130 1.101 -8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.020 1.359 -12.810 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.885 0.843 -9.731 1.00 0.00 H new ATOM 0 HH TYR A 65 1.186 1.248 -13.191 1.00 0.00 H new ATOM 937 N MET A 66 -3.703 -0.864 -6.644 1.00 0.00 N ATOM 938 CA MET A 66 -3.460 -2.093 -5.900 1.00 0.00 C ATOM 939 C MET A 66 -4.490 -3.159 -6.259 1.00 0.00 C ATOM 940 O MET A 66 -4.164 -4.341 -6.367 1.00 0.00 O ATOM 941 CB MET A 66 -3.496 -1.819 -4.395 1.00 0.00 C ATOM 942 CG MET A 66 -2.127 -1.865 -3.736 1.00 0.00 C ATOM 943 SD MET A 66 -2.208 -1.642 -1.949 1.00 0.00 S ATOM 944 CE MET A 66 -3.174 -0.137 -1.839 1.00 0.00 C ATOM 0 H MET A 66 -4.115 -0.112 -6.093 1.00 0.00 H new ATOM 0 HA MET A 66 -2.471 -2.463 -6.171 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.940 -0.839 -4.223 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.146 -2.552 -3.916 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.653 -2.821 -3.958 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.495 -1.089 -4.167 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.708 0.543 -1.126 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.219 0.339 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.184 -0.376 -1.505 1.00 0.00 H new ATOM 954 N LYS A 67 -5.736 -2.734 -6.443 1.00 0.00 N ATOM 955 CA LYS A 67 -6.814 -3.651 -6.790 1.00 0.00 C ATOM 956 C LYS A 67 -6.646 -4.175 -8.213 1.00 0.00 C ATOM 957 O LYS A 67 -6.966 -5.328 -8.502 1.00 0.00 O ATOM 958 CB LYS A 67 -8.169 -2.953 -6.650 1.00 0.00 C ATOM 959 CG LYS A 67 -8.464 -1.967 -7.766 1.00 0.00 C ATOM 960 CD LYS A 67 -9.819 -1.305 -7.582 1.00 0.00 C ATOM 961 CE LYS A 67 -10.956 -2.289 -7.809 1.00 0.00 C ATOM 962 NZ LYS A 67 -11.390 -2.938 -6.542 1.00 0.00 N ATOM 0 H LYS A 67 -6.023 -1.759 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.774 -4.496 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.956 -3.707 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.201 -2.428 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.686 -1.204 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.438 -2.484 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.890 -0.892 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.915 -0.470 -8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.802 -1.769 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.638 -3.053 -8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.459 -3.966 -6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.696 -2.738 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.319 -2.564 -6.261 1.00 0.00 H new ATOM 976 N ARG A 68 -6.138 -3.321 -9.097 1.00 0.00 N ATOM 977 CA ARG A 68 -5.926 -3.699 -10.489 1.00 0.00 C ATOM 978 C ARG A 68 -4.636 -4.498 -10.644 1.00 0.00 C ATOM 979 O ARG A 68 -4.481 -5.270 -11.593 1.00 0.00 O ATOM 980 CB ARG A 68 -5.878 -2.454 -11.376 1.00 0.00 C ATOM 981 CG ARG A 68 -4.569 -1.687 -11.278 1.00 0.00 C ATOM 982 CD ARG A 68 -4.576 -0.458 -12.172 1.00 0.00 C ATOM 983 NE ARG A 68 -5.690 0.435 -11.868 1.00 0.00 N ATOM 984 CZ ARG A 68 -6.051 1.451 -12.644 1.00 0.00 C ATOM 985 NH1 ARG A 68 -5.390 1.701 -13.765 1.00 0.00 N ATOM 986 NH2 ARG A 68 -7.077 2.220 -12.299 1.00 0.00 N ATOM 0 H ARG A 68 -5.866 -2.364 -8.874 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.761 -4.326 -10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.039 -2.750 -12.413 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.699 -1.791 -11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.399 -1.386 -10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.742 -2.339 -11.560 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.636 0.082 -12.053 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.635 -0.769 -13.215 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.220 0.270 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.602 1.113 -14.034 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.670 2.482 -14.359 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.589 2.031 -11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.353 3.000 -12.896 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.712 -4.309 -9.709 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.434 -5.012 -9.742 1.00 0.00 C ATOM 1002 C LEU A 69 -2.579 -6.429 -9.198 1.00 0.00 C ATOM 1003 O LEU A 69 -2.239 -7.401 -9.872 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.387 -4.245 -8.932 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.633 -3.145 -9.681 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.266 -2.373 -8.728 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.181 -3.739 -10.822 1.00 0.00 C ATOM 0 H LEU A 69 -3.824 -3.675 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.107 -5.073 -10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.881 -3.797 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.659 -4.960 -8.547 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.361 -2.453 -10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.795 -1.594 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.340 -1.917 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.988 -3.054 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.711 -2.942 -11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.901 -4.453 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.486 -4.248 -11.518 1.00 0.00 H new ATOM 1019 N MET A 70 -3.084 -6.539 -7.974 1.00 0.00 N ATOM 1020 CA MET A 70 -3.277 -7.838 -7.340 1.00 0.00 C ATOM 1021 C MET A 70 -4.135 -8.748 -8.213 1.00 0.00 C ATOM 1022 O MET A 70 -4.043 -9.972 -8.128 1.00 0.00 O ATOM 1023 CB MET A 70 -3.928 -7.668 -5.966 1.00 0.00 C ATOM 1024 CG MET A 70 -2.928 -7.435 -4.845 1.00 0.00 C ATOM 1025 SD MET A 70 -3.313 -5.971 -3.865 1.00 0.00 S ATOM 1026 CE MET A 70 -1.712 -5.616 -3.144 1.00 0.00 C ATOM 0 H MET A 70 -3.367 -5.744 -7.401 1.00 0.00 H new ATOM 0 HA MET A 70 -2.298 -8.301 -7.215 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.622 -6.828 -6.003 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.516 -8.557 -5.739 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.908 -8.309 -4.194 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.930 -7.331 -5.270 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.719 -4.613 -2.717 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.497 -6.342 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.944 -5.677 -3.915 1.00 0.00 H new ATOM 1036 N GLN A 71 -4.970 -8.140 -9.051 1.00 0.00 N ATOM 1037 CA GLN A 71 -5.845 -8.896 -9.938 1.00 0.00 C ATOM 1038 C GLN A 71 -5.035 -9.791 -10.871 1.00 0.00 C ATOM 1039 O GLN A 71 -5.400 -10.939 -11.117 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.721 -7.946 -10.757 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.064 -7.647 -10.112 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.799 -6.510 -10.793 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.355 -5.995 -11.819 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -9.931 -6.111 -10.224 1.00 0.00 N ATOM 0 H GLN A 71 -5.058 -7.127 -9.133 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.484 -9.529 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.184 -7.010 -10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.889 -8.380 -11.743 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.684 -8.543 -10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.911 -7.398 -9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.262 -6.566 -9.374 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.469 -5.349 -10.638 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.933 -9.255 -11.386 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.070 -10.005 -12.292 1.00 0.00 C ATOM 1055 C GLN A 72 -2.574 -11.288 -11.633 1.00 0.00 C ATOM 1056 O GLN A 72 -2.245 -12.260 -12.314 1.00 0.00 O ATOM 1057 CB GLN A 72 -1.881 -9.147 -12.725 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.767 -9.085 -11.692 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.069 -7.740 -11.667 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.369 -6.856 -12.471 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.869 -7.576 -10.742 1.00 0.00 N ATOM 0 H GLN A 72 -3.617 -8.305 -11.192 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.655 -10.273 -13.172 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.479 -9.543 -13.658 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.230 -8.135 -12.932 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.180 -9.294 -10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.036 -9.865 -11.904 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.086 -8.335 -10.096 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.373 -6.691 -10.678 1.00 0.00 H new ATOM 1070 N SER A 73 -2.522 -11.285 -10.305 1.00 0.00 N ATOM 1071 CA SER A 73 -2.062 -12.447 -9.555 1.00 0.00 C ATOM 1072 C SER A 73 -3.235 -13.343 -9.167 1.00 0.00 C ATOM 1073 O SER A 73 -4.367 -12.880 -9.036 1.00 0.00 O ATOM 1074 CB SER A 73 -1.308 -12.005 -8.300 1.00 0.00 C ATOM 1075 OG SER A 73 -0.363 -10.992 -8.602 1.00 0.00 O ATOM 0 H SER A 73 -2.793 -10.490 -9.726 1.00 0.00 H new ATOM 0 HA SER A 73 -1.387 -13.017 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.016 -11.636 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.799 -12.861 -7.857 1.00 0.00 H new ATOM 0 HG SER A 73 0.104 -10.726 -7.783 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.953 -14.630 -8.984 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.983 -15.592 -8.610 1.00 0.00 C ATOM 1083 C VAL A 74 -3.824 -16.031 -7.159 1.00 0.00 C ATOM 1084 O VAL A 74 -4.759 -16.553 -6.553 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.947 -16.834 -9.519 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -2.772 -17.730 -9.152 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -5.258 -17.598 -9.429 1.00 0.00 C ATOM 0 H VAL A 74 -2.020 -15.030 -9.089 