USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 828 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 57 CYS SG : rot 78:sc= -3.09 USER MOD Set 1.2: A 89 HIS : no HD1:sc= -9.32! C(o=-12!,f=-14!) USER MOD Set 2.1: A 29 TYR OH : rot -76:sc= -0.25 USER MOD Set 2.2: A 97 THR OG1 : rot 110:sc= 0.0846 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-3.8!) USER MOD Single : A 38 SER OG : rot -47:sc= 0.879 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -62:sc= 0.676 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.75) USER MOD Single : A 65 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.32) USER MOD Single : A 67 SER OG : rot -160:sc= -0.419 USER MOD Single : A 69 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 72 SER OG : rot 180:sc= 0.354 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -5.06! C(o=-5.1!,f=-9.9!) USER MOD Single : A 81 THR OG1 : rot 91:sc= 0.766 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -2.99! USER MOD Single : A 90 GLN : amide:sc= -0.0591 K(o=-0.059,f=-1.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.067 6.892 -3.812 1.00 0.00 N ATOM 95 CA SER A 6 -6.148 6.468 -5.200 1.00 0.00 C ATOM 96 C SER A 6 -5.333 5.189 -5.404 1.00 0.00 C ATOM 97 O SER A 6 -4.524 5.105 -6.327 1.00 0.00 O ATOM 98 CB SER A 6 -5.656 7.568 -6.142 1.00 0.00 C ATOM 99 OG SER A 6 -6.725 8.372 -6.630 1.00 0.00 O ATOM 0 HA SER A 6 -7.193 6.267 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.938 8.199 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.130 7.116 -6.983 1.00 0.00 H new ATOM 0 HG SER A 6 -6.369 9.063 -7.226 1.00 0.00 H new ATOM 105 N VAL A 7 -5.574 4.226 -4.528 1.00 0.00 N ATOM 106 CA VAL A 7 -4.872 2.955 -4.600 1.00 0.00 C ATOM 107 C VAL A 7 -5.845 1.820 -4.272 1.00 0.00 C ATOM 108 O VAL A 7 -6.341 1.145 -5.172 1.00 0.00 O ATOM 109 CB VAL A 7 -3.650 2.979 -3.681 1.00 0.00 C ATOM 110 CG1 VAL A 7 -3.247 1.563 -3.266 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.480 3.709 -4.342 1.00 0.00 C ATOM 0 H VAL A 7 -6.246 4.299 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.499 2.782 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.921 3.528 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.376 1.609 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.073 1.090 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.004 0.979 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.624 3.711 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.210 3.201 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.770 4.736 -4.563 1.00 0.00 H new ATOM 121 N LEU A 8 -6.088 1.647 -2.982 1.00 0.00 N ATOM 122 CA LEU A 8 -6.993 0.606 -2.524 1.00 0.00 C ATOM 123 C LEU A 8 -8.340 1.232 -2.157 1.00 0.00 C ATOM 124 O LEU A 8 -8.389 2.338 -1.620 1.00 0.00 O ATOM 125 CB LEU A 8 -6.357 -0.195 -1.386 1.00 0.00 C ATOM 126 CG LEU A 8 -5.687 -1.511 -1.785 1.00 0.00 C ATOM 127 CD1 LEU A 8 -4.744 -1.309 -2.973 1.00 0.00 C ATOM 128 CD2 LEU A 8 -4.975 -2.149 -0.590 1.00 0.00 C ATOM 0 H LEU A 8 -5.674 2.210 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.182 -0.112 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.614 0.434 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.128 -0.412 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.464 -2.205 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.281 -2.260 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.309 -0.932 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.970 -0.590 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.507 -3.083 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.211 -1.468 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.699 -2.351 0.199 1.00 0.00 H new ATOM 140 N SER A 9 -9.400 0.498 -2.462 1.00 0.00 N ATOM 141 CA SER A 9 -10.744 0.966 -2.171 1.00 0.00 C ATOM 142 C SER A 9 -11.015 0.881 -0.668 1.00 0.00 C ATOM 143 O SER A 9 -10.137 0.493 0.104 1.00 0.00 O ATOM 144 CB SER A 9 -11.789 0.160 -2.944 1.00 0.00 C ATOM 145 OG SER A 9 -11.534 0.161 -4.346 1.00 0.00 O ATOM 0 H SER A 9 -9.355 -0.418 -2.908 1.00 0.00 H new ATOM 0 HA SER A 9 -10.818 2.006 -2.489 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.798 -0.867 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.779 0.575 -2.755 1.00 0.00 H new ATOM 0 HG SER A 9 -12.222 -0.366 -4.804 1.00 0.00 H new ATOM 151 N GLY A 10 -12.231 1.252 -0.296 1.00 0.00 N ATOM 152 CA GLY A 10 -12.628 1.221 1.102 1.00 0.00 C ATOM 153 C GLY A 10 -12.490 -0.188 1.681 1.00 0.00 C ATOM 154 O GLY A 10 -11.771 -0.395 2.658 1.00 0.00 O ATOM 0 H GLY A 10 -12.955 1.576 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.012 1.915 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.660 1.558 1.198 1.00 0.00 H new ATOM 158 N GLY A 11 -13.191 -1.121 1.054 1.00 0.00 N ATOM 159 CA GLY A 11 -13.157 -2.506 1.495 1.00 0.00 C ATOM 160 C GLY A 11 -11.750 -3.091 1.354 1.00 0.00 C ATOM 161 O GLY A 11 -11.268 -3.781 2.251 1.00 0.00 O ATOM 0 H GLY A 11 -13.786 -0.946 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.478 -2.569 2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.861 -3.096 0.908 1.00 0.00 H new ATOM 165 N GLU A 12 -11.132 -2.795 0.220 1.00 0.00 N ATOM 166 CA GLU A 12 -9.790 -3.283 -0.050 1.00 0.00 C ATOM 167 C GLU A 12 -8.812 -2.756 1.001 1.00 0.00 C ATOM 168 O GLU A 12 -7.829 -3.420 1.328 1.00 0.00 O ATOM 169 CB GLU A 12 -9.340 -2.898 -1.460 1.00 0.00 C ATOM 170 CG GLU A 12 -9.861 -3.898 -2.495 1.00 0.00 C ATOM 171 CD GLU A 12 -11.375 -4.078 -2.370 1.00 0.00 C ATOM 172 OE1 GLU A 12 -12.072 -3.040 -2.381 1.00 0.00 O ATOM 173 OE2 GLU A 12 -11.801 -5.248 -2.267 1.00 0.00 O ATOM 0 H GLU A 12 -11.536 -2.224 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.802 -4.371 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.702 -1.898 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.251 -2.861 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.614 -3.550 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.365 -4.859 -2.360 1.00 0.00 H new ATOM 180 N LEU A 13 -9.114 -1.567 1.501 1.00 0.00 N ATOM 181 CA LEU A 13 -8.273 -0.942 2.508 1.00 0.00 C ATOM 182 C LEU A 13 -8.500 -1.633 3.855 1.00 0.00 C ATOM 183 O LEU A 13 -7.551 -1.887 4.594 1.00 0.00 O ATOM 184 CB LEU A 13 -8.511 0.568 2.543 1.00 0.00 C ATOM 185 CG LEU A 13 -7.651 1.405 1.593 1.00 0.00 C ATOM 186 CD1 LEU A 13 -8.050 2.881 1.650 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.162 1.202 1.879 1.00 0.00 C ATOM 0 H LEU A 13 -9.930 -1.019 1.227 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.220 -1.069 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.560 0.756 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.340 0.919 3.561 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.833 1.061 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.424 3.454 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.095 2.987 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.915 3.255 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.573 1.808 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.944 1.503 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.906 0.151 1.747 1.00 0.00 H new ATOM 199 N ASP A 14 -9.764 -1.916 4.132 1.00 0.00 N ATOM 200 CA ASP A 14 -10.129 -2.571 5.377 1.00 0.00 C ATOM 201 C ASP A 14 -9.442 -3.937 5.449 1.00 0.00 C ATOM 202 O ASP A 14 -9.015 -4.365 6.521 1.00 0.00 O ATOM 203 CB ASP A 14 -11.640 -2.796 5.459 1.00 0.00 C ATOM 204 CG ASP A 14 -12.228 -2.727 6.869 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.648 -1.983 7.690 1.00 0.00 O ATOM 206 OD2 ASP A 14 -13.244 -3.420 7.096 1.00 0.00 O ATOM 0 H ASP A 14 -10.549 -1.704 3.516 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.816 -1.930 6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.137 -2.051 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.870 -3.772 5.033 1.00 0.00 H new ATOM 211 N LYS A 15 -9.357 -4.583 4.295 1.00 0.00 N ATOM 212 CA LYS A 15 -8.731 -5.890 4.214 1.00 0.00 C ATOM 213 C LYS A 15 -7.210 -5.722 4.189 1.00 0.00 C ATOM 214 O LYS A 15 -6.487 -6.484 4.828 1.00 0.00 O ATOM 215 CB LYS A 15 -9.281 -6.675 3.022 1.00 0.00 C ATOM 216 CG LYS A 15 -9.630 -8.110 3.424 1.00 0.00 C ATOM 217 CD LYS A 15 -11.141 -8.343 3.373 1.00 0.00 C ATOM 218 CE LYS A 15 -11.631 -9.043 4.642 1.00 0.00 C ATOM 219 NZ LYS A 15 -13.042 -8.689 4.918 1.00 0.00 N ATOM 0 H LYS A 15 -9.712 -4.224 3.408 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.973 -6.483 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.169 -6.177 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.544 -6.688 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.128 -8.810 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.262 -8.309 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.656 -7.389 3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.390 -8.947 2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.536 -10.123 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.006 -8.756 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.359 -9.173 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.123 -7.660 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.637 -8.985 4.118 1.00 0.00 H new ATOM 233 N TRP A 16 -6.770 -4.718 3.444 1.00 0.00 N ATOM 234 CA TRP A 16 -5.348 -4.440 3.327 1.00 0.00 C ATOM 235 C TRP A 16 -4.794 -4.214 4.735 1.00 0.00 C ATOM 236 O TRP A 16 -3.628 -4.502 5.000 1.00 0.00 O ATOM 237 CB TRP A 16 -5.097 -3.258 2.388 1.00 0.00 C ATOM 238 CG TRP A 16 -3.954 -2.343 2.832 1.00 0.00 C ATOM 239 CD1 TRP A 16 -4.002 -1.329 3.707 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.583 -2.399 2.385 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.768 -0.731 3.856 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.878 -1.402 3.026 1.00 0.00 C ATOM 243 CE3 TRP A 16 -1.960 -3.265 1.469 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.511 -1.176 2.820 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.595 -3.025 1.274 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.130 -2.026 1.912 1.00 0.00 C ATOM 0 H TRP A 16 -7.373 -4.087 2.916 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.824 -5.284 2.878 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.877 -3.640 1.391 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -6.011 -2.669 2.309 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.895 -1.019 4.230 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.549 0.058 4.464 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.492 -4.053 0.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.020 -0.388 3.