USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 MET CE :methyl 163:sc= 0 (180deg=-0.00872) USER MOD Set 1.2: A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0.0172 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.16) USER MOD Single : A 7 THR OG1 : rot -16:sc= 0.469 USER MOD Single : A 8 ASN : amide:sc= 0.677 K(o=0.68,f=-2.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00892 USER MOD Single : A 13 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 14 MET CE :methyl -174:sc=-0.00946 (180deg=-0.0755) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.624 K(o=0.62,f=-5.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=-0.39) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.2) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.0565 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.257 K(o=-0.26,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 7.002 10.656 -1.710 1.00 0.00 N ATOM 102 CA THR A 7 6.825 10.673 -3.162 1.00 0.00 C ATOM 103 C THR A 7 5.952 9.500 -3.635 1.00 0.00 C ATOM 104 O THR A 7 5.982 8.414 -3.053 1.00 0.00 O ATOM 105 CB THR A 7 8.209 10.659 -3.865 1.00 0.00 C ATOM 106 OG1 THR A 7 9.187 9.947 -3.117 1.00 0.00 O ATOM 107 CG2 THR A 7 8.788 12.061 -4.072 1.00 0.00 C ATOM 0 HA THR A 7 6.304 11.591 -3.434 1.00 0.00 H new ATOM 0 HB THR A 7 8.011 10.177 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.872 9.827 -2.197 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.756 11.985 -4.568 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.109 12.648 -4.690 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.912 12.550 -3.106 1.00 0.00 H new ATOM 115 N ASN A 8 5.190 9.728 -4.710 1.00 0.00 N ATOM 116 CA ASN A 8 4.464 8.697 -5.468 1.00 0.00 C ATOM 117 C ASN A 8 5.144 8.636 -6.824 1.00 0.00 C ATOM 118 O ASN A 8 5.417 9.696 -7.388 1.00 0.00 O ATOM 119 CB ASN A 8 2.975 9.030 -5.668 1.00 0.00 C ATOM 120 CG ASN A 8 2.164 9.103 -4.383 1.00 0.00 C ATOM 121 OD1 ASN A 8 1.521 10.109 -4.116 1.00 0.00 O ATOM 122 ND2 ASN A 8 2.162 8.063 -3.568 1.00 0.00 N ATOM 0 H ASN A 8 5.056 10.665 -5.091 1.00 0.00 H new ATOM 0 HA ASN A 8 4.492 7.754 -4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.896 9.986 -6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.532 8.277 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.620 8.093 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.702 7.230 -3.802 1.00 0.00 H new ATOM 129 N THR A 9 5.386 7.440 -7.363 1.00 0.00 N ATOM 130 CA THR A 9 5.918 7.284 -8.714 1.00 0.00 C ATOM 131 C THR A 9 4.952 6.447 -9.540 1.00 0.00 C ATOM 132 O THR A 9 4.374 5.470 -9.057 1.00 0.00 O ATOM 133 CB THR A 9 7.350 6.705 -8.709 1.00 0.00 C ATOM 134 OG1 THR A 9 8.194 7.476 -7.870 1.00 0.00 O ATOM 135 CG2 THR A 9 7.972 6.596 -10.112 1.00 0.00 C ATOM 0 H THR A 9 5.219 6.559 -6.877 1.00 0.00 H new ATOM 0 HA THR A 9 6.004 8.267 -9.177 1.00 0.00 H new ATOM 0 HB THR A 9 7.263 5.690 -8.322 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.097 7.096 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.977 6.182 -10.033 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.358 5.943 -10.732 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.022 7.586 -10.566 1.00 0.00 H new ATOM 143 N TRP A 10 4.833 6.821 -10.809 1.00 0.00 N ATOM 144 CA TRP A 10 4.056 6.149 -11.829 1.00 0.00 C ATOM 145 C TRP A 10 4.921 6.045 -13.067 1.00 0.00 C ATOM 146 O TRP A 10 5.835 6.844 -13.252 1.00 0.00 O ATOM 147 CB TRP A 10 2.807 6.983 -12.106 1.00 0.00 C ATOM 148 CG TRP A 10 1.888 7.092 -10.943 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.056 6.121 -10.544 1.00 0.00 C ATOM 150 CD2 TRP A 10 1.689 8.193 -10.014 1.00 0.00 C ATOM 151 NE1 TRP A 10 0.324 6.544 -9.452 1.00 0.00 N ATOM 152 CE2 TRP A 10 0.661 7.834 -9.094 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.261 9.470 -9.887 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.204 8.726 -8.110 1.00 0.00 C ATOM 155 CZ3 TRP A 10 1.777 10.388 -8.941 1.00 0.00 C ATOM 156 CH2 TRP A 10 0.749 10.022 -8.053 1.00 0.00 C ATOM 0 H TRP A 10 5.306 7.650 -11.168 1.00 0.00 H new ATOM 0 HA TRP A 10 3.748 5.151 -11.517 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.111 7.984 -12.412 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.267 6.543 -12.944 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.970 5.150 -11.008 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.375 5.977 -8.972 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.085 9.750 -10.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.556 8.421 -7.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.197 11.382 -8.895 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.379 10.734 -7.330 1.00 0.00 H new ATOM 167 N VAL A 11 4.627 5.086 -13.930 1.00 0.00 N ATOM 168 CA VAL A 11 5.245 4.973 -15.234 1.00 0.00 C ATOM 169 C VAL A 11 4.138 4.952 -16.279 1.00 0.00 C ATOM 170 O VAL A 11 3.133 4.258 -16.113 1.00 0.00 O ATOM 171 CB VAL A 11 6.219 3.798 -15.280 1.00 0.00 C ATOM 172 CG1 VAL A 11 6.883 3.652 -16.661 1.00 0.00 C ATOM 173 CG2 VAL A 11 7.302 3.968 -14.206 1.00 0.00 C ATOM 0 H VAL A 11 3.942 4.355 -13.738 1.00 0.00 H new ATOM 0 HA VAL A 11 5.875 5.834 -15.459 1.00 0.00 H new ATOM 0 HB VAL A 11 5.644 2.893 -15.087 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.568 2.804 -16.648 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.116 3.487 -17.418 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.436 4.561 -16.897 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.991 3.125 -14.248 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.850 4.893 -14.385 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.835 4.007 -13.222 1.00 0.00 H new ATOM 183 N LEU A 12 4.327 5.734 -17.344 1.00 0.00 N ATOM 184 CA LEU A 12 3.404 5.848 -18.461 1.00 0.00 C ATOM 185 C LEU A 12 4.134 5.374 -19.695 1.00 0.00 C ATOM 186 O LEU A 12 5.173 5.936 -20.033 1.00 0.00 O ATOM 187 CB LEU A 12 2.959 7.305 -18.656 1.00 0.00 C ATOM 188 CG LEU A 12 2.290 7.958 -17.446 1.00 0.00 C ATOM 189 CD1 LEU A 12 1.994 9.425 -17.788 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.014 7.190 -17.099 1.00 0.00 C ATOM 0 H LEU A 12 5.154 6.321 -17.450 1.00 0.00 H new ATOM 0 HA LEU A 12 2.513 5.250 -18.272 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.831 7.899 -18.931 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.267 7.345 -19.497 1.00 0.00 H new ATOM 0 HG LEU A 12 2.943 7.929 -16.574 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.516 9.908 -16.936 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.926 9.940 -18.021 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.329 9.471 -18.651 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.534 7.653 -16.237 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.333 7.213 -17.949 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.265 6.156 -16.863 1.00 0.00 H new ATOM 202 N HIS A 13 3.579 4.386 -20.383 1.00 0.00 N ATOM 203 CA HIS A 13 4.059 3.984 -21.689 1.00 0.00 C ATOM 204 C HIS A 13 3.199 4.714 -22.720 1.00 0.00 C ATOM 205 O HIS A 13 1.989 4.478 -22.779 1.00 0.00 O ATOM 206 CB HIS A 13 4.010 2.455 -21.824 1.00 0.00 C ATOM 207 CG HIS A 13 4.581 1.919 -23.116 1.00 0.00 C ATOM 208 ND1 HIS A 13 5.587 2.474 -23.877 1.00 0.00 N ATOM 209 CD2 HIS A 13 4.218 0.745 -23.725 1.00 0.00 C ATOM 210 CE1 HIS A 13 5.831 1.647 -24.907 1.00 0.00 C ATOM 211 NE2 HIS A 13 5.016 0.575 -24.864 1.00 0.00 N ATOM 0 H HIS A 13 2.783 3.843 -20.048 1.00 0.00 H new ATOM 0 HA HIS A 13 5.103 4.255 -21.846 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.555 2.012 -20.990 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.974 2.129 -21.737 1.00 0.00 H new ATOM 0 HD1 HIS A 13 6.062 3.357 -23.691 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.449 0.068 -23.385 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.579 1.818 -25.667 1.00 0.00 H new ATOM 219 N MET A 14 3.795 5.636 -23.485 1.00 0.00 N ATOM 220 CA MET A 14 3.097 6.483 -24.443 1.00 0.00 C ATOM 221 C MET A 14 4.028 6.743 -25.627 1.00 0.00 C ATOM 222 O MET A 14 5.216 6.984 -25.428 1.00 0.00 O ATOM 223 CB MET A 14 2.667 7.824 -23.809 1.00 0.00 C ATOM 224 CG MET A 14 1.752 7.672 -22.589 1.00 0.00 C ATOM 225 SD MET A 14 1.057 9.203 -21.899 1.00 0.00 S ATOM 226 CE MET A 14 2.555 10.168 -21.559 1.00 0.00 C ATOM 0 H MET A 14 4.799 5.813 -23.450 1.00 0.00 H new ATOM 0 HA MET A 14 2.192 5.972 -24.771 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.559 8.377 -23.515 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.155 8.422 -24.562 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.926 7.015 -22.862 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.313 7.168 -21.803 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.286 11.085 -21.036 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.232 9.582 -20.938 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.048 