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.943 -15.091 -8.731 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.815 -16.505 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.762 -18.603 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.841 -17.176 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.871 -18.053 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.215 -18.473 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.423 -17.917 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.078 -16.952 -9.744 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.633 -15.816 -6.609 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.353 -16.190 -5.228 1.00 0.00 C ATOM 1099 C GLU A 75 -3.417 -15.635 -4.286 1.00 0.00 C ATOM 1100 O GLU A 75 -3.653 -14.428 -4.243 1.00 0.00 O ATOM 1101 CB GLU A 75 -0.970 -15.684 -4.809 1.00 0.00 C ATOM 1102 CG GLU A 75 0.152 -16.154 -5.720 1.00 0.00 C ATOM 1103 CD GLU A 75 0.743 -17.479 -5.279 1.00 0.00 C ATOM 1104 OE1 GLU A 75 0.050 -18.510 -5.402 1.00 0.00 O ATOM 1105 OE2 GLU A 75 1.900 -17.484 -4.809 1.00 0.00 O ATOM 0 H GLU A 75 -1.848 -15.386 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.369 -17.278 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.981 -14.594 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.764 -16.016 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.227 -16.250 -6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.938 -15.399 -5.742 1.00 0.00 H new ATOM 1112 N SER A 76 -4.054 -16.524 -3.533 1.00 0.00 N ATOM 1113 CA SER A 76 -5.097 -16.125 -2.594 1.00 0.00 C ATOM 1114 C SER A 76 -4.568 -15.091 -1.604 1.00 0.00 C ATOM 1115 O SER A 76 -5.326 -14.281 -1.070 1.00 0.00 O ATOM 1116 CB SER A 76 -5.628 -17.345 -1.840 1.00 0.00 C ATOM 1117 OG SER A 76 -6.324 -18.220 -2.711 1.00 0.00 O ATOM 0 H SER A 76 -3.867 -17.526 -3.554 1.00 0.00 H new ATOM 0 HA SER A 76 -5.912 -15.676 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.799 -17.876 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.292 -17.021 -1.039 1.00 0.00 H new ATOM 0 HG SER A 76 -6.652 -18.993 -2.205 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.261 -15.126 -1.363 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.630 -14.193 -0.437 1.00 0.00 C ATOM 1125 C VAL A 77 -2.729 -12.760 -0.948 1.00 0.00 C ATOM 1126 O VAL A 77 -2.950 -11.828 -0.175 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.147 -14.543 -0.211 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.393 -14.550 -1.531 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.513 -13.569 0.769 1.00 0.00 C ATOM 0 H VAL A 77 -2.619 -15.790 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.164 -14.277 0.509 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.089 -15.543 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.653 -14.799 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.833 -15.291 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.457 -13.564 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.535 -13.832 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.581 -12.557 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.038 -13.620 1.723 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.566 -12.592 -2.256 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.639 -11.272 -2.872 1.00 0.00 C ATOM 1141 C TRP A 78 -4.084 -10.800 -2.979 1.00 0.00 C ATOM 1142 O TRP A 78 -4.398 -9.654 -2.660 1.00 0.00 O ATOM 1143 CB TRP A 78 -1.993 -11.297 -4.258 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.505 -11.118 -4.222 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.439 -12.028 -4.605 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.209 -9.958 -3.779 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.697 -11.503 -4.426 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.583 -10.234 -3.922 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.179 -8.712 -3.278 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.566 -9.311 -3.579 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.799 -7.798 -2.939 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.158 -8.100 -3.091 1.00 0.00 C ATOM 0 H TRP A 78 -2.383 -13.353 -2.910 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.095 -10.572 -2.238 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.226 -12.245 -4.743 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.432 -10.509 -4.870 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.228 -13.014 -4.991 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.574 -11.981 -4.635 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.224 -8.469 -3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.615 -9.543 -3.