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.068 -3.661 0.578 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.184 -1.906 1.708 1.00 0.00 H new ATOM 257 N GLU A 17 -5.656 -3.698 5.600 1.00 0.00 N ATOM 258 CA GLU A 17 -5.267 -3.430 6.973 1.00 0.00 C ATOM 259 C GLU A 17 -5.554 -4.647 7.854 1.00 0.00 C ATOM 260 O GLU A 17 -5.831 -4.505 9.044 1.00 0.00 O ATOM 261 CB GLU A 17 -5.974 -2.184 7.511 1.00 0.00 C ATOM 262 CG GLU A 17 -7.476 -2.431 7.665 1.00 0.00 C ATOM 263 CD GLU A 17 -8.125 -1.346 8.527 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.957 -0.161 8.169 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.773 -1.727 9.526 1.00 0.00 O ATOM 0 H GLU A 17 -6.622 -3.459 5.376 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.195 -3.236 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.547 -1.906 8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.807 -1.346 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.948 -2.450 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.643 -3.408 8.118 1.00 0.00 H new ATOM 272 N LYS A 18 -5.480 -5.816 7.236 1.00 0.00 N ATOM 273 CA LYS A 18 -5.729 -7.058 7.949 1.00 0.00 C ATOM 274 C LYS A 18 -4.465 -7.919 7.922 1.00 0.00 C ATOM 275 O LYS A 18 -4.417 -8.976 8.549 1.00 0.00 O ATOM 276 CB LYS A 18 -6.965 -7.760 7.384 1.00 0.00 C ATOM 277 CG LYS A 18 -7.618 -8.653 8.440 1.00 0.00 C ATOM 278 CD LYS A 18 -8.739 -7.911 9.170 1.00 0.00 C ATOM 279 CE LYS A 18 -8.313 -7.534 10.590 1.00 0.00 C ATOM 280 NZ LYS A 18 -9.441 -7.710 11.533 1.00 0.00 N ATOM 0 H LYS A 18 -5.251 -5.930 6.249 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.955 -6.858 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.683 -7.017 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.683 -8.360 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.019 -9.549 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.867 -8.981 9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.006 -7.011 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.630 -8.538 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.472 -8.154 10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.972 -6.499 10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.135 -7.450 12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.233 -7.100 11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.748 -8.704 11.525 1.00 0.00 H new ATOM 294 N ILE A 19 -3.473 -7.435 7.189 1.00 0.00 N ATOM 295 CA ILE A 19 -2.212 -8.147 7.072 1.00 0.00 C ATOM 296 C ILE A 19 -1.294 -7.742 8.227 1.00 0.00 C ATOM 297 O ILE A 19 -1.226 -6.568 8.589 1.00 0.00 O ATOM 298 CB ILE A 19 -1.597 -7.924 5.689 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.618 -8.198 4.584 1.00 0.00 C ATOM 300 CG2 ILE A 19 -0.325 -8.757 5.514 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.163 -6.892 4.003 1.00 0.00 C ATOM 0 H ILE A 19 -3.517 -6.558 6.670 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.372 -9.222 7.154 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.309 -6.876 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.153 -8.786 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.439 -8.793 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.092 -8.580 4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.405 -8.470 6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.565 -9.815 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.887 -7.116 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.649 -6.318 4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.342 -6.310 3.583 1.00 0.00 H new ATOM 313 N ARG A 20 -0.608 -8.736 8.772 1.00 0.00 N ATOM 314 CA ARG A 20 0.304 -8.498 9.879 1.00 0.00 C ATOM 315 C ARG A 20 1.677 -8.077 9.352 1.00 0.00 C ATOM 316 O ARG A 20 2.071 -8.464 8.253 1.00 0.00 O ATOM 317 CB ARG A 20 0.458 -9.749 10.744 1.00 0.00 C ATOM 318 CG ARG A 20 -0.726 -9.904 11.701 1.00 0.00 C ATOM 319 CD ARG A 20 -0.250 -10.288 13.103 1.00 0.00 C ATOM 320 NE ARG A 20 -1.218 -9.810 14.116 1.00 0.00 N ATOM 321 CZ ARG A 20 -2.308 -10.493 14.494 1.00 0.00 C ATOM 322 NH1 ARG A 20 -2.574 -11.687 13.948 1.00 0.00 N ATOM 323 NH2 ARG A 20 -3.131 -9.981 15.420 1.00 0.00 N ATOM 0 H ARG A 20 -0.665 -9.708 8.468 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.116 -7.699 10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.532 -10.630 10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.385 -9.689 11.314 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.286 -8.970 11.746 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.407 -10.666 11.323 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.141 -11.370 13.175 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.732 -9.855 13.294 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.045 -8.905 14.553 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.947 -12.077 13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.403 -12.206 14.236 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.928 -9.072 15.836 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.960 -10.500 15.708 1.00 0.00 H new ATOM 337 N LEU A 21 2.369 -7.290 10.162 1.00 0.00 N ATOM 338 CA LEU A 21 3.691 -6.812 9.792 1.00 0.00 C ATOM 339 C LEU A 21 4.727 -7.893 10.110 1.00 0.00 C ATOM 340 O LEU A 21 5.661 -8.108 9.340 1.00 0.00 O ATOM 341 CB LEU A 21 3.981 -5.467 10.460 1.00 0.00 C ATOM 342 CG LEU A 21 2.943 -4.366 10.231 1.00 0.00 C ATOM 343 CD1 LEU A 21 3.265 -3.126 11.067 1.00 0.00 C ATOM 344 CD2 LEU A 21 2.814 -4.036 8.743 1.00 0.00 C ATOM 0 H LEU A 21 2.040 -6.971 11.073 1.00 0.00 H new ATOM 0 HA LEU A 21 3.742 -6.626 8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.077 -5.630 11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.947 -5.108 10.104 1.00 0.00 H new ATOM 0 HG LEU A 21 1.973 -4.736 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.512 -2.359 10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.266 -3.390 12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.247 -2.744 10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.070 -3.251 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.776 -3.694 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.504 -4.928 8.198 1.00 0.00 H new ATOM 356 N ARG A 22 4.526 -8.543 11.247 1.00 0.00 N ATOM 357 CA ARG A 22 5.431 -9.596 11.676 1.00 0.00 C ATOM 358 C ARG A 22 4.641 -10.843 12.078 1.00 0.00 C ATOM 359 O ARG A 22 3.490 -10.745 12.501 1.00 0.00 O ATOM 360 CB ARG A 22 6.286 -9.139 12.860 1.00 0.00 C ATOM 361 CG ARG A 22 7.411 -8.211 12.397 1.00 0.00 C ATOM 362 CD ARG A 22 7.610 -7.058 13.381 1.00 0.00 C ATOM 363 NE ARG A 22 8.653 -6.136 12.877 1.00 0.00 N ATOM 364 CZ ARG A 22 8.496 -5.332 11.817 1.00 0.00 C ATOM 365 NH1 ARG A 22 7.339 -5.332 11.142 1.00 0.00 N ATOM 366 NH2 ARG A 22 9.497 -4.530 11.431 1.00 0.00 N ATOM 0 H ARG A 22 3.750 -8.361 11.884 1.00 0.00 H new ATOM 0 HA ARG A 22 6.087 -9.831 10.838 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.660 -8.623 13.588 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.710 -10.008 13.364 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.338 -8.777 12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.177 -7.814 11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.672 -6.520 13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.899 -7.448 14.357 1.00 0.00 H new ATOM 0 HE ARG A 22 9.547 -6.111 13.368 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.578 -5.944 11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.219 -4.720 10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.379 -4.532 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.378 -3.918 10.624 1.00 0.00 H new ATOM 380 N PRO A 23 5.308 -12.019 11.928 1.00 0.00 N ATOM 381 CA PRO A 23 4.680 -13.284 12.272 1.00 0.00 C ATOM 382 C PRO A 23 4.620 -13.472 13.789 1.00 0.00 C ATOM 383 O PRO A 23 3.653 -14.026 14.311 1.00 0.00 O ATOM 384 CB PRO A 23 5.522 -14.342 11.575 1.00 0.00 C ATOM 385 CG PRO A 23 6.849 -13.674 11.255 1.00 0.00 C ATOM 386 CD PRO A 23 6.671 -12.174 11.431 1.00 0.00 C ATOM 0 HA PRO A 23 3.641 -13.341 11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.667 -15.211 12.217 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.033 -14.694 10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.632 -14.045 11.916 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.156 -13.905 10.235 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.398 -11.769 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.811 -11.645 10.488 1.00 0.00 H new ATOM 394 N GLY A 24 5.663 -13.001 14.454 1.00 0.00 N ATOM 395 CA GLY A 24 5.741 -13.110 15.901 1.00 0.00 C ATOM 396 C GLY A 24 5.360 -11.789 16.572 1.00 0.00 C ATOM 397 O GLY A 24 5.360 -11.689 17.798 1.00 0.00 O ATOM 0 H GLY A 24 6.463 -12.542 14.018 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.076 -13.902 16.246 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.752 -13.392 16.194 1.00 0.00 H new ATOM 401 N GLY A 25 5.045 -10.808 15.738 1.00 0.00 N ATOM 402 CA GLY A 25 4.664 -9.497 16.236 1.00 0.00 C ATOM 403 C GLY A 25 3.141 -9.367 16.326 1.00 0.00 C ATOM 404 O GLY A 25 2.419 -10.347 16.147 1.00 0.00 O ATOM 0 H GLY A 25 5.046 -10.895 14.722 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.105 -9.335 17.219 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.060 -8.724 15.577 1.00 0.00 H new ATOM 408 N LYS A 26 2.699 -8.150 16.604 1.00 0.00 N ATOM 409 CA LYS A 26 1.277 -7.878 16.720 1.00 0.00 C ATOM 410 C LYS A 26 0.953 -6.564 16.007 1.00 0.00 C ATOM 411 O LYS A 26 0.252 -5.714 16.553 1.00 0.00 O ATOM 412 CB LYS A 26 0.845 -7.904 18.187 1.00 0.00 C ATOM 413 CG LYS A 26 0.497 -9.326 18.632 1.00 0.00 C ATOM 414 CD LYS A 26 0.994 -9.593 20.054 1.00 0.00 C ATOM 415 CE LYS A 26 -0.161 -9.555 21.055 1.00 0.00 C ATOM 416 NZ LYS A 26 -0.244 -8.226 21.702 1.00 0.00 N ATOM 0 H LYS A 26 3.301 -7.340 16.752 1.00 0.00 H new ATOM 0 HA LYS A 26 0.698 -8.659 16.227 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.646 -7.509 18.812 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.019 -7.254 18.327 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.582 -9.471 18.587 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.944 -10.045 17.946 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.484 -10.566 20.095 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.741 -8.848 20.328 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.099 -9.777 20.546 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.019 -10.326 21.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.034 -8.218 22.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.645 -8.029 22.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.401 -7.496 20.978 1.00 0.00 H new ATOM 430 N LYS A 27 1.478 -6.440 14.797 1.00 0.00 N ATOM 431 CA LYS A 27 1.252 -5.243 14.002 1.00 0.00 C ATOM 432 C LYS A 27 0.633 -5.637 12.660 1.00 0.00 C ATOM 433 O LYS A 27 0.712 -6.795 12.252 1.00 0.00 O ATOM 434 CB LYS A 27 2.545 -4.437 13.871 1.00 0.00 C ATOM 435 CG LYS A 27 2.273 -2.937 13.999 1.00 0.00 C ATOM 436 CD LYS A 27 2.149 -2.527 15.468 1.00 0.00 C ATOM 437 CE LYS A 27 3.513 -2.144 16.047 1.00 0.00 C ATOM 438 NZ LYS A 27 3.370 -1.039 17.022 1.00 0.00 N ATOM 0 H LYS A 27 2.059 -7.148 14.347 1.00 0.00 H new ATOM 0 HA LYS A 27 0.541 -4.583 14.499 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.251 -4.749 14.640 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.011 -4.645 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.080 -2.376 13.528 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.356 -2.683 13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.462 -1.685 15.558 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.723 -3.349 16.044 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.965 -3.009 16.532 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.185 -1.843 15.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.304 -0.791 17.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.959 -0.209 16.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.746 -1.339 17.798 1.00 0.00 H new ATOM 452 N GLN A 28 0.030 -4.652 12.011 1.00 0.00 N ATOM 453 CA GLN A 28 -0.602 -4.880 10.723 1.00 0.00 C ATOM 454 C GLN A 28 -0.475 -3.636 9.842 1.00 0.00 C ATOM 455 O GLN A 28 0.055 -2.615 10.275 1.00 0.00 O ATOM 456 CB GLN A 28 -2.067 -5.283 10.896 1.00 0.00 C ATOM 457 CG GLN A 28 -2.832 -4.236 11.709 1.00 0.00 C ATOM 458 CD GLN A 28 -3.390 -4.844 12.998 1.00 0.00 C ATOM 459 OE1 GLN A 28 -3.956 -5.924 13.011 1.00 0.00 O ATOM 460 NE2 GLN A 28 -3.199 -4.090 14.077 1.00 0.00 N ATOM 0 H GLN A 28 -0.034 -3.693 12.354 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.089 -5.705 10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.533 -5.401 9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.125 -6.250 11.395 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.171 -3.404 11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.648 -3.831 11.111 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.717 -3.195 13.995 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.535 -4.407 14.987 1.00 0.00 H new ATOM 469 N TYR A 29 -0.971 -3.764 8.620 1.00 0.00 N ATOM 470 CA TYR A 29 -0.921 -2.662 7.673 1.00 0.00 C ATOM 471 C TYR A 29 -1.975 -1.605 8.005 1.00 0.00 C ATOM 472 O TYR A 29 -2.779 -1.790 8.917 1.00 0.00 O ATOM 473 CB TYR A 29 -1.237 -3.268 6.304 1.00 0.00 C ATOM 474 CG TYR A 29 -0.035 -3.923 5.620 1.00 0.00 C ATOM 475 CD1 TYR A 29 0.930 -4.553 6.377 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.084 -3.882 4.245 1.00 0.00 C ATOM 477 CE1 TYR A 29 2.062 -5.169 5.733 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.215 -4.497 3.601 1.00 0.00 C ATOM 479 CZ TYR A 29 2.148 -5.110 4.377 1.00 0.00 C ATOM 480 OH TYR A 29 3.217 -5.692 3.769 1.00 0.00 O ATOM 0 H TYR A 29 -1.409 -4.613 8.264 1.00 0.00 H new ATOM 0 HA TYR A 29 0.055 -2.177 7.701 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.025 -4.012 6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.630 -2.486 5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.837 -4.585 7.453 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.672 -3.388 3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.825 -5.666 6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.320 -4.472 2.526 1.00 0.00 H new ATOM 0 HH TYR A 29 4.008 -5.124 3.884 1.00 0.00 H new ATOM 490 N LYS A 30 -1.936 -0.519 7.248 1.00 0.00 N ATOM 491 CA LYS A 30 -2.879 0.569 7.450 1.00 0.00 C ATOM 492 C LYS A 30 -2.512 1.734 6.529 1.00 0.00 C ATOM 493 O LYS A 30 -1.485 1.696 5.852 1.00 0.00 O ATOM 494 CB LYS A 30 -2.944 0.952 8.929 1.00 0.00 C ATOM 495 CG LYS A 30 -4.349 0.729 9.491 1.00 0.00 C ATOM 496 CD LYS A 30 -4.289 0.242 10.941 1.00 0.00 C ATOM 497 CE LYS A 30 -3.821 1.359 11.876 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.983 2.080 12.444 1.00 0.00 N ATOM 0 H LYS A 30 -1.266 -0.368 6.493 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.887 0.255 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.224 0.360 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.661 1.998 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.917 1.658 9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.877 -0.003 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.273 -0.108 11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.610 -0.607 11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.217 0.939 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.185 2.056 11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.648 2.835 13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.543 2.497 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.575 1.415 12.982 1.00 0.00 H new ATOM 512 N LEU A 31 -3.372 2.742 6.531 1.00 0.00 N ATOM 513 CA LEU A 31 -3.151 3.916 5.704 1.00 0.00 C ATOM 514 C LEU A 31 -1.772 4.501 6.013 1.00 0.00 C ATOM 515 O LEU A 31 -1.167 5.158 5.166 1.00 0.00 O ATOM 516 CB LEU A 31 -4.296 4.916 5.876 1.00 0.00 C ATOM 517 CG LEU A 31 -4.738 5.654 4.611 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.588 6.478 4.027 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.325 4.683 3.586 1.00 0.00 C ATOM 0 H LEU A 31 -4.223 2.770 7.092 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.152 3.644 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.157 4.386 6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.997 5.656 6.619 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.530 6.352 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.929 6.993 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.256 7.212 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.759 5.817 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.631 5.234 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.573 3.943 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.190 4.179 4.016 1.00 0.00 H new ATOM 531 N LYS A 32 -1.314 4.241 7.229 1.00 0.00 N ATOM 532 CA LYS A 32 -0.017 4.734 7.661 1.00 0.00 C ATOM 533 C LYS A 32 1.077 4.107 6.793 1.00 0.00 C ATOM 534 O LYS A 32 1.988 4.799 6.341 1.00 0.00 O ATOM 535 CB LYS A 32 0.175 4.495 9.160 1.00 0.00 C ATOM 536 CG LYS A 32 0.922 5.661 9.810 1.00 0.00 C ATOM 537 CD LYS A 32 0.137 6.220 11.000 1.00 0.00 C ATOM 538 CE LYS A 32 1.081 6.655 12.122 1.00 0.00 C ATOM 539 NZ LYS A 32 0.747 8.022 12.579 1.00 0.00 N ATOM 0 H LYS A 32 -1.818 3.696 7.928 1.00 0.00 H new ATOM 0 HA LYS A 32 0.045 5.813 7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.796 4.368 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.731 3.570 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.905 5.328 10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.084 6.449 9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.465 7.069 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.553 5.463 11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.008 5.958 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.112 6.625 11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.397 8.302 13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.839 8.686 11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.230 8.040 12.934 1.00 0.00 H new ATOM 553 N HIS A 33 0.951 2.805 6.587 1.00 0.00 N ATOM 554 CA HIS A 33 1.917 2.077 5.782 1.00 0.00 C ATOM 555 C HIS A 33 1.757 2.469 4.312 1.00 0.00 C ATOM 556 O HIS A 33 2.742 2.554 3.578 1.00 0.00 O ATOM 557 CB HIS A 33 1.790 0.570 6.011 1.00 0.00 C ATOM 558 CG HIS A 33 2.299 0.108 7.355 1.00 0.00 C ATOM 559 ND1 HIS A 33 1.461 -0.333 8.364 1.00 0.00 N ATOM 560 CD2 HIS A 33 3.569 0.021 7.845 1.00 0.00 C ATOM 561 CE1 HIS A 33 2.203 -0.666 9.409 1.00 0.00 C ATOM 562 NE2 HIS A 33 3.509 -0.445 9.086 1.00 0.00 N ATOM 0 H HIS A 33 0.194 2.235 6.964 1.00 0.00 H new ATOM 0 HA HIS A 33 2.928 2.347 6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.742 0.285 5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.337 0.046 5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.471 0.286 7.313 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.838 -1.046 10.352 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.308 -0.611 9.698 1.00 0.00 H new ATOM 571 N ILE A 34 0.511 2.697 3.924 1.00 0.00 N ATOM 572 CA ILE A 34 0.210 3.077 2.554 1.00 0.00 C ATOM 573 C ILE A 34 0.804 4.459 2.271 1.00 0.00 C ATOM 574 O ILE A 34 1.272 4.723 1.165 1.00 0.00 O ATOM 575 CB ILE A 34 -1.293 2.989 2.291 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.736 1.535 2.115 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.694 3.859 1.097 1.00 0.00 C ATOM 578 CD1 ILE A 34 -3.244 1.445 1.876 1.00 0.00 C ATOM 0 H ILE A 34 -0.303 2.626 4.535 1.00 0.00 H new ATOM 0 HA ILE A 34 0.673 2.380 1.855 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.815 3.381 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.204 1.088 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.470 0.960 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.768 3.778 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.436 4.898 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.164 3.521 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.531 0.401 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.774 1.870 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.503 2.000 0.974 1.00 0.00 H new ATOM 590 N VAL A 35 0.767 5.304 3.292 1.00 0.00 N ATOM 591 CA VAL A 35 1.295 6.652 3.167 1.00 0.00 C ATOM 592 C VAL A 35 2.820 6.588 3.056 1.00 0.00 C ATOM 593 O VAL A 35 3.411 7.240 2.196 1.00 0.00 O ATOM 594 CB VAL A 35 0.816 7.512 4.337 1.00 0.00 C ATOM 595 CG1 VAL A 35 1.659 8.783 4.464 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.670 7.851 4.196 1.00 0.00 C ATOM 0 H VAL A 35 0.380 5.081 4.209 1.00 0.00 H new ATOM 0 HA VAL A 35 0.922 7.126 2.259 1.00 0.00 H new ATOM 0 HB VAL A 35 0.942 6.933 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.298 9.377 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.701 8.513 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.579 9.366 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.985 8.463 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.831 8.401 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.253 6.930 4.178 1.00 0.00 H new ATOM 606 N TRP A 36 3.413 5.798 3.938 1.00 0.00 N ATOM 607 CA TRP A 36 4.858 5.641 3.950 1.00 0.00 C ATOM 608 C TRP A 36 5.274 4.990 2.630 1.00 0.00 C ATOM 609 O TRP A 36 6.338 5.294 2.091 1.00 0.00 O ATOM 610 CB TRP A 36 5.313 4.849 5.177 1.00 0.00 C ATOM 611 CG TRP A 36 6.663 4.150 5.001 1.00 0.00 C ATOM 612 CD1 TRP A 36 7.887 4.682 5.111 1.00 0.00 C ATOM 613 CD2 TRP A 36 6.875 2.760 4.677 1.00 0.00 C ATOM 614 NE1 TRP A 36 8.870 3.741 4.883 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.235 2.535 4.611 1.00 0.00 C ATOM 616 CE3 TRP A 36 5.950 1.727 4.448 1.00 0.00 C ATOM 617 CZ2 TRP A 36 8.791 1.284 4.315 1.00 0.00 C ATOM 618 CZ3 TRP A 36 6.521 0.483 4.155 1.00 0.00 C ATOM 619 CH2 TRP A 36 7.888 0.240 4.084 1.00 0.00 C ATOM 0 H TRP A 36 2.920 5.259 4.650 1.00 0.00 H new ATOM 0 HA TRP A 36 5.351 6.610 4.030 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.374 5.524 6.031 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.557 4.101 5.415 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.080 5.718 5.348 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.877 3.901 4.909 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.882 1.881 4.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.859 1.133 4.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.853 -0.346 3.971 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.252 -0.750 3.852 1.00 0.00 H new ATOM 630 N ALA A 37 4.413 4.106 2.146 1.00 0.00 N ATOM 631 CA ALA A 37 4.679 3.409 0.898 1.00 0.00 C ATOM 632 C ALA A 37 4.665 4.414 -0.255 1.00 0.00 C ATOM 633 O ALA A 37 5.619 4.488 -1.029 1.00 0.00 O ATOM 634 CB ALA A 37 3.651 2.292 0.710 1.00 0.00 C ATOM 0 H ALA A 37 3.532 3.857 2.595 1.00 0.00 H new ATOM 0 HA ALA A 37 5.665 2.945 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.849 1.769 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.721 1.590 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.649 2.721 0.681 1.00 0.00 H new ATOM 640 N SER A 38 3.575 5.163 -0.332 1.00 0.00 N ATOM 641 CA SER A 38 3.426 6.160 -1.378 1.00 0.00 C ATOM 642 C SER A 38 4.591 7.151 -1.328 1.00 0.00 C ATOM 643 O SER A 38 5.097 7.574 -2.366 1.00 0.00 O ATOM 644 CB SER A 38 2.094 6.901 -1.246 1.00 0.00 C ATOM 645 OG SER A 38 2.146 7.922 -0.252 1.00 0.00 O ATOM 0 H SER A 38 2.787 5.099 0.313 1.00 0.00 H new ATOM 0 HA SER A 38 3.434 5.649 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.829 7.343 -2.206 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.307 6.190 -0.994 1.00 0.00 H new ATOM 0 HG SER A 38 2.557 7.565 0.563 1.00 0.00 H new ATOM 651 N ARG A 39 4.984 7.491 -0.109 1.00 0.00 N ATOM 652 CA ARG A 39 6.080 8.424 0.091 1.00 0.00 C ATOM 653 C ARG A 39 7.379 7.846 -0.477 1.00 0.00 C ATOM 654 O ARG A 39 8.145 8.554 -1.127 1.00 0.00 O ATOM 655 CB ARG A 39 6.275 8.736 1.576 1.00 0.00 C ATOM 656 CG ARG A 39 7.092 10.015 1.765 1.00 0.00 C ATOM 657 CD ARG A 39 6.556 10.840 2.938 1.00 0.00 C ATOM 658 NE ARG A 39 7.466 10.720 4.098 1.00 0.00 N ATOM 659 CZ ARG A 39 7.233 11.273 5.295 1.00 0.00 C ATOM 660 NH1 ARG A 39 6.117 11.988 5.498 1.00 0.00 N ATOM 661 NH2 ARG A 39 8.114 11.112 6.292 1.00 0.00 N ATOM 0 H ARG A 39 4.563 7.137 0.750 1.00 0.00 H new ATOM 0 HA ARG A 39 5.829 9.347 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.304 8.846 2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.780 7.902 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.137 9.760 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.059 10.610 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.463 11.886 2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.559 10.495 3.210 1.00 0.00 H new ATOM 0 HE ARG A 39 8.325 10.182 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.445 12.111 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.940 12.409 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.963 10.568 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.935 11.534 7.203 1.00 0.00 H new ATOM 675 N GLU A 40 7.586 6.565 -0.208 1.00 0.00 N ATOM 676 CA GLU A 40 8.777 5.884 -0.683 1.00 0.00 C ATOM 677 C GLU A 40 8.799 5.856 -2.213 1.00 0.00 C ATOM 678 O GLU A 40 9.833 6.116 -2.827 1.00 0.00 O ATOM 679 CB GLU A 40 8.867 4.469 -0.108 1.00 0.00 C ATOM 680 CG GLU A 40 10.324 4.038 0.064 1.00 0.00 C ATOM 681 CD GLU A 40 11.011 4.854 1.161 1.00 0.00 C ATOM 682 OE1 GLU A 40 11.422 5.992 0.848 1.00 0.00 O ATOM 683 OE2 GLU A 40 11.111 4.320 2.287 1.00 0.00 O ATOM 0 H GLU A 40 6.948 5.981 0.333 1.00 0.00 H new ATOM 0 HA GLU A 40 9.650 6.438 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.357 4.431 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.353 3.771 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.366 2.978 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.858 4.165 -0.878 1.00 0.00 H new ATOM 690 N LEU A 41 7.646 5.540 -2.784 1.00 0.00 N ATOM 691 CA LEU A 41 7.519 5.475 -4.230 1.00 0.00 C ATOM 692 C LEU A 41 7.805 6.856 -4.825 1.00 0.00 C ATOM 693 O LEU A 41 8.616 6.986 -5.741 1.00 0.00 O ATOM 694 CB LEU A 41 6.154 4.907 -4.623 1.00 0.00 C ATOM 695 CG LEU A 41 6.024 3.383 -4.578 1.00 0.00 C ATOM 696 CD1 LEU A 41 5.273 2.935 -3.323 1.00 0.00 C ATOM 697 CD2 LEU A 41 5.375 2.850 -5.856 1.00 0.00 C ATOM 0 H LEU A 41 6.791 5.326 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 41 8.256 4.789 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.400 5.336 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.920 5.242 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 