10.418 -22.499 1.00 0.00 H new ATOM 236 N ASP A 15 3.492 6.702 -26.851 1.00 0.00 N ATOM 237 CA ASP A 15 4.212 6.985 -28.101 1.00 0.00 C ATOM 238 C ASP A 15 5.545 6.218 -28.223 1.00 0.00 C ATOM 239 O ASP A 15 6.553 6.733 -28.714 1.00 0.00 O ATOM 240 CB ASP A 15 4.341 8.501 -28.321 1.00 0.00 C ATOM 241 CG ASP A 15 4.838 8.847 -29.738 1.00 0.00 C ATOM 242 OD1 ASP A 15 4.347 8.250 -30.729 1.00 0.00 O ATOM 243 OD2 ASP A 15 5.668 9.778 -29.878 1.00 0.00 O ATOM 0 H ASP A 15 2.513 6.463 -27.006 1.00 0.00 H new ATOM 0 HA ASP A 15 3.612 6.597 -28.924 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.373 8.974 -28.152 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.031 8.915 -27.585 1.00 0.00 H new ATOM 248 N GLY A 16 5.557 4.970 -27.734 1.00 0.00 N ATOM 249 CA GLY A 16 6.716 4.083 -27.781 1.00 0.00 C ATOM 250 C GLY A 16 7.772 4.379 -26.708 1.00 0.00 C ATOM 251 O GLY A 16 8.740 3.622 -26.598 1.00 0.00 O ATOM 0 H GLY A 16 4.744 4.546 -27.288 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.377 3.053 -27.668 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.180 4.160 -28.764 1.00 0.00 H new ATOM 255 N GLU A 17 7.602 5.432 -25.904 1.00 0.00 N ATOM 256 CA GLU A 17 8.482 5.814 -24.812 1.00 0.00 C ATOM 257 C GLU A 17 7.886 5.380 -23.472 1.00 0.00 C ATOM 258 O GLU A 17 6.703 5.037 -23.384 1.00 0.00 O ATOM 259 CB GLU A 17 8.769 7.328 -24.856 1.00 0.00 C ATOM 260 CG GLU A 17 9.789 7.667 -25.950 1.00 0.00 C ATOM 261 CD GLU A 17 10.171 9.160 -25.934 1.00 0.00 C ATOM 262 OE1 GLU A 17 11.123 9.536 -25.203 1.00 0.00 O ATOM 263 OE2 GLU A 17 9.556 9.962 -26.681 1.00 0.00 O ATOM 0 H GLU A 17 6.809 6.066 -26.007 1.00 0.00 H new ATOM 0 HA GLU A 17 9.437 5.300 -24.926 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.842 7.871 -25.038 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.147 7.658 -23.888 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.685 7.061 -25.812 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.376 7.408 -26.925 1.00 0.00 H new ATOM 270 N ASN A 18 8.708 5.386 -22.422 1.00 0.00 N ATOM 271 CA ASN A 18 8.290 5.207 -21.040 1.00 0.00 C ATOM 272 C ASN A 18 8.686 6.463 -20.276 1.00 0.00 C ATOM 273 O ASN A 18 9.856 6.856 -20.289 1.00 0.00 O ATOM 274 CB ASN A 18 8.888 3.940 -20.411 1.00 0.00 C ATOM 275 CG ASN A 18 8.010 2.722 -20.685 1.00 0.00 C ATOM 276 OD1 ASN A 18 7.132 2.394 -19.894 1.00 0.00 O ATOM 277 ND2 ASN A 18 8.196 2.051 -21.815 1.00 0.00 N ATOM 0 H ASN A 18 9.715 5.520 -22.518 1.00 0.00 H new ATOM 0 HA ASN A 18 7.210 5.065 -20.996 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.887 3.769 -20.811 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.995 4.080 -19.335 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.604 1.250 -22.036 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.931 2.336 -22.463 1.00 0.00 H new ATOM 284 N PHE A 19 7.712 7.083 -19.613 1.00 0.00 N ATOM 285 CA PHE A 19 7.882 8.295 -18.820 1.00 0.00 C ATOM 286 C PHE A 19 7.672 7.936 -17.356 1.00 0.00 C ATOM 287 O PHE A 19 6.610 7.417 -17.014 1.00 0.00 O ATOM 288 CB PHE A 19 6.880 9.370 -19.267 1.00 0.00 C ATOM 289 CG PHE A 19 6.996 9.770 -20.725 1.00 0.00 C ATOM 290 CD1 PHE A 19 6.277 9.067 -21.713 1.00 0.00 C ATOM 291 CD2 PHE A 19 7.835 10.838 -21.098 1.00 0.00 C ATOM 292 CE1 PHE A 19 6.420 9.416 -23.065 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.973 11.186 -22.453 1.00 0.00 C ATOM 294 CZ PHE A 19 7.272 10.470 -23.439 1.00 0.00 C ATOM 0 H PHE A 19 6.751 6.742 -19.614 1.00 0.00 H new ATOM 0 HA PHE A 19 8.884 8.701 -18.960 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.869 9.006 -19.083 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.017 10.257 -18.648 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.617 8.261 -21.430 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.373 11.390 -20.342 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.873 8.873 -23.821 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.618 12.004 -22.737 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.388 10.729 -24.481 1.00 0.00 H new ATOM 304 N ARG A 20 8.642 8.206 -16.481 1.00 0.00 N ATOM 305 CA ARG A 20 8.451 8.098 -15.042 1.00 0.00 C ATOM 306 C ARG A 20 7.867 9.428 -14.577 1.00 0.00 C ATOM 307 O ARG A 20 8.471 10.473 -14.817 1.00 0.00 O ATOM 308 CB ARG A 20 9.772 7.736 -14.332 1.00 0.00 C ATOM 309 CG ARG A 20 9.540 7.053 -12.975 1.00 0.00 C ATOM 310 CD ARG A 20 10.330 5.746 -12.861 1.00 0.00 C ATOM 311 NE ARG A 20 11.790 5.977 -12.829 1.00 0.00 N ATOM 312 CZ ARG A 20 12.738 5.027 -12.852 1.00 0.00 C ATOM 313 NH1 ARG A 20 12.412 3.737 -12.909 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.021 5.374 -12.818 1.00 0.00 N ATOM 0 H ARG A 20 9.578 8.505 -16.754 1.00 0.00 H new ATOM 0 HA ARG A 20 7.765 7.290 -14.788 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.357 7.076 -14.973 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.362 8.641 -14.184 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.834 7.728 -12.172 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.477 6.849 -12.846 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.027 5.218 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.084 5.100 -13.704 1.00 0.00 H new ATOM 0 HE ARG A 20 12.105 6.946 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.431 3.460 -12.936 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.144 3.026 -12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.282 6.359 -12.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.744 4.655 -12.835 1.00 0.00 H new ATOM 328 N ILE A 21 6.712 9.401 -13.924 1.00 0.00 N ATOM 329 CA ILE A 21 6.128 10.536 -13.240 1.00 0.00 C ATOM 330 C ILE A 21 6.490 10.350 -11.781 1.00 0.00 C ATOM 331 O ILE A 21 6.259 9.263 -11.262 1.00 0.00 O ATOM 332 CB ILE A 21 4.601 10.567 -13.438 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.236 10.689 -14.928 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.901 11.645 -12.584 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.693 11.973 -15.626 1.00 0.00 C ATOM 0 H ILE A 21 6.141 8.558 -13.857 1.00 0.00 H new ATOM 0 HA ILE A 21 6.501 11.484 -13.627 1.00 0.00 H new ATOM 0 HB ILE A 21 4.222 9.611 -13.077 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.664 9.838 -15.458 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.153 10.612 -15.024 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.827 11.615 -12.769 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.093 11.454 -11.528 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.288 12.628 -12.851 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.382 11.950 -16.670 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.244 12.835 -15.132 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.779 12.049 -15.573 1.00 0.00 H new ATOM 347 N VAL A 22 6.972 11.383 -11.103 1.00 0.00 N ATOM 348 CA VAL A 22 7.147 11.377 -9.665 1.00 0.00 C ATOM 349 C VAL A 22 6.462 12.631 -9.130 1.00 0.00 C ATOM 350 O VAL A 22 6.800 13.741 -9.530 1.00 0.00 O ATOM 351 CB VAL A 22 8.641 11.274 -9.284 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.799 11.118 -7.765 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.341 10.086 -9.957 1.00 0.00 C ATOM 0 H VAL A 22 7.255 12.257 -11.546 1.00 0.00 H new ATOM 0 HA VAL A 22 6.688 10.500 -9.208 1.00 0.00 H new ATOM 0 HB VAL A 22 9.106 12.197 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.857 11.047 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.365 11.983 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.287 10.213 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.388 10.062 -9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.854 9.158 -9.655 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.279 10.193 -11.040 1.00 0.00 H new ATOM 363 N LEU A 23 5.489 12.459 -8.240 1.00 0.00 N ATOM 364 CA LEU A 23 4.892 13.552 -7.477 1.00 0.00 C ATOM 365 C LEU A 23 5.687 13.712 -6.190 1.00 0.00 C ATOM 366 O LEU A 23 5.760 12.760 -5.413 1.00 0.00 O ATOM 367 CB LEU A 23 3.422 13.221 -7.167 1.00 0.00 C ATOM 368 CG LEU A 23 2.770 14.075 -6.051 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.592 15.537 -6.468 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.413 13.480 -5.667 1.00 0.00 C ATOM 0 H LEU A 23 5.088 11.546 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 23 4.918 14.482 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.840 13.342 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.356 12.171 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 23 3.443 14.058 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.131 16.094 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.565 15.970 -6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.953 15.589 -7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.960 14.085 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.760 13.470 