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.511 -6.833 -2.550 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.898 -7.363 -2.818 1.00 0.00 H new ATOM 1163 N ASN A 79 -4.961 -11.691 -3.431 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.375 -11.364 -3.582 1.00 0.00 C ATOM 1165 C ASN A 79 -7.011 -11.066 -2.228 1.00 0.00 C ATOM 1166 O ASN A 79 -7.769 -10.108 -2.084 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.116 -12.515 -4.264 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.693 -12.700 -5.709 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.183 -12.010 -6.604 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.779 -13.634 -5.942 1.00 0.00 N ATOM 0 H ASN A 79 -4.718 -12.645 -3.699 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.452 -10.472 -4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.933 -13.438 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.189 -12.327 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.455 -13.804 -6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.401 -14.182 -5.169 1.00 0.00 H new ATOM 1177 N MET A 80 -6.696 -11.896 -1.237 1.00 0.00 N ATOM 1178 CA MET A 80 -7.236 -11.719 0.106 1.00 0.00 C ATOM 1179 C MET A 80 -6.632 -10.492 0.779 1.00 0.00 C ATOM 1180 O MET A 80 -7.317 -9.765 1.498 1.00 0.00 O ATOM 1181 CB MET A 80 -6.967 -12.965 0.954 1.00 0.00 C ATOM 1182 CG MET A 80 -7.756 -14.185 0.509 1.00 0.00 C ATOM 1183 SD MET A 80 -9.441 -14.194 1.151 1.00 0.00 S ATOM 1184 CE MET A 80 -10.380 -14.325 -0.369 1.00 0.00 C ATOM 0 H MET A 80 -6.071 -12.696 -1.339 1.00 0.00 H new ATOM 0 HA MET A 80 -8.312 -11.570 0.021 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.903 -13.197 0.916 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.209 -12.746 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.786 -14.216 -0.580 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.241 -15.087 0.839 1.00 0.00 H new ATOM 0 HE1 MET A 80 -11.445 -14.342 -0.138 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.161 -13.469 -1.007 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.106 -15.244 -0.888 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.343 -10.265 0.540 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.648 -9.124 1.122 1.00 0.00 C ATOM 1196 C ALA A 81 -5.385 -7.823 0.826 1.00 0.00 C ATOM 1197 O ALA A 81 -5.643 -7.025 1.727 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.220 -9.054 0.599 1.00 0.00 C ATOM 0 H ALA A 81 -4.760 -10.857 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.622 -9.258 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.712 -8.197 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.690 -9.968 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.235 -8.947 -0.486 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.722 -7.613 -0.442 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.429 -6.407 -0.857 1.00 0.00 C ATOM 1206 C PHE A 82 -7.679 -6.190 -0.009 1.00 0.00 C ATOM 1207 O PHE A 82 -7.945 -5.079 0.450 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.811 -6.497 -2.335 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.724 -5.393 -2.788 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -7.385 -4.066 -2.574 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.920 -5.682 -3.425 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -8.223 -3.049 -2.988 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.760 -4.668 -3.842 1.00 0.00 C ATOM 1214 CZ PHE A 82 -9.413 -3.349 -3.622 1.00 0.00 C ATOM 0 H PHE A 82 -5.517 -8.263 -1.201 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.762 -5.557 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.903 -6.477 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.295 -7.456 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.456 -3.825 -2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.198 -6.711 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.948 -2.019 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.688 -4.906 -4.340 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.070 -2.555 -3.945 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.441 -7.260 0.195 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.663 -7.188 0.988 1.00 0.00 C ATOM 1226 C ASP A 83 -9.389 -6.561 2.351 1.00 0.00 C ATOM 1227 O ASP A 83 -10.140 -5.702 2.813 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.263 -8.583 1.165 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.708 -8.538 1.624 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.601 -8.408 0.762 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -11.944 -8.632 2.847 1.00 0.00 O ATOM 0 H ASP A 83 -8.234 -8.187 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.377 -6.559 0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.201 -9.124 0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.671 -9.140 1.891 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.309 -6.996 2.992 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.937 -6.479 4.303 1.00 0.00 C ATOM 1238 C PHE A 84 -7.375 -5.065 4.191 1.00 0.00 C ATOM 1239 O PHE A 84 -7.825 -4.150 4.881 1.00 0.00 O ATOM 1240 CB PHE A 84 -6.908 -7.398 4.964 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.586 -7.017 6.381 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.409 -7.411 7.423 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.460 -6.262 6.670 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -7.115 -7.063 8.728 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -5.161 -5.910 7.972 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.990 -6.310 9.002 1.00 0.00 C ATOM 0 H PHE A 84 -7.676 -7.706 2.624 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.834 -6.446 4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.283 -8.421 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.991 -7.386 4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.291 -7.997 7.213 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.809 -5.945 5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.764 -7.379 9.532 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.280 -5.323 8.184 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.759 -6.034 10.020 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.387 -4.895 3.318 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.763 -3.594 3.115 1.00 0.00 C ATOM 1258 C ILE A 85 -6.810 -2.516 2.855 1.00 0.00 C ATOM 1259 O ILE A 85 -6.882 -1.518 3.573 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.770 -3.622 1.940 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.670 -4.654 2.198 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -4.167 -2.242 1.720 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.015 -5.169 0.934 1.00 0.00 C ATOM 0 H ILE A 85 -6.002 -5.642 2.740 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.222 -3.359 4.031 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.308 -3.909 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.908 -4.208 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.094 -5.495 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.467 -2.280 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.961 -1.530 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.641 -1.927 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.246 -5.896 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.766 -5.644 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.561 -4.338 0.395 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.623 -2.726 1.826 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.670 -1.774 1.471 1.00 0.00 C ATOM 1277 C LEU A 86 -9.663 -1.603 2.617 1.00 0.00 C ATOM 1278 O LEU A 86 -10.233 -0.528 2.802 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.403 -2.238 0.211 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.509 -3.273 0.420 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.843 -2.586 0.665 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.599 -4.206 -0.778 1.00 0.00 C ATOM 0 H LEU A 86 -7.578 -3.547 1.223 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.199 -0.810 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.838 -1.364 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.669 -2.654 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.263 -3.867 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.618 -3.338 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.772 -1.960 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.097 -1.967 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.391 -4.936 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.821 -3.627 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.649 -4.725 -0.907 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.862 -2.670 3.382 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.783 -2.638 4.513 1.00 0.00 C ATOM 1296 C ASP A 87 -10.226 -1.781 5.645 1.00 0.00 C ATOM 1297 O ASP A 87 -10.978 -1.157 6.392 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.055 -4.057 5.017 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.788 -4.068 6.344 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.835 -3.395 6.450 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.315 -4.751 7.276 1.00 0.00 O ATOM 0 H ASP A 87 -9.399 -3.568 3.240 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.719 -2.195 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.644 -4.597 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.110 -4.590 5.123 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.902 -1.756 5.764 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.243 -0.977 6.805 1.00 0.00 C ATOM 1308 C ASN A 88 -8.259 0.510 6.464 1.00 0.00 C ATOM 1309 O ASN A 88 -8.539 1.351 7.317 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.802 -1.454 6.994 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.712 -2.696 7.859 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.878 -2.780 8.761 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.575 -3.669 7.588 1.00 0.00 N ATOM 0 H ASN A 88 -8.265 -2.266 5.152 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.791 -1.124 