41 7.025 2.956 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.194 1.848 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.815 3.266 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.274 3.371 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.295 1.765 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.380 3.282 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.987 3.123 -6.716 1.00 0.00 H new ATOM 709 N GLU A 42 7.124 7.853 -4.279 1.00 0.00 N ATOM 710 CA GLU A 42 7.294 9.219 -4.744 1.00 0.00 C ATOM 711 C GLU A 42 8.769 9.619 -4.684 1.00 0.00 C ATOM 712 O GLU A 42 9.262 10.323 -5.565 1.00 0.00 O ATOM 713 CB GLU A 42 6.430 10.186 -3.933 1.00 0.00 C ATOM 714 CG GLU A 42 6.582 11.619 -4.446 1.00 0.00 C ATOM 715 CD GLU A 42 5.853 12.608 -3.534 1.00 0.00 C ATOM 716 OE1 GLU A 42 5.852 12.357 -2.309 1.00 0.00 O ATOM 717 OE2 GLU A 42 5.313 13.594 -4.082 1.00 0.00 O ATOM 0 H GLU A 42 6.453 7.742 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 42 6.964 9.273 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.385 9.883 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.715 10.140 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.639 11.880 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.184 11.691 -5.458 1.00 0.00 H new ATOM 724 N ARG A 43 9.434 9.156 -3.635 1.00 0.00 N ATOM 725 CA ARG A 43 10.843 9.458 -3.448 1.00 0.00 C ATOM 726 C ARG A 43 11.697 8.609 -4.393 1.00 0.00 C ATOM 727 O ARG A 43 12.810 8.996 -4.746 1.00 0.00 O ATOM 728 CB ARG A 43 11.276 9.193 -2.005 1.00 0.00 C ATOM 729 CG ARG A 43 12.397 10.146 -1.586 1.00 0.00 C ATOM 730 CD ARG A 43 13.766 9.589 -1.981 1.00 0.00 C ATOM 731 NE ARG A 43 14.790 10.019 -1.002 1.00 0.00 N ATOM 732 CZ ARG A 43 16.073 9.635 -1.038 1.00 0.00 C ATOM 733 NH1 ARG A 43 16.497 8.809 -2.004 1.00 0.00 N ATOM 734 NH2 ARG A 43 16.931 10.076 -0.108 1.00 0.00 N ATOM 0 H ARG A 43 9.023 8.574 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 43 10.988 10.515 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.423 9.313 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.615 8.162 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.247 11.118 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.362 10.303 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.726 8.501 -2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.035 9.937 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 43 14.500 10.647 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.843 8.473 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.474 8.516 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.607 10.704 0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.908 9.783 -0.136 1.00 0.00 H new ATOM 748 N PHE A 44 11.143 7.468 -4.776 1.00 0.00 N ATOM 749 CA PHE A 44 11.840 6.562 -5.673 1.00 0.00 C ATOM 750 C PHE A 44 11.610 6.953 -7.134 1.00 0.00 C ATOM 751 O PHE A 44 12.183 6.348 -8.040 1.00 0.00 O ATOM 752 CB PHE A 44 11.264 5.164 -5.434 1.00 0.00 C ATOM 753 CG PHE A 44 12.057 4.328 -4.428 1.00 0.00 C ATOM 754 CD1 PHE A 44 13.401 4.179 -4.577 1.00 0.00 C ATOM 755 CD2 PHE A 44 11.418 3.733 -3.386 1.00 0.00 C ATOM 756 CE1 PHE A 44 14.137 3.403 -3.643 1.00 0.00 C ATOM 757 CE2 PHE A 44 12.154 2.957 -2.452 1.00 0.00 C ATOM 758 CZ PHE A 44 13.498 2.808 -2.600 1.00 0.00 C ATOM 0 H PHE A 44 10.220 7.150 -4.482 1.00 0.00 H new ATOM 0 HA PHE A 44 12.912 6.598 -5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.237 5.261 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.226 4.631 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.908 4.651 -5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.351 3.850 -3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 44 15.204 3.285 -3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.647 2.485 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.058 2.217 -1.890 1.00 0.00 H new ATOM 768 N ALA A 45 10.770 7.961 -7.320 1.00 0.00 N ATOM 769 CA ALA A 45 10.458 8.439 -8.655 1.00 0.00 C ATOM 770 C ALA A 45 9.412 7.520 -9.289 1.00 0.00 C ATOM 771 O ALA A 45 9.527 7.159 -10.460 1.00 0.00 O ATOM 772 CB ALA A 45 11.743 8.520 -9.483 1.00 0.00 C ATOM 0 H ALA A 45 10.296 8.460 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 45 10.034 9.442 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.508 8.879 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.441 9.208 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.196 7.531 -9.549 1.00 0.00 H new ATOM 778 N VAL A 46 8.418 7.167 -8.489 1.00 0.00 N ATOM 779 CA VAL A 46 7.352 6.297 -8.958 1.00 0.00 C ATOM 780 C VAL A 46 6.003 6.980 -8.728 1.00 0.00 C ATOM 781 O VAL A 46 5.815 7.669 -7.726 1.00 0.00 O ATOM 782 CB VAL A 46 7.455 4.931 -8.277 1.00 0.00 C ATOM 783 CG1 VAL A 46 6.583 3.896 -8.989 1.00 0.00 C ATOM 784 CG2 VAL A 46 8.910 4.463 -8.201 1.00 0.00 C ATOM 0 H VAL A 46 8.327 7.467 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 46 7.447 6.120 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 46 7.084 5.037 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.675 2.934 -8.485 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.542 4.220 -8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.909 3.795 -10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.954 3.490 -7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.319 4.382 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.494 5.183 -7.628 1.00 0.00 H new ATOM 794 N ASN A 47 5.099 6.765 -9.672 1.00 0.00 N ATOM 795 CA ASN A 47 3.772 7.352 -9.584 1.00 0.00 C ATOM 796 C ASN A 47 2.941 6.572 -8.564 1.00 0.00 C ATOM 797 O ASN A 47 2.873 5.345 -8.621 1.00 0.00 O ATOM 798 CB ASN A 47 3.051 7.286 -10.933 1.00 0.00 C ATOM 799 CG ASN A 47 3.227 8.590 -11.713 1.00 0.00 C ATOM 800 OD1 ASN A 47 4.097 8.725 -12.559 1.00 0.00 O ATOM 801 ND2 ASN A 47 2.357 9.540 -11.384 1.00 0.00 N ATOM 0 H ASN A 47 5.259 6.193 -10.501 1.00 0.00 H new ATOM 0 HA ASN A 47 3.882 8.394 -9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.441 6.453 -11.518 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.990 7.094 -10.773 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.393 10.447 -11.849 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.654 9.361 -10.667 1.00 0.00 H new ATOM 808 N PRO A 48 2.312 7.336 -7.631 1.00 0.00 N ATOM 809 CA PRO A 48 1.487 6.729 -6.600 1.00 0.00 C ATOM 810 C PRO A 48 0.147 6.265 -7.172 1.00 0.00 C ATOM 811 O PRO A 48 -0.380 5.231 -6.766 1.00 0.00 O ATOM 812 CB PRO A 48 1.338 7.803 -5.534 1.00 0.00 C ATOM 813 CG PRO A 48 1.690 9.116 -6.213 1.00 0.00 C ATOM 814 CD PRO A 48 2.370 8.791 -7.533 1.00 0.00 C ATOM 0 HA PRO A 48 1.934 5.828 -6.180 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.321 7.826 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.000 7.610 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.792 9.711 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.350 9.708 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.857 9.265 -8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.400 9.148 -7.547 1.00 0.00 H new ATOM 822 N GLY A 49 -0.366 7.051 -8.107 1.00 0.00 N ATOM 823 CA GLY A 49 -1.635 6.734 -8.739 1.00 0.00 C ATOM 824 C GLY A 49 -1.522 5.468 -9.590 1.00 0.00 C ATOM 825 O GLY A 49 -2.527 4.826 -9.893 1.00 0.00 O ATOM 0 H GLY A 49 0.075 7.908 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.401 6.596 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.953 7.569 -9.363 1.00 0.00 H new ATOM 829 N LEU A 50 -0.289 5.144 -9.952 1.00 0.00 N ATOM 830 CA LEU A 50 -0.031 3.965 -10.761 1.00 0.00 C ATOM 831 C LEU A 50 -0.275 2.711 -9.921 1.00 0.00 C ATOM 832 O LEU A 50 -0.354 1.606 -10.456 1.00 0.00 O ATOM 833 CB LEU A 50 1.370 4.032 -11.374 1.00 0.00 C ATOM 834 CG LEU A 50 2.456 3.233 -10.652 1.00 0.00 C ATOM 835 CD1 LEU A 50 2.352 1.743 -10.982 1.00 0.00 C ATOM 836 CD2 LEU A 50 3.846 3.793 -10.962 1.00 0.00 C ATOM 0 H LEU A 50 0.543 5.678 -9.700 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.721 3.923 -11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.312 3.680 -12.404 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.679 5.077 -11.411 1.00 0.00 H new ATOM 0 HG LEU A 50 2.299 3.336 -9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.136 1.198 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.377 1.368 -10.670 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.469 1.599 -12.056 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.600 3.207 -10.436 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.029 3.740 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.901 4.831 -10.635 1.00 0.00 H new ATOM 848 N LEU A 51 -0.387 2.923 -8.618 1.00 0.00 N ATOM 849 CA LEU A 51 -0.621 1.824 -7.698 1.00 0.00 C ATOM 850 C LEU A 51 -2.119 1.516 -7.647 1.00 0.00 C ATOM 851 O LEU A 51 -2.542 0.585 -6.962 1.00 0.00 O ATOM 852 CB LEU A 51 -0.009 2.130 -6.329 1.00 0.00 C ATOM 853 CG LEU A 51 1.509 1.968 -6.221 1.00 0.00 C ATOM 854 CD1 LEU A 51 2.002 2.351 -4.825 1.00 0.00 C ATOM 855 CD2 LEU A 51 1.937 0.552 -6.612 1.00 0.00 C ATOM 0 H LEU A 51 -0.320 3.841 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.122 0.921 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.265 3.155 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.477 1.480 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 51 1.978 2.653 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.084 2.227 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.746 3.391 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.528 1.709 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.020 0.463 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.460 -0.169 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.636 0.352 -7.640 1.00 0.00 H new ATOM 867 N GLU A 52 -2.880 2.316 -8.379 1.00 0.00 N ATOM 868 CA GLU A 52 -4.322 2.141 -8.426 1.00 0.00 C ATOM 869 C GLU A 52 -4.684 0.961 -9.330 1.00 0.00 C ATOM 870 O GLU A 52 -5.853 0.590 -9.432 1.00 0.00 O ATOM 871 CB GLU A 52 -5.014 3.423 -8.893 1.00 0.00 C ATOM 872 CG GLU A 52 -6.523 3.353 -8.646 1.00 0.00 C ATOM 873 CD GLU A 52 -7.146 4.750 -8.655 1.00 0.00 C ATOM 874 OE1 GLU A 52 -7.268 5.310 -9.766 1.00 0.00 O ATOM 875 OE2 GLU A 52 -7.487 5.227 -7.551 1.00 0.00 O ATOM 0 H GLU A 52 -2.525 3.087 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.676 1.923 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.595 4.280 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.822 3.578 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.992 2.737 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.716 2.871 -7.688 1.00 0.00 H new ATOM 882 N THR A 53 -3.661 0.405 -9.962 1.00 0.00 N ATOM 883 CA THR A 53 -3.858 -0.725 -10.854 1.00 0.00 C ATOM 884 C THR A 53 -2.969 -1.897 -10.433 1.00 0.00 C ATOM 885 O THR A 53 -1.791 -1.710 -10.129 1.00 0.00 O ATOM 886 CB THR A 53 -3.598 -0.248 -12.285 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.178 -0.176 -12.375 1.00 0.00 O ATOM 888 CG2 THR A 53 -4.061 1.192 -12.515 1.00 0.00 C ATOM 0 H THR A 53 -2.693 0.716 -9.874 1.00 0.00 H new ATOM 0 HA THR A 53 -4.881 -1.098 -10.801 1.00 0.00 H new ATOM 0 HB THR A 53 -4.108 -0.909 -12.986 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.842 0.481 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.853 1.481 -13.545 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.132 1.264 -12.327 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.528 1.858 -11.837 1.00 0.00 H new ATOM 896 N SER A 54 -3.566 -3.079 -10.429 1.00 0.00 N ATOM 897 CA SER A 54 -2.843 -4.282 -10.051 1.00 0.00 C ATOM 898 C SER A 54 -1.612 -4.454 -10.944 1.00 0.00 C ATOM 899 O SER A 54 -0.599 -5.002 -10.510 1.00 0.00 O ATOM 900 CB SER A 54 -3.742 -5.517 -10.142 1.00 0.00 C ATOM 901 OG SER A 54 -3.642 -6.158 -11.410 1.00 0.00 O ATOM 0 H SER A 54 -4.543 -3.230 -10.681 1.00 0.00 H new ATOM 0 HA SER A 54 -2.521 -4.177 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.470 -6.222 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.777 -5.226 -9.964 1.00 0.00 H new ATOM 0 HG SER A 54 -4.229 -6.942 -11.427 1.00 0.00 H new ATOM 907 N GLU A 55 -1.740 -3.978 -12.173 1.00 0.00 N ATOM 908 CA GLU A 55 -0.650 -4.072 -13.129 1.00 0.00 C ATOM 909 C GLU A 55 0.498 -3.148 -12.720 1.00 0.00 C ATOM 910 O GLU A 55 1.653 -3.568 -12.681 1.00 0.00 O ATOM 911 CB GLU A 55 -1.135 -3.752 -14.545 1.00 0.00 C ATOM 912 CG GLU A 55 -1.639 -5.011 -15.251 1.00 0.00 C ATOM 913 CD GLU A 55 -1.872 -4.749 -16.741 1.00 0.00 C ATOM 914 OE1 GLU A 55 -2.694 -3.856 -17.039 1.00 0.00 O ATOM 915 OE2 GLU A 55 -1.221 -5.447 -17.548 1.00 0.00 O ATOM 0 H GLU A 55 -2.582 -3.526 -12.529 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.280 -5.097 -13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.934 -3.012 -14.501 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.322 -3.309 -15.120 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.914 -5.816 -15.129 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.567 -5.345 -14.787 1.00 0.00 H new ATOM 922 N GLY A 56 0.140 -1.907 -12.424 1.00 0.00 N ATOM 923 CA GLY A 56 1.126 -0.920 -12.018 1.00 0.00 C ATOM 924 C GLY A 56 1.902 -1.395 -10.788 1.00 0.00 C ATOM 925 O GLY A 56 3.122 -1.253 -10.726 1.00 0.00 O ATOM 0 H GLY A 56 -0.819 -1.563 -12.457 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.818 -0.733 -12.839 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.630 0.025 -11.797 1.00 0.00 H new ATOM 929 N CYS A 57 1.163 -1.949 -9.838 1.00 0.00 N ATOM 930 CA CYS A 57 1.767 -2.445 -8.613 1.00 0.00 C ATOM 931 C CYS A 57 2.662 -3.635 -8.966 1.00 0.00 C ATOM 932 O CYS A 57 3.752 -3.781 -8.416 1.00 0.00 O ATOM 933 CB CYS A 57 0.709 -2.816 -7.572 1.00 0.00 C ATOM 934 SG CYS A 57 -0.597 -1.536 -7.523 1.00 0.00 S ATOM 0 H CYS A 57 0.151 -2.065 -9.892 1.00 0.00 H new ATOM 0 HA CYS A 57 2.371 -1.660 -8.158 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.272 -3.784 -7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.172 -2.913 -6.590 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.406 -1.703 -8.527 1.00 0.00 H new ATOM 940 N ARG A 58 2.168 -4.455 -9.882 1.00 0.00 N ATOM 941 CA ARG A 58 2.910 -5.626 -10.315 1.00 0.00 C ATOM 942 C ARG A 58 4.234 -5.210 -10.958 1.00 0.00 C ATOM 943 O ARG A 58 5.271 -5.820 -10.703 1.00 0.00 O ATOM 944 CB ARG A 58 2.101 -6.451 -11.319 1.00 0.00 C ATOM 945 CG ARG A 58 2.766 -7.803 -11.582 1.00 0.00 C ATOM 946 CD ARG A 58 3.270 -8.427 -10.279 1.00 0.00 C ATOM 947 NE ARG A 58 3.689 -9.827 -10.518 1.00 0.00 N ATOM 948 CZ ARG A 58 4.778 -10.176 -11.215 1.00 0.00 C ATOM 949 NH1 ARG A 58 5.565 -9.231 -11.748 1.00 0.00 N ATOM 950 NH2 ARG A 58 5.081 -11.472 -11.381 1.00 0.00 N ATOM 0 H ARG A 58 1.263 -4.331 -10.336 1.00 0.00 H new ATOM 0 HA ARG A 58 3.107 -6.237 -9.434 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.092 -6.607 -10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.007 -5.900 -12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.054 -8.476 -12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.598 -7.675 -12.274 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.108 -7.849 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.484 -8.397 -9.524 1.00 0.00 H new ATOM 0 HE ARG A 58 3.112 -10.572 -10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.335 -8.245 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.394 -9.498 -12.279 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.482 -12.192 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.910 -11.738 -11.912 1.00 0.00 H new ATOM 964 N GLN A 59 4.156 -4.173 -11.779 1.00 0.00 N ATOM 965 CA GLN A 59 5.335 -3.667 -12.461 1.00 0.00 C ATOM 966 C GLN A 59 6.361 -3.165 -11.443 1.00 0.00 C ATOM 967 O GLN A 59 7.541 -3.499 -11.530 1.00 0.00 O ATOM 968 CB GLN A 59 4.964 -2.565 -13.455 1.00 0.00 C ATOM 969 CG GLN A 59 5.621 -2.809 -14.814 1.00 0.00 C ATOM 970 CD GLN A 59 4.641 -2.525 -15.956 1.00 0.00 C ATOM 971 OE1 GLN A 59 4.719 -1.519 -16.640 1.00 0.00 O ATOM 972 NE2 GLN A 59 3.718 -3.468 -16.121 1.00 0.00 N ATOM 0 H GLN A 59 3.294 -3.669 -11.987 1.00 0.00 H new ATOM 0 HA GLN A 59 5.782 -4.484 -13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.881 -2.526 -13.572 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.278 -1.597 -13.064 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.499 -2.172 -14.917 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.967 -3.841 -14.875 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.710 -4.286 -15.512 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.018 -3.373 -16.857 1.00 0.00 H new ATOM 981 N ILE A 60 5.873 -2.370 -10.502 1.00 0.00 N ATOM 982 CA ILE A 60 6.733 -1.818 -9.469 1.00 0.00 C ATOM 983 C ILE A 60 7.380 -2.962 -8.685 1.00 0.00 C ATOM 984 O ILE A 60 8.592 -2.970 -8.478 1.00 0.00 O ATOM 985 CB ILE A 60 5.955 -0.835 -8.593 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.419 0.334 -9.422 1.00 0.00 C ATOM 987 CG2 ILE A 60 6.806 -0.358 -7.413 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.120 0.881 -8.826 1.00 0.00 C ATOM 0 H ILE A 60 4.893 -2.095 -10.433 1.00 0.00 H new ATOM 0 HA ILE A 60 7.542 -1.240 -9.916 1.00 0.00 H new ATOM 0 HB ILE A 60 5.093 -1.357 -8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.166 1.127 -9.464 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.243 0.007 -10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.229 0.340 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.096 -1.214 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.700 0.140 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.761 1.711 -9.435 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.368 0.093 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.304 1.230 -7.810 1.00 0.00 H new ATOM 1000 N LEU A 61 6.541 -3.901 -8.270 1.00 0.00 N ATOM 1001 CA LEU A 61 7.016 -5.046 -7.513 1.00 0.00 C ATOM 1002 C LEU A 61 8.108 -5.762 -8.311 1.00 0.00 C ATOM 1003 O LEU A 61 9.180 -6.051 -7.781 1.00 0.00 O ATOM 1004 CB LEU A 61 5.846 -5.952 -7.122 1.00 0.00 C ATOM 1005 CG LEU A 61 5.896 -6.538 -5.710 1.00 0.00 C ATOM 1006 CD1 LEU A 61 5.214 -7.908 -5.662 1.00 0.00 C ATOM 1007 CD2 LEU A 61 7.333 -6.595 -5.189 1.00 0.00 C ATOM 0 H LEU A 61 5.536 -3.892 -8.444 1.00 0.00 H new ATOM 0 HA LEU A 61 7.466 -4.722 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.922 -5.384 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.796 -6.775 -7.834 1.00 0.00 H new ATOM 0 HG LEU A 61 5.340 -5.876 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.263 -8.303 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.171 -7.806 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.722 -8.591 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.339 -7.016 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.934 -7.221 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.751 -5.589 -5.164 1.00 0.00 H new ATOM 1019 N GLY A 62 7.798 -6.027 -9.571 1.00 0.00 N ATOM 1020 CA GLY A 62 8.740 -6.704 -10.447 1.00 0.00 C ATOM 1021 C GLY A 62 10.004 -5.866 -10.644 1.00 0.00 C ATOM 1022 O GLY A 62 11.086 -6.410 -10.863 1.00 0.00 O ATOM 0 H GLY A 62 6.908 -5.785 -10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.004 -7.673 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.272 -6.895 -11.413 1.00 0.00 H new ATOM 1026 N GLN A 63 9.827 -4.556 -10.560 1.00 0.00 N ATOM 1027 CA GLN A 63 10.941 -3.638 -10.726 1.00 0.00 C ATOM 1028 C GLN A 63 11.781 -3.585 -9.448 1.00 0.00 C ATOM 1029 O GLN A 63 12.963 -3.249 -9.492 1.00 0.00 O ATOM 1030 CB GLN A 63 10.447 -2.243 -11.116 1.00 0.00 C ATOM 1031 CG GLN A 63 11.202 -1.717 -12.338 1.00 0.00 C ATOM 1032 CD GLN A 63 11.427 -0.206 -12.236 1.00 0.00 C ATOM 1033 OE1 GLN A 63 11.737 0.331 -11.185 1.00 0.00 O ATOM 1034 NE2 GLN A 63 11.255 0.446 -13.382 1.00 0.00 N ATOM 0 H GLN A 63 8.929 -4.108 -10.379 1.00 0.00 H new ATOM 0 HA GLN A 63 11.571 -4.005 -11.536 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.379 -2.278 -11.331 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.581 -1.558 -10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.162 -2.226 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.639 -1.944 -13.243 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.995 -0.065 -14.226 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.383 1.457 -13.417 1.00 0.00 H new ATOM 1043 N LEU A 64 11.136 -3.922 -8.340 1.00 0.00 N ATOM 1044 CA LEU A 64 11.809 -3.918 -7.052 1.00 0.00 C ATOM 1045 C LEU A 64 12.469 -5.279 -6.822 1.00 0.00 C ATOM 1046 O LEU A 64 13.513 -5.365 -6.177 1.00 0.00 O ATOM 1047 CB LEU A 64 10.838 -3.510 -5.942 1.00 0.00 C ATOM 1048 CG LEU A 64 10.499 -2.020 -5.863 1.00 0.00 C ATOM 1049 CD1 LEU A 64 9.147 -1.801 -5.182 1.00 0.00 C ATOM 1050 CD2 LEU A 64 11.620 -1.238 -5.175 1.00 0.00 C ATOM 0 H LEU A 64 10.155 -4.199 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 64 12.604 -3.172 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.911 -4.067 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.260 -3.818 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 64 10.414 -1.635 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.930 -0.734 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.367 -2.307 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.179 -2.206 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.354 -0.182 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.761 -1.618 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.545 -1.356 -5.739 1.00 0.00 H new ATOM 1062 N GLN A 65 11.834 -6.308 -7.362 1.00 0.00 N ATOM 1063 CA GLN A 65 12.346 -7.661 -7.224 1.00 0.00 C ATOM 1064 C GLN A 65 13.875 -7.656 -7.269 1.00 0.00 C ATOM 1065 O GLN A 65 14.528 -8.179 -6.367 1.00 0.00 O ATOM 1066 CB GLN A 65 11.768 -8.580 -8.302 1.00 0.00 C ATOM 1067 CG GLN A 65 11.056 -9.780 -7.677 1.00 0.00 C ATOM 1068 CD GLN A 65 11.936 -11.030 -7.733 1.00 0.00 C ATOM 1069 OE1 GLN A 65 13.110 -11.009 -7.400 1.00 0.00 O ATOM 1070 NE2 GLN A 65 11.306 -12.116 -8.170 1.00 0.00 N ATOM 0 H GLN A 65 10.969 -6.232 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 65 12.031 -8.051 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.069 -8.021 -8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.568 -8.928 -8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.801 -9.557 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.120 -9.966 -8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.322 -12.064 -8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.807 -13.002 -8.243 1.00 0.00 H new ATOM 1079 N PRO A 66 14.416 -7.044 -8.356 1.00 0.00 N ATOM 1080 CA PRO A 66 15.857 -6.965 -8.531 1.00 0.00 C ATOM 1081 C PRO A 66 16.465 -5.918 -7.595 1.00 0.00 C ATOM 1082 O PRO A 66 17.610 -6.054 -7.166 1.00 0.00 O ATOM 1083 CB PRO A 66 16.057 -6.636 -10.001 1.00 0.00 C ATOM 1084 CG PRO A 66 14.727 -6.088 -10.490 1.00 0.00 C ATOM 1085 CD PRO A 66 13.674 -6.414 -9.445 1.00 0.00 C ATOM 0 HA PRO A 66 16.365 -7.894 -8.273 1.00 0.00 H new ATOM 0 HB2 PRO A 66 16.853 -5.903 -10.132 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.344 -7.524 -10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.792 -5.011 -10.643 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.462 -6.531 -11.450 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.161 -5.514 -9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.913 -7.084 -9.845 1.00 0.00 H new ATOM 1093 N SER A 67 15.672 -4.895 -7.309 1.00 0.00 N ATOM 1094 CA SER A 67 16.119 -3.826 -6.432 1.00 0.00 C ATOM 1095 C SER A 67 16.556 -4.402 -5.084 1.00 0.00 C ATOM 1096 O SER A 67 17.623 -4.060 -4.576 1.00 0.00 O ATOM 1097 CB SER A 67 15.017 -2.782 -6.231 1.00 0.00 C ATOM 1098 OG SER A 67 14.646 -2.156 -7.457 1.00 0.00 O ATOM 0 H SER A 67 14.724 -4.784 -7.669 1.00 0.00 H new ATOM 0 HA SER A 67 16.970 -3.332 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.143 -3.258 -5.788 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.359 -2.024 -5.526 1.00 0.00 H new ATOM 0 HG SER A 67 14.196 -1.306 -7.267 1.00 0.00 H new ATOM 1104 N LEU A 68 15.711 -5.266 -4.543 1.00 0.00 N ATOM 1105 CA LEU A 68 15.996 -5.892 -3.264 1.00 0.00 C ATOM 1106 C LEU A 68 17.314 -6.664 -3.363 1.00 0.00 C ATOM 1107 O LEU A 68 18.025 -6.816 -2.369 1.00 0.00 O ATOM 1108 CB LEU A 68 14.813 -6.750 -2.810 1.00 0.00 C ATOM 1109 CG LEU A 68 13.426 -6.133 -3.000 1.00 0.00 C ATOM 1110 CD1 LEU A 68 13.519 -4.615 -3.160 1.00 0.00 C ATOM 1111 CD2 LEU A 68 12.689 -6.789 -4.171 1.00 0.00 C ATOM 0 H LEU A 68 14.827 -5.548 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 68 16.125 -5.136 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.846 -7.695 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.943 -6.984 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 68 12.840 -6.327 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.519 -4.201 