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.552 12.461 -5.306 1.00 0.00 H new ATOM 382 N GLU A 24 6.248 14.894 -5.950 1.00 0.00 N ATOM 383 CA GLU A 24 6.831 15.268 -4.670 1.00 0.00 C ATOM 384 C GLU A 24 5.661 15.781 -3.843 1.00 0.00 C ATOM 385 O GLU A 24 5.067 16.804 -4.185 1.00 0.00 O ATOM 386 CB GLU A 24 7.938 16.323 -4.875 1.00 0.00 C ATOM 387 CG GLU A 24 9.333 15.746 -4.600 1.00 0.00 C ATOM 388 CD GLU A 24 9.628 15.367 -3.136 1.00 0.00 C ATOM 389 OE1 GLU A 24 8.821 15.683 -2.230 1.00 0.00 O ATOM 390 OE2 GLU A 24 10.695 14.746 -2.916 1.00 0.00 O ATOM 0 H GLU A 24 6.310 15.630 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 24 7.322 14.439 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.896 16.700 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.759 17.171 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.466 14.859 -5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.077 16.475 -4.923 1.00 0.00 H new ATOM 397 N LYS A 25 5.280 15.063 -2.784 1.00 0.00 N ATOM 398 CA LYS A 25 4.034 15.355 -2.067 1.00 0.00 C ATOM 399 C LYS A 25 4.151 16.613 -1.211 1.00 0.00 C ATOM 400 O LYS A 25 3.154 17.304 -1.019 1.00 0.00 O ATOM 401 CB LYS A 25 3.618 14.160 -1.210 1.00 0.00 C ATOM 402 CG LYS A 25 3.083 13.027 -2.098 1.00 0.00 C ATOM 403 CD LYS A 25 2.843 11.738 -1.312 1.00 0.00 C ATOM 404 CE LYS A 25 1.879 11.924 -0.124 1.00 0.00 C ATOM 405 NZ LYS A 25 1.615 10.660 0.619 1.00 0.00 N ATOM 0 H LYS A 25 5.812 14.280 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 25 3.262 15.540 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.470 13.805 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.852 14.465 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.151 13.344 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.793 12.833 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.440 10.980 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.797 11.362 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.296 12.661 0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.935 12.327 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.961 10.849 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.190 9.962 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.509 10.285 0.995 1.00 0.00 H new ATOM 419 N ASP A 26 5.351 16.917 -0.709 1.00 0.00 N ATOM 420 CA ASP A 26 5.564 18.069 0.171 1.00 0.00 C ATOM 421 C ASP A 26 5.274 19.378 -0.568 1.00 0.00 C ATOM 422 O ASP A 26 4.622 20.270 -0.020 1.00 0.00 O ATOM 423 CB ASP A 26 6.999 18.079 0.698 1.00 0.00 C ATOM 424 CG ASP A 26 7.210 19.263 1.660 1.00 0.00 C ATOM 425 OD1 ASP A 26 6.773 19.164 2.833 1.00 0.00 O ATOM 426 OD2 ASP A 26 7.833 20.273 1.253 1.00 0.00 O ATOM 0 H ASP A 26 6.195 16.377 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 26 4.876 17.983 1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.210 17.142 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.698 18.150 -0.135 1.00 0.00 H new ATOM 431 N ALA A 27 5.714 19.467 -1.830 1.00 0.00 N ATOM 432 CA ALA A 27 5.531 20.626 -2.689 1.00 0.00 C ATOM 433 C ALA A 27 4.317 20.501 -3.623 1.00 0.00 C ATOM 434 O ALA A 27 3.896 21.507 -4.200 1.00 0.00 O ATOM 435 CB ALA A 27 6.820 20.841 -3.496 1.00 0.00 C ATOM 0 H ALA A 27 6.221 18.709 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 27 5.326 21.489 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.702 21.707 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.653 21.011 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.022 19.957 -4.101 1.00 0.00 H new ATOM 441 N MET A 28 3.760 19.291 -3.780 1.00 0.00 N ATOM 442 CA MET A 28 2.761 18.945 -4.788 1.00 0.00 C ATOM 443 C MET A 28 3.264 19.350 -6.186 1.00 0.00 C ATOM 444 O MET A 28 2.519 19.907 -6.996 1.00 0.00 O ATOM 445 CB MET A 28 1.343 19.424 -4.437 1.00 0.00 C ATOM 446 CG MET A 28 0.824 18.779 -3.144 1.00 0.00 C ATOM 447 SD MET A 28 -0.970 18.905 -2.892 1.00 0.00 S ATOM 448 CE MET A 28 -1.562 17.646 -4.065 1.00 0.00 C ATOM 0 H MET A 28 4.006 18.501 -3.184 1.00 0.00 H new ATOM 0 HA MET A 28 2.643 17.861 -4.802 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.343 20.508 -4.327 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.666 19.187 -5.258 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.103 17.725 -3.144 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.329 19.243 -2.296 1.00 0.00 H new ATOM 0 HE1 MET A 28 -2.592 17.382 -3.827 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.514 18.043 -5.079 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.934 16.758 -3.993 1.00 0.00 H new ATOM 458 N ASP A 29 4.546 19.078 -6.449 1.00 0.00 N ATOM 459 CA ASP A 29 5.206 19.352 -7.722 1.00 0.00 C ATOM 460 C ASP A 29 5.428 18.031 -8.445 1.00 0.00 C ATOM 461 O ASP A 29 5.662 17.011 -7.789 1.00 0.00 O ATOM 462 CB ASP A 29 6.533 20.090 -7.509 1.00 0.00 C ATOM 463 CG ASP A 29 7.150 20.621 -8.818 1.00 0.00 C ATOM 464 OD1 ASP A 29 6.432 20.767 -9.835 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.357 20.964 -8.790 1.00 0.00 O ATOM 0 H ASP A 29 5.167 18.650 -5.762 1.00 0.00 H new ATOM 0 HA ASP A 29 4.574 20.001 -8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.372 20.924 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.242 19.417 -7.028 1.00 0.00 H new ATOM 470 N VAL A 30 5.336 18.024 -9.771 1.00 0.00 N ATOM 471 CA VAL A 30 5.385 16.811 -10.566 1.00 0.00 C ATOM 472 C VAL A 30 6.616 16.836 -11.476 1.00 0.00 C ATOM 473 O VAL A 30 6.786 17.730 -12.314 1.00 0.00 O ATOM 474 CB VAL A 30 4.022 16.589 -11.260 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.797 17.420 -12.526 1.00 0.00 C ATOM 476 CG2 VAL A 30 3.840 15.107 -11.605 1.00 0.00 C ATOM 0 H VAL A 30 5.224 18.872 -10.326 1.00 0.00 H new ATOM 0 HA VAL A 30 5.525 15.925 -9.946 1.00 0.00 H new ATOM 0 HB VAL A 30 3.281 16.926 -10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.814 17.194 -12.939 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.852 18.480 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.564 17.178 -13.261 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.876 14.963 -12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.638 14.789 -12.276 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.876 14.514 -10.691 1.00 0.00 H new ATOM 486 N TRP A 31 7.478 15.838 -11.312 1.00 0.00 N ATOM 487 CA TRP A 31 8.615 15.575 -12.164 1.00 0.00 C ATOM 488 C TRP A 31 8.193 14.563 -13.228 1.00 0.00 C ATOM 489 O TRP A 31 7.643 13.517 -12.883 1.00 0.00 O ATOM 490 CB TRP A 31 9.772 15.021 -11.317 1.00 0.00 C ATOM 491 CG TRP A 31 9.969 15.619 -9.950 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.619 15.043 -8.778 1.00 0.00 C ATOM 493 CD2 TRP A 31 10.569 16.896 -9.575 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.986 15.848 -7.727 1.00 0.00 N ATOM 495 CE2 TRP A 31 10.596 17.000 -8.153 1.00 0.00 C ATOM 496 CE3 TRP A 31 11.105 17.970 -10.300 1.00 0.00 C ATOM 497 CZ2 TRP A 31 11.155 18.098 -7.485 1.00 0.00 C ATOM 498 CZ3 TRP A 31 11.678 19.079 -9.645 1.00 0.00 C ATOM 499 CH2 TRP A 31 11.708 19.143 -8.240 1.00 0.00 C ATOM 0 H TRP A 31 7.393 15.167 -10.548 1.00 0.00 H new ATOM 0 HA TRP A 31 8.953 16.491 -12.648 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.621 13.948 -11.198 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.696 15.152 -11.880 1.00 0.00 H new ATOM 0 HD1 TRP A 31 9.123 14.089 -8.682 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.824 15.617 -6.747 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.078 17.947 -11.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.160 18.139 -6.