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.360 -1.661 6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.215 -0.656 7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.563 -4.529 8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.249 -3.556 6.831 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.955 0.827 5.209 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.934 2.211 4.753 1.00 0.00 C ATOM 1322 C VAL A 89 -9.347 2.773 4.640 1.00 0.00 C ATOM 1323 O VAL A 89 -9.565 3.971 4.822 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.231 2.343 3.389 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.798 1.840 3.476 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.004 1.591 2.317 1.00 0.00 C ATOM 0 H VAL A 89 -7.720 0.143 4.490 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.377 2.781 5.497 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.205 3.397 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.317 1.941 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.251 2.427 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.798 0.791 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.493 1.695 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.063 0.536 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.010 2.002 2.238 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.303 1.900 4.341 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.695 2.310 4.205 1.00 0.00 C ATOM 1338 C GLN A 90 -12.336 2.527 5.572 1.00 0.00 C ATOM 1339 O GLN A 90 -13.243 3.346 5.721 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.484 1.260 3.419 1.00 0.00 C ATOM 1341 CG GLN A 90 -12.261 1.329 1.918 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.946 2.522 1.281 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -14.087 2.428 0.826 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.253 3.653 1.243 1.00 0.00 N ATOM 0 H GLN A 90 -10.139 0.905 4.188 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.717 3.254 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.206 0.268 3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.547 1.386 3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.191 1.378 1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.631 0.413 1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.311 3.687 1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.663 4.488 0.825 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.858 1.787 6.568 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.383 1.899 7.923 1.00 0.00 C ATOM 1355 C VAL A 91 -11.808 3.118 8.637 1.00 0.00 C ATOM 1356 O VAL A 91 -12.542 3.898 9.243 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.072 0.639 8.752 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.218 0.927 10.238 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.976 -0.511 8.332 1.00 0.00 C ATOM 0 H VAL A 91 -11.108 1.104 6.461 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.464 2.009 7.835 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.039 0.347 8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.994 0.025 10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.525 1.718 10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.239 1.245 10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.743 -1.393 8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.018 -0.231 8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.816 -0.733 7.277 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.491 3.275 8.559 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.815 4.399 9.196 1.00 0.00 C ATOM 1371 C VAL A 92 -10.439 5.725 8.774 1.00 0.00 C ATOM 1372 O VAL A 92 -10.674 6.604 9.603 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.314 4.419 8.856 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.107 4.384 7.349 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.646 5.642 9.465 1.00 0.00 C ATOM 0 H VAL A 92 -9.870 2.637 8.061 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.933 4.270 10.272 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.851 3.530 9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.040 4.399 7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.549 3.475 6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.583 5.253 6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.585 5.640 9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.110 6.545 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.763 5.619 10.548 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.704 5.861 7.480 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.302 7.081 6.945 1.00 0.00 C ATOM 1387 C LEU A 93 -12.783 7.161 7.298 1.00 0.00 C ATOM 1388 O LEU A 93 -13.349 8.250 7.393 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.123 7.137 5.427 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.256 6.534 4.595 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.320 7.582 4.305 