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.975 -4.183 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.129 -4.378 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.706 -6.332 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.263 -6.648 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.573 -7.855 -3.977 1.00 0.00 H new ATOM 1123 N GLN A 69 17.600 -7.132 -4.568 1.00 0.00 N ATOM 1124 CA GLN A 69 18.820 -7.884 -4.809 1.00 0.00 C ATOM 1125 C GLN A 69 19.973 -7.303 -3.989 1.00 0.00 C ATOM 1126 O GLN A 69 20.787 -8.046 -3.442 1.00 0.00 O ATOM 1127 CB GLN A 69 19.164 -7.908 -6.300 1.00 0.00 C ATOM 1128 CG GLN A 69 20.226 -8.967 -6.600 1.00 0.00 C ATOM 1129 CD GLN A 69 19.639 -10.376 -6.499 1.00 0.00 C ATOM 1130 OE1 GLN A 69 18.579 -10.674 -7.024 1.00 0.00 O ATOM 1131 NE2 GLN A 69 20.384 -11.224 -5.797 1.00 0.00 N ATOM 0 H GLN A 69 17.008 -7.005 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 69 18.657 -8.914 -4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 69 18.265 -8.114 -6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 69 19.525 -6.927 -6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 69 20.630 -8.809 -7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 69 21.055 -8.864 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 69 21.262 -10.910 -5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 69 20.078 -12.189 -5.672 1.00 0.00 H new ATOM 1140 N THR A 70 20.006 -5.979 -3.928 1.00 0.00 N ATOM 1141 CA THR A 70 21.046 -5.290 -3.184 1.00 0.00 C ATOM 1142 C THR A 70 20.494 -4.006 -2.562 1.00 0.00 C ATOM 1143 O THR A 70 21.221 -3.028 -2.400 1.00 0.00 O ATOM 1144 CB THR A 70 22.223 -5.049 -4.130 1.00 0.00 C ATOM 1145 OG1 THR A 70 21.874 -3.854 -4.822 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.314 -6.106 -5.233 1.00 0.00 C ATOM 0 H THR A 70 19.329 -5.366 -4.382 1.00 0.00 H new ATOM 0 HA THR A 70 21.400 -5.893 -2.348 1.00 0.00 H new ATOM 0 HB THR A 70 23.151 -5.040 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.585 -3.624 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.166 -5.888 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.441 -7.091 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.399 -6.093 -5.826 1.00 0.00 H new ATOM 1154 N GLY A 71 19.212 -4.051 -2.229 1.00 0.00 N ATOM 1155 CA GLY A 71 18.554 -2.904 -1.628 1.00 0.00 C ATOM 1156 C GLY A 71 18.811 -2.851 -0.120 1.00 0.00 C ATOM 1157 O GLY A 71 19.530 -3.690 0.420 1.00 0.00 O ATOM 0 H GLY A 71 18.612 -4.864 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.915 -1.987 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.482 -2.956 -1.816 1.00 0.00 H new ATOM 1161 N SER A 72 18.210 -1.857 0.517 1.00 0.00 N ATOM 1162 CA SER A 72 18.365 -1.684 1.951 1.00 0.00 C ATOM 1163 C SER A 72 17.186 -2.326 2.684 1.00 0.00 C ATOM 1164 O SER A 72 16.198 -2.714 2.062 1.00 0.00 O ATOM 1165 CB SER A 72 18.476 -0.203 2.319 1.00 0.00 C ATOM 1166 OG SER A 72 17.199 0.423 2.404 1.00 0.00 O ATOM 0 H SER A 72 17.614 -1.163 0.066 1.00 0.00 H new ATOM 0 HA SER A 72 19.288 -2.176 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.992 -0.104 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 72 19.083 0.311 1.574 1.00 0.00 H new ATOM 0 HG SER A 72 17.313 1.367 2.642 1.00 0.00 H new ATOM 1172 N GLU A 73 17.328 -2.419 3.999 1.00 0.00 N ATOM 1173 CA GLU A 73 16.288 -3.007 4.825 1.00 0.00 C ATOM 1174 C GLU A 73 14.986 -2.215 4.683 1.00 0.00 C ATOM 1175 O GLU A 73 13.903 -2.798 4.632 1.00 0.00 O ATOM 1176 CB GLU A 73 16.726 -3.083 6.288 1.00 0.00 C ATOM 1177 CG GLU A 73 15.815 -4.018 7.087 1.00 0.00 C ATOM 1178 CD GLU A 73 16.233 -5.479 6.904 1.00 0.00 C ATOM 1179 OE1 GLU A 73 16.022 -5.993 5.784 1.00 0.00 O ATOM 1180 OE2 GLU A 73 16.753 -6.047 7.888 1.00 0.00 O ATOM 0 H GLU A 73 18.148 -2.097 4.512 1.00 0.00 H new ATOM 0 HA GLU A 73 16.111 -4.026 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.755 -3.437 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.707 -2.086 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.854 -3.754 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.782 -3.888 6.764 1.00 0.00 H new ATOM 1187 N GLU A 74 15.135 -0.901 4.623 1.00 0.00 N ATOM 1188 CA GLU A 74 13.984 -0.022 4.487 1.00 0.00 C ATOM 1189 C GLU A 74 13.347 -0.191 3.107 1.00 0.00 C ATOM 1190 O GLU A 74 12.129 -0.324 2.993 1.00 0.00 O ATOM 1191 CB GLU A 74 14.375 1.436 4.737 1.00 0.00 C ATOM 1192 CG GLU A 74 13.647 1.998 5.958 1.00 0.00 C ATOM 1193 CD GLU A 74 14.016 3.464 6.191 1.00 0.00 C ATOM 1194 OE1 GLU A 74 13.785 4.262 5.257 1.00 0.00 O ATOM 1195 OE2 GLU A 74 14.522 3.754 7.297 1.00 0.00 O ATOM 0 H GLU A 74 16.035 -0.422 4.666 1.00 0.00 H new ATOM 0 HA GLU A 74 13.248 -0.300 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.452 1.506 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.136 2.036 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.570 1.909 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.902 1.411 6.840 1.00 0.00 H new ATOM 1202 N LEU A 75 14.199 -0.181 2.092 1.00 0.00 N ATOM 1203 CA LEU A 75 13.734 -0.331 0.723 1.00 0.00 C ATOM 1204 C LEU A 75 13.014 -1.674 0.579 1.00 0.00 C ATOM 1205 O LEU A 75 11.995 -1.765 -0.104 1.00 0.00 O ATOM 1206 CB LEU A 75 14.892 -0.145 -0.259 1.00 0.00 C ATOM 1207 CG LEU A 75 14.595 -0.494 -1.719 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.681 0.058 -2.646 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.403 -2.002 -1.895 1.00 0.00 C ATOM 0 H LEU A 75 15.208 -0.071 2.190 1.00 0.00 H new ATOM 0 HA LEU A 75 13.011 0.447 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.218 0.894 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.729 -0.757 0.077 1.00 0.00 H new ATOM 0 HG LEU A 75 13.657 -0.016 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.446 -0.204 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.726 1.143 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.645 -0.371 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.193 -2.222 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.311 -2.522 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.568 -2.337 -1.279 1.00 0.00 H new ATOM 1221 N ARG A 76 13.572 -2.682 1.233 1.00 0.00 N ATOM 1222 CA ARG A 76 12.996 -4.015 1.185 1.00 0.00 C ATOM 1223 C ARG A 76 11.595 -4.010 1.800 1.00 0.00 C ATOM 1224 O ARG A 76 10.654 -4.549 1.217 1.00 0.00 O ATOM 1225 CB ARG A 76 13.871 -5.021 1.936 1.00 0.00 C ATOM 1226 CG ARG A 76 14.159 -6.249 1.072 1.00 0.00 C ATOM 1227 CD ARG A 76 13.569 -7.513 1.701 1.00 0.00 C ATOM 1228 NE ARG A 76 13.709 -8.655 0.770 1.00 0.00 N ATOM 1229 CZ ARG A 76 13.196 -9.873 0.993 1.00 0.00 C ATOM 1230 NH1 ARG A 76 12.508 -10.115 2.117 1.00 0.00 N ATOM 1231 NH2 ARG A 76 13.372 -10.849 0.092 1.00 0.00 N ATOM 0 H ARG A 76 14.417 -2.602 1.799 1.00 0.00 H new ATOM 0 HA ARG A 76 12.937 -4.313 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.809 -4.547 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.372 -5.328 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.739 -6.104 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.236 -6.368 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.078 -7.734 2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.517 -7.354 1.939 1.00 0.00 H new ATOM 0 HE ARG A 76 14.228 -8.506 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.375 -9.372 2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.118 -11.042 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.896 -10.665 -0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.982 -11.776 0.262 1.00 0.00 H new ATOM 1245 N SER A 77 11.499 -3.395 2.970 1.00 0.00 N ATOM 1246 CA SER A 77 10.228 -3.313 3.670 1.00 0.00 C ATOM 1247 C SER A 77 9.168 -2.691 2.759 1.00 0.00 C ATOM 1248 O SER A 77 8.055 -3.205 2.654 1.00 0.00 O ATOM 1249 CB SER A 77 10.363 -2.500 4.960 1.00 0.00 C ATOM 1250 OG SER A 77 10.201 -3.311 6.121 1.00 0.00 O ATOM 0 H SER A 77 12.280 -2.949 3.451 1.00 0.00 H new ATOM 0 HA SER A 77 9.919 -4.323 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.342 -2.021 4.986 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.618 -1.704 4.967 1.00 0.00 H new ATOM 0 HG SER A 77 10.296 -2.756 6.923 1.00 0.00 H new ATOM 1256 N LEU A 78 9.549 -1.592 2.123 1.00 0.00 N ATOM 1257 CA LEU A 78 8.646 -0.896 1.225 1.00 0.00 C ATOM 1258 C LEU A 78 8.191 -1.854 0.122 1.00 0.00 C ATOM 1259 O LEU A 78 7.002 -1.932 -0.185 1.00 0.00 O ATOM 1260 CB LEU A 78 9.296 0.385 0.697 1.00 0.00 C ATOM 1261 CG LEU A 78 8.832 0.854 -0.683 1.00 0.00 C ATOM 1262 CD1 LEU A 78 9.568 0.101 -1.794 1.00 0.00 C ATOM 1263 CD2 LEU A 78 7.313 0.736 -0.819 1.00 0.00 C ATOM 0 H LEU A 78 10.472 -1.167 2.213 1.00 0.00 H new ATOM 0 HA LEU A 78 7.751 -0.575 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.108 1.185 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.375 0.234 0.663 1.00 0.00 H new ATOM 0 HG LEU A 78 9.084 1.909 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.220 0.453 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.640 0.280 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.370 -0.967 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.009 1.076 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.015 -0.304 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.831 1.352 -0.060 1.00 0.00 H new ATOM 1275 N TYR A 79 9.160 -2.557 -0.444 1.00 0.00 N ATOM 1276 CA TYR A 79 8.874 -3.506 -1.506 1.00 0.00 C ATOM 1277 C TYR A 79 7.866 -4.560 -1.042 1.00 0.00 C ATOM 1278 O TYR A 79 6.949 -4.914 -1.780 1.00 0.00 O ATOM 1279 CB TYR A 79 10.202 -4.194 -1.826 1.00 0.00 C ATOM 1280 CG TYR A 79 10.055 -5.642 -2.299 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.888 -5.915 -3.641 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.090 -6.674 -1.383 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.750 -7.278 -4.086 1.00 0.00 C ATOM 1284 CE2 TYR A 79 9.952 -8.037 -1.828 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.789 -8.272 -3.157 1.00 0.00 C ATOM 1286 OH TYR A 79 9.658 -9.558 -3.577 1.00 0.00 O ATOM 0 H TYR A 79 10.145 -2.488 -0.187 1.00 0.00 H new ATOM 0 HA TYR A 79 8.448 -2.997 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.719 -3.622 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.833 -4.175 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.861 -5.107 -4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.221 -6.460 -0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.619 -7.506 -5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.977 -8.854 -1.122 1.00 0.00 H new ATOM 0 HH TYR A 79 9.706 -10.161 -2.806 1.00 0.00 H new ATOM 1296 N ASN A 80 8.071 -5.032 0.179 1.00 0.00 N ATOM 1297 CA ASN A 80 7.193 -6.038 0.750 1.00 0.00 C ATOM 1298 C ASN A 80 5.763 -5.494 0.798 1.00 0.00 C ATOM 1299 O ASN A 80 4.818 -6.186 0.427 1.00 0.00 O ATOM 1300 CB ASN A 80 7.613 -6.391 2.178 1.00 0.00 C ATOM 1301 CG ASN A 80 9.004 -7.026 2.199 1.00 0.00 C ATOM 1302 OD1 ASN A 80 9.412 -7.719 1.282 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.707 -6.752 3.294 1.00 0.00 N ATOM 0 H ASN A 80 8.833 -4.736 0.789 1.00 0.00 H new ATOM 0 HA ASN A 80 7.253 -6.930 0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.610 -5.492 2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.889 -7.079 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.648 -7.130 3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.305 -6.164 4.024 1.00 0.00 H new ATOM 1310 N THR A 81 5.652 -4.257 1.259 1.00 0.00 N ATOM 1311 CA THR A 81 4.355 -3.610 1.361 1.00 0.00 C ATOM 1312 C THR A 81 3.701 -3.504 -0.019 1.00 0.00 C ATOM 1313 O THR A 81 2.505 -3.746 -0.163 1.00 0.00 O ATOM 1314 CB THR A 81 4.553 -2.256 2.045 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.533 -2.514 3.047 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.319 -1.813 2.836 1.00 0.00 C ATOM 0 H THR A 81 6.439 -3.686 1.566 1.00 0.00 H new ATOM 0 HA THR A 81 3.667 -4.199 1.968 1.00 0.00 H new ATOM 0 HB THR A 81 4.793 -1.502 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.427 -2.358 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.513 -0.847 3.301 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.467 -1.727 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.098 -2.550 3.608 1.00 0.00 H new ATOM 1324 N ILE A 82 4.518 -3.140 -0.998 1.00 0.00 N ATOM 1325 CA ILE A 82 4.035 -2.999 -2.360 1.00 0.00 C ATOM 1326 C ILE A 82 3.507 -4.348 -2.853 1.00 0.00 C ATOM 