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.098 19.886 -10.227 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.155 19.993 -7.745 1.00 0.00 H new ATOM 510 N CYS A 32 8.462 14.832 -14.503 1.00 0.00 N ATOM 511 CA CYS A 32 8.333 13.870 -15.588 1.00 0.00 C ATOM 512 C CYS A 32 9.756 13.641 -16.093 1.00 0.00 C ATOM 513 O CYS A 32 10.416 14.593 -16.516 1.00 0.00 O ATOM 514 CB CYS A 32 7.394 14.431 -16.662 1.00 0.00 C ATOM 515 SG CYS A 32 7.158 13.213 -17.987 1.00 0.00 S ATOM 0 H CYS A 32 8.783 15.748 -14.815 1.00 0.00 H new ATOM 0 HA CYS A 32 7.892 12.922 -15.279 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.432 14.686 -16.217 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.809 15.351 -17.074 1.00 0.00 H new ATOM 0 HG CYS A 32 6.359 13.702 -18.888 1.00 0.00 H new ATOM 521 N ASN A 33 10.252 12.404 -15.992 1.00 0.00 N ATOM 522 CA ASN A 33 11.639 12.027 -16.303 1.00 0.00 C ATOM 523 C ASN A 33 12.645 12.984 -15.632 1.00 0.00 C ATOM 524 O ASN A 33 13.638 13.399 -16.231 1.00 0.00 O ATOM 525 CB ASN A 33 11.852 11.844 -17.826 1.00 0.00 C ATOM 526 CG ASN A 33 11.267 10.549 -18.386 1.00 0.00 C ATOM 527 OD1 ASN A 33 10.735 9.717 -17.657 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.347 10.342 -19.691 1.00 0.00 N ATOM 0 H ASN A 33 9.686 11.614 -15.683 1.00 0.00 H new ATOM 0 HA ASN A 33 11.837 11.047 -15.868 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.403 12.689 -18.349 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.921 11.869 -18.038 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.965 9.487 -20.096 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.790 11.037 -20.291 1.00 0.00 H new ATOM 535 N GLY A 34 12.365 13.367 -14.378 1.00 0.00 N ATOM 536 CA GLY A 34 13.239 14.208 -13.557 1.00 0.00 C ATOM 537 C GLY A 34 13.143 15.714 -13.835 1.00 0.00 C ATOM 538 O GLY A 34 13.677 16.494 -13.043 1.00 0.00 O ATOM 0 H GLY A 34 11.507 13.094 -13.899 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.004 14.033 -12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.271 13.891 -13.710 1.00 0.00 H new ATOM 542 N LYS A 35 12.455 16.154 -14.898 1.00 0.00 N ATOM 543 CA LYS A 35 12.234 17.577 -15.184 1.00 0.00 C ATOM 544 C LYS A 35 10.871 17.970 -14.624 1.00 0.00 C ATOM 545 O LYS A 35 9.914 17.219 -14.807 1.00 0.00 O ATOM 546 CB LYS A 35 12.312 17.833 -16.701 1.00 0.00 C ATOM 547 CG LYS A 35 13.710 17.540 -17.272 1.00 0.00 C ATOM 548 CD LYS A 35 13.756 17.808 -18.786 1.00 0.00 C ATOM 549 CE LYS A 35 15.115 17.459 -19.416 1.00 0.00 C ATOM 550 NZ LYS A 35 16.209 18.388 -19.012 1.00 0.00 N ATOM 0 H LYS A 35 12.035 15.529 -15.586 1.00 0.00 H new ATOM 0 HA LYS A 35 13.006 18.185 -14.713 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.576 17.211 -17.210 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.048 18.871 -16.906 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.450 18.161 -16.767 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.977 16.502 -17.075 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.974 17.228 -19.276 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.535 18.859 -18.970 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.388 16.442 -19.133 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.019 17.473 -20.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.097 18.099 -19.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.968 19.356 -19.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.326 18.358 -17.979 1.00 0.00 H new ATOM 564 N LYS A 36 10.742 19.115 -13.944 1.00 0.00 N ATOM 565 CA LYS A 36 9.425 19.577 -13.510 1.00 0.00 C ATOM 566 C LYS A 36 8.666 20.131 -14.715 1.00 0.00 C ATOM 567 O LYS A 36 9.285 20.676 -15.632 1.00 0.00 O ATOM 568 CB LYS A 36 9.481 20.467 -12.245 1.00 0.00 C ATOM 569 CG LYS A 36 9.051 21.943 -12.357 1.00 0.00 C ATOM 570 CD LYS A 36 10.068 22.867 -13.049 1.00 0.00 C ATOM 571 CE LYS A 36 11.307 23.125 -12.173 1.00 0.00 C ATOM 572 NZ LYS A 36 12.240 24.104 -12.793 1.00 0.00 N ATOM 0 H LYS A 36 11.518 19.726 -13.688 1.00 0.00 H new ATOM 0 HA LYS A 36 8.830 18.738 -13.148 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.858 19.998 -11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.506 20.449 -11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.109 21.991 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.858 22.326 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.379 22.420 -13.993 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.590 23.817 -13.288 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.990 23.495 -11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.831 22.185 -12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.059 24.247 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.564 23.740 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.750 25.010 -12.933 1.00 0.00 H new ATOM 586 N LEU A 37 7.342 19.991 -14.721 1.00 0.00 N ATOM 587 CA LEU A 37 6.456 20.568 -15.724 1.00 0.00 C ATOM 588 C LEU A 37 5.298 21.289 -15.037 1.00 0.00 C ATOM 589 O LEU A 37 5.111 21.162 -13.823 1.00 0.00 O ATOM 590 CB LEU A 37 6.051 19.530 -16.784 1.00 0.00 C ATOM 591 CG LEU A 37 5.385 18.253 -16.257 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.948 18.464 -15.777 1.00 0.00 C ATOM 593 CD2 LEU A 37 5.366 17.196 -17.366 1.00 0.00 C ATOM 0 H LEU A 37 6.844 19.458 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 37 6.983 21.331 -16.296 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.370 20.007 -17.488 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.942 19.246 -17.344 1.00 0.00 H new ATOM 0 HG LEU A 37 5.975 17.933 -15.398 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.542 17.518 -15.419 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.938 19.193 -14.967 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.339 18.831 -16.603 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.893 16.287 -16.994 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.804 17.574 -18.220 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.388 16.974 -17.674 1.00 0.00 H new ATOM 605 N GLU A 38 4.562 22.095 -15.803 1.00 0.00 N ATOM 606 CA GLU A 38 3.524 22.969 -15.273 1.00 0.00 C ATOM 607 C GLU A 38 2.305 22.160 -14.815 1.00 0.00 C ATOM 608 O GLU A 38 1.945 21.150 -15.423 1.00 0.00 O ATOM 609 CB GLU A 38 3.162 24.077 -16.278 1.00 0.00 C ATOM 610 CG GLU A 38 2.515 23.574 -17.581 1.00 0.00 C ATOM 611 CD GLU A 38 2.265 24.733 -18.564 1.00 0.00 C ATOM 612 OE1 GLU A 38 1.187 25.375 -18.492 1.00 0.00 O ATOM 613 OE2 GLU A 38 3.137 25.003 -19.427 1.00 0.00 O ATOM 0 H GLU A 38 4.673 22.157 -16.815 1.00 0.00 H new ATOM 0 HA GLU A 38 3.916 23.471 -14.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.480 24.778 -15.796 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.066 24.632 -16.528 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.162 22.831 -18.048 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.572 23.077 -17.353 1.00 0.00 H new ATOM 620 N THR A 39 1.656 22.639 -13.756 1.00 0.00 N ATOM 621 CA THR A 39 0.494 22.028 -13.117 1.00 0.00 C ATOM 622 C THR A 39 -0.535 23.115 -12.790 1.00 0.00 C ATOM 623 O THR A 39 -0.170 24.267 -12.533 1.00 0.00 O ATOM 624 CB THR A 39 0.915 21.235 -11.859 1.00 0.00 C ATOM 625 OG1 THR A 39 2.021 21.812 -11.171 1.00 0.00 O ATOM 626 CG2 THR A 39 1.284 19.793 -12.227 1.00 0.00 C ATOM 0 H THR A 39 1.940 23.505 -13.299 1.00 0.00 H new ATOM 0 HA THR A 39 0.034 21.315 -13.801 1.00 0.00 H new ATOM 0 HB THR A 39 0.050 21.261 -11.196 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.238 21.267 -10.386 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.577 19.252 -11.328 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.424 19.302 -12.682 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.114 19.799 -12.934 1.00 0.00 H new ATOM 634 N ALA A 40 -1.814 22.741 -12.778 1.00 0.00 N ATOM 635 CA ALA A 40 -2.918 23.562 -12.289 1.00 0.00 C ATOM 636 C ALA A 40 -3.679 22.709 -11.282 1.00 0.00 C ATOM 637 O ALA A 40 -3.870 21.521 -11.535 1.00 0.00 O ATOM 638 CB ALA A 40 -3.814 24.011 -13.447 1.00 0.00 C ATOM 0 H ALA A 40 -2.118 21.829 -13.119 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.556 24.475 -11.816 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.630 24.621 -13.060 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.227 24.596 -14.155 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.223 23.135 -13.951 1.00 0.00 H new ATOM 644 N GLY A 41 -4.086 23.281 -10.152 1.00 0.00 N ATOM 645 CA GLY A 41 -4.721 22.556 -9.064 1.00 0.00 C ATOM 646 C GLY A 41 -6.189 22.929 -9.087 1.00 0.00 C ATOM 647 O GLY A 41 -6.552 24.024 -8.647 1.00 0.00 O ATOM 0 H GLY A 41 -3.980 24.279 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.593 21.481 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.270 22.821 -8.108 1.00 0.00 H new ATOM 651 N GLU A 42 -7.018 22.052 -9.645 1.00 0.00 N ATOM 652 CA GLU A 42 -8.452 22.221 -9.675 1.00 0.00 C ATOM 653 C GLU A 42 -9.039 21.561 -8.426 1.00 0.00 C ATOM 654 O GLU A 42 -8.502 20.564 -7.933 1.00 0.00 O ATOM 655 CB GLU A 42 -8.986 21.612 -10.977 1.00 0.00 C ATOM 656 CG GLU A 42 -10.486 21.789 -11.202 1.00 0.00 C ATOM 657 CD GLU A 42 -10.916 23.269 -11.200 1.00 0.00 C ATOM 658 OE1 GLU A 42 -11.126 23.841 -10.104 1.00 0.00 O ATOM 659 OE2 GLU A 42 -11.045 23.869 -12.295 1.00 0.00 O ATOM 0 H GLU A 42 -6.699 21.193 -10.094 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.742 23.272 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.452 22.059 -11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.756 20.547 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.763 21.336 -12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.032 21.255 -10.424 1.00 0.00 H new ATOM 666 N PHE A 43 -10.153 22.088 -7.923 1.00 0.00 N ATOM 667 CA PHE A 43 -10.830 21.586 -6.736 1.00 0.00 C ATOM 668 C PHE A 43 -12.266 21.249 -7.121 1.00 0.00 C ATOM 669 O PHE A 43 -12.978 22.090 -7.679 1.00 0.00 O ATOM 670 CB PHE A 43 -10.778 22.624 -5.605 1.00 0.00 C ATOM 671 CG PHE A 43 -9.384 22.929 -5.079 1.00 0.00 C ATOM 672 CD1 PHE A 43 -8.610 23.948 -5.666 1.00 0.00 C ATOM 673 CD2 PHE A 43 -8.861 22.200 -3.991 1.00 0.00 C ATOM 674 CE1 PHE A 43 -7.322 