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.714 5.947 3.300 1.00 0.00 C ATOM 0 H LEU A 93 -10.515 5.143 6.781 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.794 7.934 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.999 8.180 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.197 6.622 5.171 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.715 5.729 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.118 7.136 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.730 7.954 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.875 8.408 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.535 5.523 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.229 6.732 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.990 5.165 3.530 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.403 6.002 7.494 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.819 5.942 7.837 1.00 0.00 C ATOM 1406 C GLN A 94 -15.064 6.502 9.235 1.00 0.00 C ATOM 1407 O GLN A 94 -16.165 6.951 9.549 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.325 4.501 7.757 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.694 4.300 8.385 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.197 2.877 8.248 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.344 2.645 7.865 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.338 1.913 8.562 1.00 0.00 N ATOM 0 H GLN A 94 -12.947 5.092 7.421 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.367 6.552 7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.366 4.197 6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.608 3.845 8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.647 4.564 9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.407 4.980 7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.397 2.151 8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.620 0.935 8.490 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.029 6.470 10.069 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.133 6.974 11.434 1.00 0.00 C ATOM 1423 C GLN A 95 -14.021 8.495 11.462 1.00 0.00 C ATOM 1424 O GLN A 95 -14.662 9.161 12.276 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.046 6.354 12.313 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.016 4.835 12.262 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.494 4.218 13.545 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.264 3.901 14.453 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.180 4.046 13.628 1.00 0.00 N ATOM 0 H GLN A 95 -13.110 6.101 9.824 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.111 6.693 11.825 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.075 6.739 12.002 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.199 6.672 13.344 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.021 4.462 12.067 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.390 4.516 11.429 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.579 4.323 12.852 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.771 3.637 14.468 1.00 0.00 H new ATOM 1438 N THR A 96 -13.201 9.040 10.569 1.00 0.00 N ATOM 1439 CA THR A 96 -13.004 10.482 10.493 1.00 0.00 C ATOM 1440 C THR A 96 -14.055 11.135 9.602 1.00 0.00 C ATOM 1441 O THR A 96 -14.458 12.275 9.836 1.00 0.00 O ATOM 1442 CB THR A 96 -11.603 10.829 9.954 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.328 12.218 10.167 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.499 10.507 8.472 1.00 0.00 C ATOM 0 H THR A 96 -12.663 8.504 9.888 1.00 0.00 H new ATOM 0 HA THR A 96 -13.102 10.868 11.508 1.00 0.00 H new ATOM 0 HB THR A 96 -10.870 10.227 10.492 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.435 12.431 9.823 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.501 10.760 8.114 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.681 9.444 8.317 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.240 11.086 7.921 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.495 10.406 8.582 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.498 10.915 7.656 1.00 0.00 C ATOM 1454 C TYR A 97 -16.893 10.434 8.044 1.00 0.00 C ATOM 1455 O TYR A 97 -17.815 11.232 8.206 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.174 10.475 6.227 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.058 11.270 5.588 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.281 12.553 5.103 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.780 10.737 5.469 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.265 13.282 4.517 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.757 11.460 4.885 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.004 12.731 4.411 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.989 13.455 3.829 1.00 0.00 O ATOM 0 H TYR A 97 -14.172 9.461 8.376 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.482 12.004 7.706 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.900 9.420 6.234 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.071 