1327 O ILE A 82 2.452 -4.414 -3.481 1.00 0.00 O ATOM 1328 CB ILE A 82 5.123 -2.400 -3.255 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.185 -0.879 -3.099 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.925 -2.820 -4.713 1.00 0.00 C ATOM 1331 CD1 ILE A 82 4.005 -0.207 -3.805 1.00 0.00 C ATOM 0 H ILE A 82 5.510 -2.939 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 82 3.201 -2.298 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 82 6.087 -2.796 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.177 -0.618 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.122 -0.505 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.711 -2.381 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.970 -3.907 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.953 -2.472 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.073 0.874 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.030 -0.451 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.071 -0.565 -3.373 1.00 0.00 H new ATOM 1343 N ALA A 83 4.266 -5.391 -2.549 1.00 0.00 N ATOM 1344 CA ALA A 83 3.889 -6.734 -2.952 1.00 0.00 C ATOM 1345 C ALA A 83 2.499 -7.057 -2.399 1.00 0.00 C ATOM 1346 O ALA A 83 1.630 -7.530 -3.130 1.00 0.00 O ATOM 1347 CB ALA A 83 4.950 -7.728 -2.476 1.00 0.00 C ATOM 0 H ALA A 83 5.141 -5.332 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 83 3.838 -6.807 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.666 -8.736 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.912 -7.473 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.028 -7.684 -1.390 1.00 0.00 H new ATOM 1353 N VAL A 84 2.332 -6.788 -1.113 1.00 0.00 N ATOM 1354 CA VAL A 84 1.063 -7.043 -0.453 1.00 0.00 C ATOM 1355 C VAL A 84 -0.036 -6.227 -1.136 1.00 0.00 C ATOM 1356 O VAL A 84 -1.164 -6.696 -1.280 1.00 0.00 O ATOM 1357 CB VAL A 84 1.183 -6.749 1.043 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.188 -6.453 1.656 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.873 -7.901 1.776 1.00 0.00 C ATOM 0 H VAL A 84 3.055 -6.396 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 84 0.791 -8.095 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 84 1.802 -5.859 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.074 -6.247 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.627 -5.585 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.841 -7.315 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.945 -7.665 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.293 -8.815 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.873 -8.045 1.368 1.00 0.00 H new ATOM 1369 N LEU A 85 0.332 -5.021 -1.541 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.608 -4.135 -2.206 1.00 0.00 C ATOM 1371 C LEU A 85 -1.133 -4.814 -3.473 1.00 0.00 C ATOM 1372 O LEU A 85 -2.335 -4.817 -3.727 1.00 0.00 O ATOM 1373 CB LEU A 85 0.031 -2.768 -2.459 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.937 -1.590 -2.595 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.515 -1.514 -4.009 1.00 0.00 C ATOM 1376 CD2 LEU A 85 -2.034 -1.657 -1.530 1.00 0.00 C ATOM 0 H LEU A 85 1.269 -4.636 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.470 -3.944 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.720 -2.554 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.627 -2.830 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.379 -0.669 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.199 -0.668 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.705 -1.384 -4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.053 -2.435 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.708 -0.809 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.595 -2.585 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.581 -1.625 -0.539 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.202 -5.371 -4.235 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.555 -6.051 -5.469 1.00 0.00 C ATOM 1390 C TYR A 86 -1.468 -7.249 -5.194 1.00 0.00 C ATOM 1391 O TYR A 86 -2.458 -7.454 -5.895 1.00 0.00 O ATOM 1392 CB TYR A 86 0.761 -6.555 -6.065 1.00 0.00 C ATOM 1393 CG TYR A 86 0.590 -7.662 -7.107 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.301 -7.338 -8.417 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.724 -8.986 -6.736 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.139 -8.380 -9.397 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.562 -10.027 -7.718 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.278 -9.673 -8.999 1.00 0.00 C ATOM 1399 OH TYR A 86 0.126 -10.658 -9.925 1.00 0.00 O ATOM 0 H TYR A 86 0.795 -5.365 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.087 -5.376 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.285 -5.716 -6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.395 -6.924 -5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.196 -6.303 -8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.950 -9.240 -5.711 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -0.088 -8.140 -10.425 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.664 -11.066 -7.442 1.00 0.00 H new ATOM 0 HH TYR A 86 0.254 -11.531 -9.498 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.102 -8.008 -4.172 1.00 0.00 N ATOM 1410 CA CYS A 87 -1.875 -9.179 -3.795 1.00 0.00 C ATOM 1411 C CYS A 87 -3.312 -8.736 -3.511 1.00 0.00 C ATOM 1412 O CYS A 87 -4.261 -9.435 -3.859 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.254 -9.907 -2.601 1.00 0.00 C ATOM 1414 SG CYS A 87 -0.299 -11.356 -3.179 1.00 0.00 S ATOM 0 H CYS A 87 -0.280 -7.835 -3.593 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.874 -9.898 -4.614 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.603 -9.229 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.036 -10.228 -1.913 1.00 0.00 H new ATOM 0 HG CYS A 87 0.226 -11.965 -2.158 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.425 -7.577 -2.879 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.728 -7.031 -2.543 1.00 0.00 C ATOM 1422 C VAL A 88 -5.479 -6.685 -3.831 1.00 0.00 C ATOM 1423 O VAL A 88 -6.672 -6.962 -3.951 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.569 -5.833 -1.604 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -5.925 -5.381 -1.059 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -3.599 -6.155 -0.466 1.00 0.00 C ATOM 0 H VAL A 88 -2.634 -7.001 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.324 -7.770 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.148 -5.008 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.784 -4.529 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.572 -5.092 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.386 -6.200 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.503 -5.288 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.979 -7.001 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.623 -6.407 -0.880 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.750 -6.086 -4.760 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.332 -5.700 -6.034 1.00 0.00 C ATOM 1438 C HIS A 89 -5.891 -6.937 -6.739 1.00 0.00 C ATOM 1439 O HIS A 89 -6.922 -6.863 -7.406 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.315 -4.940 -6.888 1.00 0.00 C ATOM 1441 CG HIS A 89 -4.230 -3.465 -6.575 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -5.299 -2.601 -6.741 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -3.195 -2.711 -6.105 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -4.913 -1.385 -6.384 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -3.609 -1.455 -5.992 1.00 0.00 N ATOM 0 H HIS A 89 -3.761 -5.858 -4.656 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.162 -5.014 -5.865 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.331 -5.388 -6.748 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.574 -5.063 -7.939 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -2.207 -3.074 -5.865 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.524 -0.495 -6.401 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.044 -0.671 -5.665 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.186 -8.046 -6.567 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.600 -9.297 -7.179 1.00 0.00 C ATOM 1456 C GLN A 90 -6.586 -10.032 -6.269 1.00 0.00 C ATOM 1457 O GLN A 90 -7.206 -11.011 -6.682 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.389 -10.176 -7.499 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.206 -10.327 -9.011 1.00 0.00 C ATOM 1460 CD GLN A 90 -5.085 -11.452 -9.560 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -5.827 -12.103 -8.842 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -4.962 -11.645 -10.870 1.00 0.00 N ATOM 0 H GLN A 90 -4.332 -8.104 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.103 -9.071 -8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.491 -9.738 -7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.518 -11.158 -7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.457 -9.389 -9.507 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.160 -10.536 -9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.323 -11.065 -11.413 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.507 -12.373 -11.332 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.701 -9.532 -5.048 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.602 -10.129 -4.076 1.00 0.00 C ATOM 1473 C ARG A 91 -7.020 -11.443 -3.551 1.00 0.00 C ATOM 1474 O ARG A 91 -7.608 -12.506 -3.742 1.00 0.00 O ATOM 1475 CB ARG A 91 -8.976 -10.397 -4.692 1.00 0.00 C ATOM 1476 CG ARG A 91 -9.461 -9.190 -5.496 1.00 0.00 C ATOM 1477 CD ARG A 91 -9.910 -9.609 -6.898 1.00 0.00 C ATOM 1478 NE ARG A 91 -10.839 -8.603 -7.456 1.00 0.00 N ATOM 1479 CZ ARG A 91 -12.085 -8.399 -7.005 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -12.558 -9.133 -5.988 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -12.859 -7.463 -7.572 1.00 0.00 N ATOM 0 H ARG A 91 -6.185 -8.720 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.717 -9.424 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.924 -11.272 -5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.693 -10.626 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.288 -8.709 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.661 -8.454 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.043 -9.715 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.398 -10.583 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.511 -8.028 -8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.970 -9.847 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.506 -8.978 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.500 -6.905 -8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.807 -7.308 -7.228 1.00 0.00 H new ATOM 1495 N ILE A 92 -5.872 -11.327 -2.901 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.205 -12.493 -2.346 1.00 0.00 C ATOM 1497 C ILE A 92 -5.286 -12.444 -0.819 1.00 0.00 C ATOM 1498 O ILE A 92 -4.979 -11.420 -0.210 1.00 0.00 O ATOM 1499 CB ILE A 92 -3.776 -12.598 -2.882 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -3.763 -13.189 -4.293 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -2.886 -13.388 -1.922 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -2.992 -12.287 -5.259 1.00 0.00 C ATOM 0 H ILE A 92 -5.386 -10.444 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.709 -13.406 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.362 -11.592 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.307 -14.179 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.786 -13.316 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.876 -13.447 -2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.860 -12.887 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.287 -14.394 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.998 -12.731 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.465 -11.306 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.963 -12.181 -4.915 1.00 0.00 H new ATOM 1514 N ASP A 93 -5.702 -13.563 -0.244 1.00 0.00 N ATOM 1515 CA ASP A 93 -5.827 -13.662 1.200 1.00 0.00 C ATOM 1516 C ASP A 93 -4.439 -13.837 1.818 1.00 0.00 C ATOM 1517 O ASP A 93 -3.662 -14.683 1.377 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.678 -14.869 1.598 1.00 0.00 C ATOM 1519 CG ASP A 93 -8.076 -14.531 2.123 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -8.940 -14.221 1.275 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -8.246 -14.590 3.359 1.00 0.00 O ATOM 0 H ASP A 93 -5.957 -14.409 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.304 -12.750 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.780 -15.524 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.146 -15.433 2.364 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.168 -13.024 2.828 1.00 0.00 N ATOM 1527 CA VAL A 94 -2.887 -13.080 3.512 1.00 0.00 C ATOM 1528 C VAL A 94 -3.102 -12.850 5.008 1.00 0.00 C ATOM 1529 O VAL A 94 -4.125 -12.303 5.416 1.00 0.00 O ATOM 1530 CB VAL A 94 -1.917 -12.075 2.885 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.212 -12.680 1.669 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -2.636 -10.777 2.513 1.00 0.00 C ATOM 0 H VAL A 94 -4.814 -12.322 3.190 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.434 -14.065 3.397 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.157 -11.835 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.529 -11.946 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.651 -13.563 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.954 -12.963 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.924 -10.081 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.428 -10.992 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.069 -10.332 3.408 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.119 -13.280 5.788 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.188 -13.128 7.230 1.00 0.00 C ATOM 1544 C LYS A 95 -1.045 -12.224 7.699 1.00 0.00 C ATOM 1545 O LYS A 95 -1.229 -11.393 8.587 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.209 -14.497 7.913 1.00 0.00 C ATOM 1547 CG LYS A 95 -3.101 -14.477 9.156 1.00 0.00 C ATOM 1548 CD LYS A 95 -3.925 -15.762 9.260 1.00 0.00 C ATOM 1549 CE LYS A 95 -4.767 -15.773 10.537 1.00 0.00 C ATOM 1550 NZ LYS A 95 -4.411 -16.933 11.384 1.00 0.00 N ATOM 0 H LYS A 95 -1.271 -13.733 5.447 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.119 -12.640 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.571 -15.251 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.195 -14.783 8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.485 -14.362 10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.768 -13.616 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.576 -15.852 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.260 -16.626 9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.609 -14.848 11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.826 -15.814 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.992 -16.925 12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.585 -17.813 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.405 -16.878 11.644 1.00 0.00 H new ATOM 1564 N ASP A 96 0.110 -12.418 7.081 1.00 0.00 N ATOM 1565 CA ASP A 96 1.283 -11.631 7.423 1.00 0.00 C ATOM 1566 C ASP A 96 2.028 -11.250 6.142 1.00 0.00 C ATOM 1567 O ASP A 96 1.882 -11.910 5.115 1.00 0.00 O ATOM 1568 CB ASP A 96 2.243 -12.429 8.308 1.00 0.00 C ATOM 1569 CG ASP A 96 2.234 -13.940 8.073 1.00 0.00 C ATOM 1570 OD1 ASP A 96 1.410 -14.612 8.729 1.00 0.00 O ATOM 1571 OD2 ASP A 96 3.052 -14.391 7.241 1.00 0.00 O ATOM 0 H ASP A 96 0.259 -13.109 6.345 1.00 0.00 H new ATOM 0 HA ASP A 96 0.948 -10.744 7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.255 -12.058 8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.995 -12.237 9.352 1.00 0.00 H new ATOM 1576 N THR A 97 2.810 -10.186 6.244 1.00 0.00 N ATOM 1577 CA THR A 97 3.578 -9.709 5.107 1.00 0.00 C ATOM 1578 C THR A 97 4.541 -10.793 4.621 1.00 0.00 C ATOM 1579 O THR A 97 4.892 -10.834 3.443 1.00 0.00 O ATOM 1580 CB THR A 97 4.280 -8.413 5.521 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.112 -8.099 4.407 1.00 0.00 O ATOM 1582 CG2 THR A 97 5.265 -8.623 6.673 1.00 0.00 C ATOM 0 H THR A 97 2.928 -9.640 7.097 1.00 0.00 H new ATOM 0 HA THR A 97 2.932 -9.489 4.257 1.00 0.00 H new ATOM 0 HB THR A 97 3.534 -7.673 5.811 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.756 -7.312 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.735 -7.673 6.927 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.732 -9.008 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.031 -9.338 6.371 1.00 0.00 H new ATOM 1590 N LYS A 98 4.941 -11.645 5.553 1.00 0.00 N ATOM 1591 CA LYS A 98 5.857 -12.728 5.235 1.00 0.00 C ATOM 1592 C LYS A 98 5.135 -13.762 4.368 1.00 0.00 C ATOM 1593 O LYS A 98 5.721 -14.314 3.438 1.00 0.00 O ATOM 1594 CB LYS A 98 6.462 -13.312 6.513 1.00 0.00 C ATOM 1595 CG LYS A 98 7.383 -14.491 6.194 1.00 0.00 C ATOM 1596 CD LYS A 98 8.779 -14.006 5.798 1.00 0.00 C ATOM 1597 CE LYS A 98 9.815 -15.119 5.970 1.00 0.00 C ATOM 1598 NZ LYS A 98 11.186 -14.566 5.883 1.00 0.00 N ATOM 0 H LYS A 98 4.648 -11.608 6.529 1.00 0.00 H new ATOM 0 HA LYS A 98 6.700 -12.355 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.023 -12.540 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.665 -13.639 7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.455 -15.146 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.956 -15.082 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.770 -13.669 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.057 -13.148 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.674 -15.610 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.673 -15.879 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.878 -15.333 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.321 -14.118 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.323 -13.858 6.632 1.00 0.00 H new ATOM 1612 N GLU A 99 3.874 -13.993 4.703 1.00 0.00 N ATOM 1613 CA GLU A 99 3.068 -14.950 3.967 1.00 0.00 C ATOM 1614 C GLU A 99 2.793 -14.437 2.553 1.00 0.00 C ATOM 1615 O GLU A 99 2.927 -15.180 1.581 1.00 0.00 O ATOM 1616 CB GLU A 99 1.760 -15.248 4.705 1.00 0.00 C ATOM 1617 CG GLU A 99 0.959 -16.333 3.984 1.00 0.00 C ATOM 1618 CD GLU A 99 1.524 -17.723 4.284 1.00 0.00 C ATOM 1619 OE1 GLU A 99 2.669 -17.974 3.852 1.00 0.00 O ATOM 1620 OE2 GLU A 99 0.798 -18.503 4.938 1.00 0.00 O ATOM 0 H GLU A 99 3.391 -13.533 5.475 1.00 0.00 H new ATOM 0 HA GLU A 99 3.626 -15.883 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.978 -15.568 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.164 -14.338 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.085 -16.286 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.980 -16.152 2.909 1.00 0.00 H new ATOM 1627 N ALA A 100 2.416 -13.169 2.480 1.00 0.00 N ATOM 1628 CA ALA A 100 2.122 -12.548 1.200 1.00 0.00 C ATOM 1629 C ALA A 100 3.383 -12.549 0.336 1.00 0.00 C ATOM 1630 O ALA A 100 3.323 -12.848 -0.856 1.00 0.00 O ATOM 1631 CB ALA A 100 1.574 -11.138 1.431 1.00 0.00 C ATOM 0 H ALA A 100 2.307 -12.555 3.287 1.00 0.00 H new ATOM 0 HA ALA A 100 1.357 -13.112 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.353 -10.672 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.662 -11.195 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.316 -10.542 1.962 1.00 0.00 H new ATOM 1637 N LEU A 101 4.497 -12.211 0.969 1.00 0.00 N ATOM 1638 CA LEU A 101 5.772 -12.169 0.273 1.00 0.00 C ATOM 1639 C LEU A 101 6.194 -13.593 -0.093 1.00 0.00 C ATOM 1640 O LEU A 101 6.861 -13.807 -1.105 1.00 0.00 O ATOM 1641 CB LEU A 101 6.810 -11.413 1.102 1.00 0.00 C ATOM 1642 CG LEU A 101 7.922 -10.718 0.313 1.00 0.00 C ATOM 1643 CD1 LEU A 101 7.373 -9.527 -0.474 1.00 0.00 C ATOM 1644 CD2 LEU A 101 9.077 -10.314 1.231 1.00 0.00 C ATOM 0 H LEU A 101 4.543 -11.963 1.957 1.00 0.00 H new ATOM 0 HA LEU A 101 5.679 -11.614 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.292 -10.663 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.270 -12.114 1.799 1.00 0.00 H new ATOM 0 HG LEU A 101 8.321 -11.428 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.183 -9.051 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.612 -9.873 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.932 -8.807 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.853 -9.822 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.711 -9.629 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.491 -11.203 1.708 1.00 0.00 H new ATOM 1656 N ASP A 102 5.788 -14.532 0.750 1.00 0.00 N ATOM 1657 CA ASP A 102 6.117 -15.930 0.528 1.00 0.00 C ATOM 1658 C ASP A 102 5.316 -16.454 -0.666 1.00 0.00 C ATOM 1659 O ASP A 102 5.838 -17.205 -1.487 1.00 0.00 O ATOM 1660 CB ASP A 102 5.760 -16.780 1.749 1.00 0.00 C ATOM 1661 CG ASP A 102 6.955 -17.273 2.566 1.00 0.00 C ATOM 1662 OD1 ASP A 102 8.011 -17.511 1.941 1.00 0.00 O ATOM 1663 OD2 ASP A 102 6.787 -17.399 3.798 1.00 0.00 O ATOM 0 H ASP A 102 5.234 -14.352 1.588 1.00 0.00 H new ATOM 0 HA ASP A 102 7.189 -16.000 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.109 -16.197 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.186 -17.644 1.416 1.00 0.00 H new ATOM 1668 N LYS A 103 4.059 -16.039 -0.722 1.00 0.00 N ATOM 1669 CA LYS A 103 3.181 -16.457 -1.801 1.00 0.00 C ATOM 1670 C LYS A 103 3.672 -15.852 -3.118 1.00 0.00 C ATOM 1671 O LYS A 103 3.808 -16.557 -4.116 1.00 0.00 O ATOM 1672 CB LYS A 103 1.726 -16.113 -1.472 1.00 0.00 C ATOM 1673 CG LYS A 103 0.766 -17.103 -2.134 1.00 0.00 C ATOM 1674 CD LYS A 103 -0.136 -17.772 -1.094 1.00 0.00 C ATOM 1675 CE LYS A 103 -0.397 -19.236 -1.455 1.00 0.00 C ATOM 1676 NZ LYS A 103 -1.311 -19.857 -0.471 1.00 0.00 N ATOM 0 H LYS A 103 3.628 -15.418 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 103 3.211 -17.540 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.581 -16.127 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.502 -15.102 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.154 -16.584 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.334 -17.863 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.331 -17.714 -0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.083 -17.235 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.830 -19.299 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.545 -19.784 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.478 -20.850 -0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.883 -19.814 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.216 -19.344 -0.466 1.00 0.00 H new ATOM 1690 N ILE A 104 3.925 -14.552 -3.076 1.00 0.00 N ATOM 1691 CA ILE A 104 4.399 -13.844 -4.253 1.00 0.00 C ATOM 1692 C ILE A 104 5.780 -14.374 -4.641 1.00 0.00 C ATOM 1693 O ILE A 104 6.109 -14.456 -5.824 1.00 0.00 O ATOM 1694 CB ILE A 104 4.364 -12.332 -4.019 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.931 -11.591 -5.287 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.709 -11.828 -3.492 1.00 0.00 C ATOM 1697 CD1 ILE A 104 2.613 -10.849 -5.064 1.00 0.00 C ATOM 0 H ILE A 104 3.811 -13.971 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 104 3.738 -14.028 -5.100 1.00 0.00 H new ATOM 0 HB ILE A 104 3.618 -12.122 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.706 -10.883 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.819 -12.300 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.657 -10.751 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.938 -12.322 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.491 -12.051 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.328 -10.331 -5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.835 -11.563 -4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.735 -10.123 -4.260 1.00 0.00 H new ATOM 1709 N GLU A 105 6.553 -14.723 -3.622 1.00 0.00 N ATOM 1710 CA GLU A 105 7.891 -15.244 -3.841 1.00 0.00 C ATOM 1711 C GLU A 105 7.823 -16.633 -4.479 1.00 0.00 C ATOM 1712 O GLU A 105 8.616 -16.954 -5.362 1.00 0.00 O ATOM 1713 CB GLU A 105 8.686 -15.280 -2.535 1.00 0.00 C ATOM 1714 CG GLU A 105 10.088 -15.849 -2.762 1.00 0.00 C ATOM 1715 CD GLU A 105 10.496 -16.774 -1.613 1.00 0.00 C ATOM 1716 OE1 GLU A 105 10.726 -16.239 -0.507 1.00 0.00 O ATOM 1717 OE2 GLU A 105 10.569 -17.996 -1.868 1.00 0.00 O ATOM 0 H GLU A 105 6.277 -14.655 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 105 8.411 -14.576 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.760 -14.274 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.158 -15.887 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.114 -16.399 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.806 -15.033 -2.850 1.00 0.00 H new