24.232 -5.173 1.00 0.00 C ATOM 675 CE2 PHE A 43 -7.577 22.493 -3.490 1.00 0.00 C ATOM 676 CZ PHE A 43 -6.806 23.508 -4.083 1.00 0.00 C ATOM 0 H PHE A 43 -10.618 22.894 -8.341 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.333 20.690 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.227 23.551 -5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.393 22.270 -4.778 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.005 24.514 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.447 21.413 -3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.728 25.008 -5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.185 21.938 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.820 23.731 -3.703 1.00 0.00 H new ATOM 686 N VAL A 44 -12.697 20.021 -6.826 1.00 0.00 N ATOM 687 CA VAL A 44 -14.002 19.495 -7.151 1.00 0.00 C ATOM 688 C VAL A 44 -14.660 18.932 -5.884 1.00 0.00 C ATOM 689 O VAL A 44 -14.035 18.847 -4.822 1.00 0.00 O ATOM 690 CB VAL A 44 -13.846 18.466 -8.285 1.00 0.00 C ATOM 691 CG1 VAL A 44 -13.315 19.100 -9.578 1.00 0.00 C ATOM 692 CG2 VAL A 44 -12.983 17.257 -7.911 1.00 0.00 C ATOM 0 H VAL A 44 -12.113 19.346 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 44 -14.671 20.274 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.858 18.100 -8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.222 18.334 -10.348 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.007 19.872 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.338 19.546 -9.390 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.920 16.578 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.982 17.594 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.432 16.738 -7.064 1.00 0.00 H new ATOM 702 N ASP A 45 -15.917 18.505 -5.995 1.00 0.00 N ATOM 703 CA ASP A 45 -16.753 18.057 -4.876 1.00 0.00 C ATOM 704 C ASP A 45 -16.477 16.582 -4.539 1.00 0.00 C ATOM 705 O ASP A 45 -17.386 15.757 -4.412 1.00 0.00 O ATOM 706 CB ASP A 45 -18.231 18.362 -5.157 1.00 0.00 C ATOM 707 CG ASP A 45 -19.131 18.056 -3.942 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.758 18.402 -2.793 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.256 17.534 -4.139 1.00 0.00 O ATOM 0 H ASP A 45 -16.399 18.459 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.490 18.618 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.338 19.412 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.565 17.774 -6.012 1.00 0.00 H new ATOM 714 N ASP A 46 -15.189 16.233 -4.498 1.00 0.00 N ATOM 715 CA ASP A 46 -14.673 14.867 -4.376 1.00 0.00 C ATOM 716 C ASP A 46 -13.205 14.863 -3.929 1.00 0.00 C ATOM 717 O ASP A 46 -12.775 13.961 -3.204 1.00 0.00 O ATOM 718 CB ASP A 46 -14.779 14.174 -5.741 1.00 0.00 C ATOM 719 CG ASP A 46 -14.215 12.745 -5.723 1.00 0.00 C ATOM 720 OD1 ASP A 46 -14.785 11.880 -5.017 1.00 0.00 O ATOM 721 OD2 ASP A 46 -13.246 12.477 -6.470 1.00 0.00 O ATOM 0 H ASP A 46 -14.443 16.927 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.263 14.341 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.824 14.144 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.244 14.763 -6.486 1.00 0.00 H new ATOM 726 N GLY A 47 -12.429 15.884 -4.314 1.00 0.00 N ATOM 727 CA GLY A 47 -11.013 15.980 -4.009 1.00 0.00 C ATOM 728 C GLY A 47 -10.369 17.088 -4.834 1.00 0.00 C ATOM 729 O GLY A 47 -11.056 17.989 -5.327 1.00 0.00 O ATOM 0 H GLY A 47 -12.782 16.674 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.876 16.181 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.523 15.029 -4.219 1.00 0.00 H new ATOM 733 N THR A 48 -9.056 17.002 -5.010 1.00 0.00 N ATOM 734 CA THR A 48 -8.274 17.911 -5.834 1.00 0.00 C ATOM 735 C THR A 48 -7.896 17.150 -7.105 1.00 0.00 C ATOM 736 O THR A 48 -7.728 15.928 -7.067 1.00 0.00 O ATOM 737 CB THR A 48 -7.033 18.423 -5.073 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.231 18.479 -3.665 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.564 19.796 -5.560 1.00 0.00 C ATOM 0 H THR A 48 -8.491 16.276 -4.570 1.00 0.00 H new ATOM 0 HA THR A 48 -8.851 18.799 -6.090 1.00 0.00 H new ATOM 0 HB THR A 48 -6.258 17.687 -5.290 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.415 18.808 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.689 20.105 -4.989 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.306 19.738 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.363 20.524 -5.421 1.00 0.00 H new ATOM 747 N GLU A 49 -7.737 17.851 -8.220 1.00 0.00 N ATOM 748 CA GLU A 49 -7.273 17.296 -9.476 1.00 0.00 C ATOM 749 C GLU A 49 -6.158 18.215 -9.966 1.00 0.00 C ATOM 750 O GLU A 49 -6.410 19.339 -10.399 1.00 0.00 O ATOM 751 CB GLU A 49 -8.435 17.120 -10.473 1.00 0.00 C ATOM 752 CG GLU A 49 -9.446 16.085 -9.941 1.00 0.00 C ATOM 753 CD GLU A 49 -10.586 15.720 -10.909 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.046 16.569 -11.710 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.079 14.570 -10.810 1.00 0.00 O ATOM 0 H GLU A 49 -7.934 18.850 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.876 16.288 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.933 18.076 -10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.048 16.797 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.906 15.174 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.883 16.469 -9.019 1.00 0.00 H new ATOM 762 N THR A 50 -4.908 17.763 -9.845 1.00 0.00 N ATOM 763 CA THR A 50 -3.756 18.509 -10.331 1.00 0.00 C ATOM 764 C THR A 50 -3.579 18.130 -11.796 1.00 0.00 C ATOM 765 O THR A 50 -3.062 17.049 -12.073 1.00 0.00 O ATOM 766 CB THR A 50 -2.528 18.224 -9.455 1.00 0.00 C ATOM 767 OG1 THR A 50 -2.730 18.764 -8.158 1.00 0.00 O ATOM 768 CG2 THR A 50 -1.238 18.810 -10.042 1.00 0.00 C ATOM 0 H THR A 50 -4.671 16.872 -9.408 1.00 0.00 H new ATOM 0 HA THR A 50 -3.898 19.588 -10.266 1.00 0.00 H new ATOM 0 HB THR A 50 -2.413 17.141 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.945 18.579 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.401 18.579 -9.383 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.056 18.376 -11.025 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.339 19.891 -10.135 1.00 0.00 H new ATOM 776 N HIS A 51 -4.045 18.972 -12.714 1.00 0.00 N ATOM 777 CA HIS A 51 -4.041 18.726 -14.150 1.00 0.00 C ATOM 778 C HIS A 51 -2.690 19.114 -14.749 1.00 0.00 C ATOM 779 O HIS A 51 -2.072 20.088 -14.305 1.00 0.00 O ATOM 780 CB HIS A 51 -5.168 19.519 -14.828 1.00 0.00 C ATOM 781 CG HIS A 51 -6.556 19.021 -14.505 1.00 0.00 C ATOM 782 ND1 HIS A 51 -7.231 18.017 -15.165 1.00 0.00 N ATOM 783 CD2 HIS A 51 -7.407 19.516 -13.550 1.00 0.00 C ATOM 784 CE1 HIS A 51 -8.448 17.894 -14.606 1.00 0.00 C ATOM 785 NE2 HIS A 51 -8.608 18.797 -13.622 1.00 0.00 N ATOM 0 H HIS A 51 -4.450 19.876 -12.468 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.208 17.663 -14.322 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.091 20.565 -14.531 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.023 19.483 -15.908 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.190 20.320 -12.862 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.193 17.171 -14.905 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.437 18.932 -13.044 1.00 0.00 H new ATOM 793 N PHE A 52 -2.260 18.375 -15.777 1.00 0.00 N ATOM 794 CA PHE A 52 -1.118 18.678 -16.635 1.00 0.00 C ATOM 795 C PHE A 52 -1.293 17.923 -17.964 1.00 0.00 C ATOM 796 O PHE A 52 -2.321 17.282 -18.195 1.00 0.00 O ATOM 797 CB PHE A 52 0.206 18.342 -15.921 1.00 0.00 C ATOM 798 CG PHE A 52 0.366 16.941 -15.359 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.188 16.629 -14.103 1.00 0.00 C ATOM 800 CD2 PHE A 52 1.136 15.977 -16.041 1.00 0.00 C ATOM 801 CE1 PHE A 52 0.031 15.371 -13.523 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.364 14.720 -15.449 1.00 0.00 C ATOM 803 CZ PHE A 52 0.818 14.417 -14.191 1.00 0.00 C ATOM 0 H PHE A 52 -2.725 17.507 -16.043 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.075 19.745 -16.853 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.020 18.517 -16.624 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.335 19.049 -15.102 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.785 17.363 -13.583 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.549 16.202 -17.013 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.405 15.135 -12.563 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.963 13.984 -15.966 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.002 13.454 -13.738 1.00 0.00 H new ATOM 813 N SER A 53 -0.311 17.990 -18.859 1.00 0.00 N ATOM 814 CA SER A 53 -0.355 17.353 -20.170 1.00 0.00 C ATOM 815 C SER A 53 1.067 17.025 -20.635 1.00 0.00 C ATOM 816 O SER A 53 2.027 17.704 -20.255 1.00 0.00 O ATOM 817 CB SER A 53 -1.113 18.244 -21.174 1.00 0.00 C ATOM 818 OG SER A 53 -0.746 19.618 -21.063 1.00 0.00 O ATOM 0 H SER A 53 0.556 18.500 -18.688 1.00 