10.567 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.266 12.988 5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.583 9.742 5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.456 14.277 4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.769 11.032 4.800 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.340 13.717 4.514 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.038 9.120 8.194 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.322 8.553 8.563 1.00 0.00 C ATOM 1475 C GLY A 98 -18.802 7.513 7.570 1.00 0.00 C ATOM 1476 O GLY A 98 -19.682 6.709 7.881 1.00 0.00 O ATOM 0 H GLY A 98 -16.289 8.439 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.245 8.099 9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.061 9.351 8.635 1.00 0.00 H new ATOM 1480 N SER A 99 -18.225 7.528 6.373 1.00 0.00 N ATOM 1481 CA SER A 99 -18.605 6.581 5.330 1.00 0.00 C ATOM 1482 C SER A 99 -17.370 6.028 4.625 1.00 0.00 C ATOM 1483 O SER A 99 -16.237 6.312 5.015 1.00 0.00 O ATOM 1484 CB SER A 99 -19.529 7.254 4.313 1.00 0.00 C ATOM 1485 OG SER A 99 -18.797 8.097 3.440 1.00 0.00 O ATOM 0 H SER A 99 -17.493 8.185 6.101 1.00 0.00 H new ATOM 0 HA SER A 99 -19.136 5.753 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.054 6.494 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 99 -20.287 7.837 4.836 1.00 0.00 H new ATOM 0 HG SER A 99 -19.409 8.514 2.798 1.00 0.00 H new ATOM 1491 N THR A 100 -17.597 5.233 3.583 1.00 0.00 N ATOM 1492 CA THR A 100 -16.506 4.638 2.824 1.00 0.00 C ATOM 1493 C THR A 100 -16.614 4.984 1.343 1.00 0.00 C ATOM 1494 O THR A 100 -17.657 5.446 0.877 1.00 0.00 O ATOM 1495 CB THR A 100 -16.483 3.107 2.981 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.581 2.523 2.271 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.555 2.713 4.448 1.00 0.00 C ATOM 0 H THR A 100 -18.528 4.987 3.246 1.00 0.00 H new ATOM 0 HA THR A 100 -15.580 5.051 3.224 1.00 0.00 H new ATOM 0 HB THR A 100 -15.546 2.736 2.566 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.557 1.549 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.537 1.627 4.534 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.701 3.133 4.980 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.478 3.096 4.883 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.532 4.756 0.606 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.507 5.043 -0.824 1.00 0.00 C ATOM 1507 C LEU A 101 -16.167 3.919 -1.617 1.00 0.00 C ATOM 1508 O LEU A 101 -16.258 2.785 -1.148 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.065 5.239 -1.298 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.301 6.401 -0.664 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.802 6.198 -0.811 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -13.726 7.722 -1.286 1.00 0.00 C ATOM 0 H LEU A 101 -14.661 4.374 0.975 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.068 5.961 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.513 4.319 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.076 5.384 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.540 6.430 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.275 7.035 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.510 5.272 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.545 6.141 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.172 8.538 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.518 7.704 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.794 7.872 -1.127 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.623 4.242 -2.821 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.273 3.261 -3.682 1.00 0.00 C ATOM 1526 C LYS A 102 -16.244 2.504 -4.517 1.00 0.00 C ATOM 1527 O LYS A 102 -15.479 3.105 -5.272 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.285 3.948 -4.603 1.00 0.00 C ATOM 1529 CG LYS A 102 -19.159 2.978 -5.377 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.982 2.104 -4.447 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.876 1.150 -5.225 1.00 0.00 C ATOM 1532 NZ LYS A 102 -22.142 1.804 -5.659 1.00 0.00 N ATOM 0 H LYS A 102 -16.555 5.177 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.797 2.548 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.922 4.601 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.749 4.583 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.824 3.534 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.533 2.349 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.317 1.534 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.594 2.733 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.340 0.782 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.109 0.284 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -22.723 1.121 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.667 2.133 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.921 2.615 -6.271 1.00 0.00 H new