0.00 H new ATOM 0 HA SER A 53 -0.903 16.413 -20.104 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.912 17.897 -22.188 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.186 18.142 -21.009 1.00 0.00 H new ATOM 0 HG SER A 53 -1.249 20.145 -21.719 1.00 0.00 H new ATOM 824 N ILE A 54 1.205 15.948 -21.414 1.00 0.00 N ATOM 825 CA ILE A 54 2.467 15.392 -21.896 1.00 0.00 C ATOM 826 C ILE A 54 2.176 14.924 -23.321 1.00 0.00 C ATOM 827 O ILE A 54 1.219 14.178 -23.529 1.00 0.00 O ATOM 828 CB ILE A 54 2.929 14.219 -20.987 1.00 0.00 C ATOM 829 CG1 ILE A 54 3.175 14.675 -19.529 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.212 13.555 -21.536 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.289 13.531 -18.525 1.00 0.00 C ATOM 0 H ILE A 54 0.398 15.416 -21.740 1.00 0.00 H new ATOM 0 HA ILE A 54 3.278 16.120 -21.877 1.00 0.00 H new ATOM 0 HB ILE A 54 2.117 13.492 -20.990 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.090 15.266 -19.495 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.360 15.332 -19.223 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.509 12.739 -20.878 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.020 13.164 -22.535 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.012 14.293 -21.582 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.461 13.937 -17.528 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.365 12.952 -18.527 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.122 12.885 -18.802 1.00 0.00 H new ATOM 843 N GLY A 55 2.983 15.339 -24.301 1.00 0.00 N ATOM 844 CA GLY A 55 2.746 14.989 -25.697 1.00 0.00 C ATOM 845 C GLY A 55 1.350 15.457 -26.117 1.00 0.00 C ATOM 846 O GLY A 55 0.996 16.623 -25.907 1.00 0.00 O ATOM 0 H GLY A 55 3.808 15.919 -24.149 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.502 15.453 -26.331 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.834 13.911 -25.832 1.00 0.00 H new ATOM 850 N ASN A 56 0.546 14.540 -26.668 1.00 0.00 N ATOM 851 CA ASN A 56 -0.844 14.781 -27.057 1.00 0.00 C ATOM 852 C ASN A 56 -1.831 14.184 -26.034 1.00 0.00 C ATOM 853 O ASN A 56 -2.958 13.823 -26.388 1.00 0.00 O ATOM 854 CB ASN A 56 -1.078 14.267 -28.491 1.00 0.00 C ATOM 855 CG ASN A 56 -2.394 14.771 -29.095 1.00 0.00 C ATOM 856 OD1 ASN A 56 -2.886 15.851 -28.768 1.00 0.00 O ATOM 857 ND2 ASN A 56 -2.973 14.029 -30.029 1.00 0.00 N ATOM 0 H ASN A 56 0.854 13.587 -26.859 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.035 15.854 -27.056 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.249 14.581 -29.125 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.080 13.177 -28.486 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.829 14.353 -30.479 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.562 13.135 -30.297 1.00 0.00 H new ATOM 864 N HIS A 57 -1.405 14.020 -24.777 1.00 0.00 N ATOM 865 CA HIS A 57 -2.167 13.376 -23.710 1.00 0.00 C ATOM 866 C HIS A 57 -2.355 14.367 -22.564 1.00 0.00 C ATOM 867 O HIS A 57 -1.451 15.155 -22.273 1.00 0.00 O ATOM 868 CB HIS A 57 -1.444 12.106 -23.220 1.00 0.00 C ATOM 869 CG HIS A 57 -0.920 11.225 -24.330 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.651 10.360 -25.115 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.374 11.181 -24.777 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.812 9.811 -26.012 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.438 10.287 -25.854 1.00 0.00 N ATOM 0 H HIS A 57 -0.489 14.344 -24.467 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.144 13.077 -24.091 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.612 12.399 -22.580 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.130 11.525 -22.604 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.203 11.740 -24.369 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.102 9.086 -26.758 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.262 10.046 -26.405 1.00 0.00 H new ATOM 881 N ASP A 58 -3.502 14.313 -21.885 1.00 0.00 N ATOM 882 CA ASP A 58 -3.735 15.046 -20.642 1.00 0.00 C ATOM 883 C ASP A 58 -3.695 14.072 -19.469 1.00 0.00 C ATOM 884 O ASP A 58 -4.048 12.894 -19.604 1.00 0.00 O ATOM 885 CB ASP A 58 -5.018 15.879 -20.658 1.00 0.00 C ATOM 886 CG ASP A 58 -6.242 15.098 -20.145 1.00 0.00 C ATOM 887 OD1 ASP A 58 -6.884 14.384 -20.952 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.576 15.220 -18.941 1.00 0.00 O ATOM 0 H ASP A 58 -4.301 13.755 -22.186 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.934 15.777 -20.529 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.876 16.768 -20.044 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.211 16.221 -21.675 1.00 0.00 H new ATOM 893 N CYS A 59 -3.232 14.569 -18.328 1.00 0.00 N ATOM 894 CA CYS A 59 -3.019 13.808 -17.112 1.00 0.00 C ATOM 895 C CYS A 59 -3.562 14.611 -15.941 1.00 0.00 C ATOM 896 O CYS A 59 -3.538 15.842 -15.979 1.00 0.00 O ATOM 897 CB CYS A 59 -1.523 13.582 -16.854 1.00 0.00 C ATOM 898 SG CYS A 59 -0.589 13.212 -18.369 1.00 0.00 S ATOM 0 H CYS A 59 -2.986 15.554 -18.225 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.519 12.845 -17.218 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.103 14.471 -16.383 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.402 12.760 -16.149 1.00 0.00 H new ATOM 0 HG CYS A 59 0.290 12.287 -18.122 1.00 0.00 H new ATOM 904 N TYR A 60 -4.003 13.950 -14.877 1.00 0.00 N ATOM 905 CA TYR A 60 -4.297 14.638 -13.643 1.00 0.00 C ATOM 906 C TYR A 60 -3.984 13.736 -12.464 1.00 0.00 C ATOM 907 O TYR A 60 -4.230 12.536 -12.519 1.00 0.00 O ATOM 908 CB TYR A 60 -5.722 15.212 -13.627 1.00 0.00 C ATOM 909 CG TYR A 60 -6.891 14.243 -13.575 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.169 13.525 -12.398 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.750 14.114 -14.683 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.291 12.684 -12.328 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.916 13.328 -14.597 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.199 12.614 -13.407 1.00 0.00 C ATOM 915 OH TYR A 60 -10.301 11.814 -13.295 1.00 0.00 O ATOM 0 H TYR A 60 -4.162 12.943 -14.852 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.650 15.511 -13.558 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.803 15.876 -12.766 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.841 15.829 -14.518 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.516 13.621 -11.543 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.513 14.622 -15.606 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.461 12.087 -11.444 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.593 13.270 -15.437 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.831 11.871 -14.117 1.00 0.00 H new ATOM 925 N ILE A 61 -3.439 14.294 -11.387 1.00 0.00 N ATOM 926 CA ILE A 61 -3.312 13.563 -10.133 1.00 0.00 C ATOM 927 C ILE A 61 -4.621 13.828 -9.405 1.00 0.00 C ATOM 928 O ILE A 61 -4.914 14.975 -9.073 1.00 0.00 O ATOM 929 CB ILE A 61 -2.053 13.993 -9.358 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.798 13.470 -10.092 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.062 13.501 -7.896 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.439 14.321 -9.800 1.00 0.00 C ATOM 0 H ILE A 61 -3.079 15.248 -11.359 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.166 12.491 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.040 15.082 -9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.607 12.440 -9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.985 13.460 -11.166 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.152 13.832 -7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.930 13.911 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.111 12.412 -7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.296 13.914 -10.338 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.260 15.346 -10.124 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.644 14.310 -8.730 1.00 0.00 H new ATOM 944 N LYS A 62 -5.418 12.783 -9.190 1.00 0.00 N ATOM 945 CA LYS A 62 -6.588 12.837 -8.328 1.00 0.00 C ATOM 946 C LYS A 62 -6.024 12.727 -6.923 1.00 0.00 C ATOM 947 O LYS A 62 -5.307 11.771 -6.634 1.00 0.00 O ATOM 948 CB LYS A 62 -7.541 11.674 -8.676 1.00 0.00 C ATOM 949 CG LYS A 62 -9.024 12.080 -8.688 1.00 0.00 C ATOM 950 CD LYS A 62 -9.894 10.877 -9.101 1.00 0.00 C ATOM 951 CE LYS A 62 -11.393 11.214 -9.143 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.799 11.970 -10.359 1.00 0.00 N ATOM 0 H LYS A 62 -5.265 11.869 -9.615 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.177 13.747 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.273 11.276 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.398 10.869 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.321 12.433 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.178 12.907 -9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.577 10.525 -10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.730 10.058 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.967 10.289 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.651 11.798 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.812 11.819 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.621 12.984 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.248 11.636 -11.175 1.00 0.00 H new ATOM 966 N ALA A 63 -6.321 13.693 -6.069 1.00 0.00 N ATOM 967 CA ALA A 63 -6.022 13.645 -4.658 1.00 0.00 C ATOM 968 C ALA A 63 -7.384 13.613 -3.980 1.00 0.00 C ATOM 969 O ALA A 63 -8.019 14.649 -3.793 1.00 0.00 O ATOM 970 CB ALA A 63 -5.169 14.853 -4.278 1.00 0.00 C ATOM 0 H ALA A 63 -6.790 14.554 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.436 12.778 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.943 14.818 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.240 14.836 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.715 15.769 -4.503 1.00 0.00 H new ATOM 976 N VAL A 64 -7.882 12.414 -3.721 1.00 0.00 N ATOM 977 CA VAL A 64 -9.239 12.168 -3.278 1.00 0.00 C ATOM 978 C VAL A 64 -9.266 12.252 -1.761 1.00 0.00 C ATOM 979 O VAL A 64 -8.533 11.508 -1.114 1.00 0.00 O ATOM 980 CB VAL A 64 -9.741 10.785 -3.759 1.00 0.00 C ATOM 981 CG1 VAL A 64 -11.261 10.829 -3.933 1.00 0.00 C ATOM 982 CG2 VAL A 64 -9.114 10.300 -5.078 1.00 0.00 C ATOM 0 H VAL A 64 -7.332 11.560 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.905 12.917 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.436 10.077 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.617 9.856 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.729 11.075 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.521 11.588 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.524 9.324 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.340 11.012 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.033 10.220 -4.959 1.00 0.00 H new ATOM 992 N SER A 65 -10.110 13.093 -1.175 1.00 0.00 N ATOM 993 CA SER A 65 -10.223 13.251 0.273 1.00 0.00 C ATOM 994 C SER A 65 -11.116 12.148 0.878 1.00 0.00 C ATOM 995 O SER A 65 -12.034 12.428 1.654 1.00 0.00 O ATOM 996 CB SER A 65 -10.700 14.676 0.595 1.00 0.00 C ATOM 997 OG SER A 65 -9.947 15.642 -0.135 1.00 0.00 O ATOM 0 H SER A 65 -10.746 13.694 -1.699 1.00 0.00 H new ATOM 0 HA SER A 65 -9.247 13.126 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.758 14.774 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.601 14.864 1.664 1.00 0.00 H new ATOM 0 HG SER A 65 -10.269 16.541 0.084 1.00 0.00 H new ATOM 1111 N ILE A 73 -6.040 11.457 2.375 1.00 0.00 N ATOM 1112 CA ILE A 73 -6.092 11.694 0.941 1.00 0.00 C ATOM 1113 C ILE A 73 -5.523 10.449 0.244 1.00 0.00 C ATOM 1114 O ILE A 73 -4.480 9.927 0.654 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.353 13.002 0.552 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.092 14.295 0.971 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.168 13.121 -0.968 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.216 14.508 2.475 1.00 0.00 C ATOM 0 HA ILE A 73 -7.120 11.846 0.613 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.405 12.922 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.570 15.150 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.092 14.281 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.647 14.050 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.582 12.276 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.143 13.121 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.748 15.439 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.767 13.677 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.222 14.560 2.918 1.00 0.00 H new ATOM 1130 N ILE A 74 -6.161 10.015 -0.847 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.657 8.985 -1.746 1.00 0.00 C ATOM 1132 C ILE A 74 -5.096 9.743 -2.948 1.00 0.00 C ATOM 1133 O ILE A 74 -5.847 10.488 -3.577 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.793 8.010 -2.124 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -7.491 7.417 -0.878 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -6.286 6.888 -3.045 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -6.615 6.583 0.065 1.00 0.00 C ATOM 0 H ILE A 74 -7.068 10.384 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.882 8.365 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.535 8.592 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.923 8.238 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.319 6.793 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.111 6.219 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.884 7.322 -3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.503 6.326 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.218 6.223 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.203 5.733 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.801 7.200 0.445 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.808 9.596 -3.269 1.00 0.00 N ATOM 1150 CA HIS A 75 -3.240 10.171 -4.487 1.00 0.00 C ATOM 1151 C HIS A 75 -3.207 9.087 -5.563 1.00 0.00 C ATOM 1152 O HIS A 75 -2.673 8.000 -5.323 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.837 10.747 -4.240 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.839 12.003 -3.405 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.854 12.083 -2.028 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.822 13.286 -3.882 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.859 13.386 -1.692 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.843 14.162 -2.791 1.00 0.00 N ATOM 0 H HIS A 75 -3.138 9.081 -2.698 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.863 11.002 -4.818 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.225 9.993 -3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.366 10.959 -5.200 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.797 13.573 -4.923 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.874 13.758 -0.678 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.846 15.182 -2.823 1.00 0.00 H new ATOM 1166 N THR A 76 -3.710 9.410 -6.756 1.00 0.00 N ATOM 1167 CA THR A 76 -3.681 8.534 -7.921 1.00 0.00 C ATOM 1168 C THR A 76 -3.349 9.371 -9.147 1.00 0.00 C ATOM 1169 O THR A 76 -3.834 10.496 -9.256 1.00 0.00 O ATOM 1170 CB THR A 76 -5.039 7.834 -8.122 1.00 0.00 C ATOM 1171 OG1 THR A 76 -5.600 7.408 -6.885 1.00 0.00 O ATOM 1172 CG2 THR A 76 -4.869 6.621 -9.040 1.00 0.00 C ATOM 0 H THR A 76 -4.158 10.308 -6.939 1.00 0.00 H new ATOM 0 HA THR A 76 -2.926 7.763 -7.769 1.00 0.00 H new ATOM 0 HB THR A 76 -5.717 8.557 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.461 6.970 -7.050 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.833 6.131 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.486 6.947 -10.007 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.166 5.920 -8.590 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.582 8.832 -10.092 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.398 9.468 -11.385 1.00 0.00 C ATOM 1182 C LEU A 77 -3.464 8.928 -12.325 1.00 0.00 C ATOM 1183 O LEU A 77 -3.643 7.719 -12.423 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.980 9.203 -11.899 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.733 9.729 -13.322 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.806 11.258 -13.396 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.652 9.277 -13.784 1.00 0.00 C ATOM 0 H LEU A 77 -2.078 7.952 -9.981 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.508 10.550 -11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.264 9.666 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.790 8.130 -11.879 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.515 9.326 -13.966 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.625 11.582 -14.421 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.795 11.591 -13.080 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.050 11.690 -12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.837 9.645 -14.793 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.409 9.675 -13.108 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.699 8.188 -13.781 1.00 0.00 H new ATOM 1199 N ILE A 78 -4.163 9.811 -13.021 1.00 0.00 N ATOM 1200 CA ILE A 78 -5.064 9.501 -14.108 1.00 0.00 C ATOM 1201 C ILE A 78 -4.408 10.074 -15.372 1.00 0.00 C ATOM 1202 O ILE A 78 -3.811 11.153 -15.321 1.00 0.00 O ATOM 1203 CB ILE A 78 -6.466 10.084 -13.815 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -7.356 9.170 -12.947 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -7.239 10.400 -15.102 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.792 8.897 -11.557 1.00 0.00 C ATOM 0 H ILE A 78 -4.111 10.812 -12.830 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.224 8.431 -14.239 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.258 10.997 -13.258 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.340 9.628 -12.846 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.498 8.221 -13.464 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.218 10.807 -14.848 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.684 11.131 -15.690 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.366 9.487 -15.684 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.474 8.248 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.821 8.410 -11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.677 9.838 -11.020 1.00 0.00 H new ATOM 1218 N VAL A 79 -4.531 9.392 -16.511 1.00 0.00 N ATOM 1219 CA VAL A 79 -4.082 9.853 -17.816 1.00 0.00 C ATOM 1220 C VAL A 79 -5.138 9.455 -18.836 1.00 0.00 C ATOM 1221 O VAL A 79 -5.596 8.316 -18.810 1.00 0.00 O ATOM 1222 CB VAL A 79 -2.702 9.261 -18.152 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -2.151 9.794 -19.482 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.696 9.561 -17.039 1.00 0.00 C ATOM 0 H VAL A 79 -4.963 8.469 -16.546 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.963 10.936 -17.825 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.841 8.184 -18.244 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.176 9.348 -19.677 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.836 9.535 -20.289 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.050 10.878 -19.426 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.728 9.133 -17.299 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.596 10.640 -16.920 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.047 9.124 -16.104 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.548 10.381 -19.707 1.00 0.00 N ATOM 1235 CA ASP A 80 -6.623 10.178 -20.688 1.00 0.00 C ATOM 1236 C ASP A 80 -7.893 9.593 -20.036 1.00 0.00 C ATOM 1237 O ASP A 80 -8.571 8.724 -20.585 1.00 0.00 O ATOM 1238 CB ASP A 80 -6.108 9.375 -21.895 1.00 0.00 C ATOM 1239 CG ASP A 80 -7.143 9.288 -23.033 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -7.793 10.312 -23.359 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -7.267 8.204 -23.652 1.00 0.00 O ATOM 0 H ASP A 80 -5.135 11.312 -19.753 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.932 11.148 -21.077 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.196 9.838 -22.273 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.844 8.368 -21.571 1.00 0.00 H new ATOM 1246 N ASN A 81 -8.188 10.047 -18.810 1.00 0.00 N ATOM 1247 CA ASN A 81 -9.270 9.584 -17.930 1.00 0.00 C ATOM 1248 C ASN A 81 -9.175 8.106 -17.488 1.00 0.00 C ATOM 1249 O ASN A 81 -10.122 7.588 -16.890 1.00 0.00 O ATOM 1250 CB ASN A 81 -10.652 9.966 -18.499 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.755 9.944 -17.434 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.554 10.357 -16.292 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -12.956 9.506 -17.788 1.00 0.00 N ATOM 0 H ASN A 81 -7.643 10.794 -18.379 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.135 10.125 -16.993 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.597 10.962 -18.939 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.913 9.277 -19.302 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.720 9.510 -17.112 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -13.116 9.165 -18.736 1.00 0.00 H new ATOM 1260 N ARG A 82 -8.056 7.411 -17.738 1.00 0.00 N ATOM 1261 CA ARG A 82 -7.763 6.080 -17.218 1.00 0.00 C ATOM 1262 C ARG A 82 -6.924 6.203 -15.962 1.00 0.00 C ATOM 1263 O ARG A 82 -6.140 7.137 -15.831 1.00 0.00 O ATOM 1264 CB ARG A 82 -7.025 5.235 -18.267 1.00 0.00 C ATOM 1265 CG ARG A 82 -7.988 4.678 -19.311 1.00 0.00 C ATOM 1266 CD ARG A 82 -8.509 5.694 -20.333 1.00 0.00 C ATOM 1267 NE ARG A 82 -9.320 5.055 -21.385 1.00 0.00 N ATOM 1268 CZ ARG A 82 -10.053 5.714 -22.294 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -10.063 7.046 -22.318 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -10.783 5.032 -23.174 1.00 0.00 N ATOM 0 H ARG A 82 -7.309 7.778 -18.328 1.00 0.00 H new ATOM 0 HA ARG A 82 -8.702 5.580 -16.981 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.266 5.844 -18.758 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.505 4.413 -17.774 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.488 3.872 -19.848 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.841 4.237 -18.795 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.108 6.448 -19.822 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.666 6.213 -20.790 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.324 4.036 -21.424 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.510 7.572 -21.641 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.623 7.539 -23.013 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.783 4.012 -23.155 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.342 5.529 -23.867 1.00 0.00 H new ATOM 1284 N GLU A 83 -7.071 5.253 -15.052 1.00 0.00 N ATOM 1285 CA GLU A 83 -6.384 5.246 -13.772 1.00 0.00 C ATOM 1286 C GLU A 83 -5.042 4.515 -13.899 1.00 0.00 C ATOM 1287 O GLU A 83 -4.977 3.445 -14.507 1.00 0.00 O ATOM 1288 CB GLU A 83 -7.326 4.647 -12.720 1.00 0.00 C ATOM 1289 CG GLU A 83 -6.677 4.570 -11.341 1.00 0.00 C ATOM 1290 CD GLU A 83 -7.674 4.069 -10.277 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -8.457 4.888 -9.737 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -7.674 2.851 -9.971 1.00 0.00 O ATOM 0 H GLU A 83 -7.684 4.449 -15.186 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.136 6.256 -13.446 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.232 5.251 -12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.629 3.648 -13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.817 3.902 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.304 5.554 -11.057 1.00 0.00 H new ATOM 1299 N ILE A 84 -3.984 5.085 -13.310 1.00 0.00 N ATOM 1300 CA ILE A 84 -2.610 4.597 -13.357 1.00 0.00 C ATOM 1301 C ILE A 84 -2.206 4.243 -11.910 1.00 0.00 C ATOM 1302 O ILE A 84 -2.133 5.147 -11.071 1.00 0.00 O ATOM 1303 CB ILE A 84 -1.687 5.667 -14.004 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -2.204 6.206 -15.356 1.00 0.00 C ATOM 1305 CG2 ILE A 84 -0.240 5.162 -14.144 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -2.408 5.162 -16.457 1.00 0.00 C ATOM 0 H ILE A 84 -4.073 5.941 -12.762 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.513 3.706 -13.978 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.702 6.508 -13.311 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.153 6.715 -15.184 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.501 6.956 -15.719 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.374 5.939 -14.600 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.157 4.918 -13.159 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.225 4.271 -14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.772 5.652 -17.360 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.460 4.668 -16.670 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.137 4.422 -16.126 1.00 0.00 H new ATOM 1318 N PRO A 85 -1.962 2.962 -11.581 1.00 0.00 N ATOM 1319 CA PRO A 85 -1.548 2.549 -10.247 1.00 0.00 C ATOM 1320 C PRO A 85 -0.064 2.872 -10.007 1.00 0.00 C ATOM 1321 O PRO A 85 0.740 2.859 -10.943 1.00 0.00 O ATOM 1322 CB PRO A 85 -1.830 1.045 -10.182 1.00 0.00 C ATOM 1323 CG PRO A 85 -1.643 0.595 -11.629 1.00 0.00 C ATOM 1324 CD PRO A 85 -2.137 1.796 -12.437 1.00 0.00 C ATOM 0 HA PRO A 85 -2.090 3.081 -9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.141 0.534 -9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.838 0.839 -9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.600 0.365 -11.847 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.220 -0.303 -11.849 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.569 1.903 -13.361 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.183 1.673 -12.718 1.00 0.00 H new ATOM 1332 N GLU A 86 0.299 3.151 -8.748 1.00 0.00 N ATOM 1333 CA GLU A 86 1.681 3.376 -8.319 1.00 0.00 C ATOM 1334 C GLU A 86 2.569 2.184 -8.695 1.00 0.00 C ATOM 1335 O GLU A 86 2.105 1.040 -8.802 1.00 0.00 O ATOM 1336 CB GLU A 86 1.739 3.577 -6.797 1.00 0.00 C ATOM 1337 CG GLU A 86 1.855 5.056 -6.447 1.00 0.00 C ATOM 1338 CD GLU A 86 2.086 5.229 -4.939 1.00 0.00 C ATOM 1339 OE1 GLU A 86 1.157 4.968 -4.138 1.00 0.00 O ATOM 1340 OE2 GLU A 86 3.194 5.671 -4.551 1.00 0.00 O ATOM 0 H GLU A 86 -0.375 3.228 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 86 2.046 4.270 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.843 3.160 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.591 3.034 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.679 5.505 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.947 5.580 -6.745 1.00 0.00 H new