USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 794 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 44 THR OG1 : rot 54:sc= 0.998 USER MOD Set 1.2: A 46 GLN : amide:sc= 0 K(o=1,f=-0.029) USER MOD Single : A 17 GLN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.039) USER MOD Single : A 27 ASN : amide:sc= -0.567 K(o=-0.57,f=-1.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.527 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-3.5!) USER MOD Single : A 57 ASN : amide:sc= -3.89! C(o=-3.9!,f=-9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.3) USER MOD Single : A 67 CYS SG : rot -28:sc= 0.111 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -1.69! C(o=-3.6!,f=-1.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-1) USER MOD Single : A 95 CYS SG : rot -41:sc= -0.775 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0717 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -158:sc= -0.27 (180deg=-1.19) USER MOD Single : A 113 ASN : amide:sc= -0.445 K(o=-0.44,f=-2.4) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -16:sc= 0.842 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.656 6.405 9.064 1.00 0.00 N ATOM 67 CA LEU A 8 -1.168 5.081 8.730 1.00 0.00 C ATOM 68 C LEU A 8 -2.339 5.179 7.757 1.00 0.00 C ATOM 69 O LEU A 8 -3.197 6.052 7.889 1.00 0.00 O ATOM 70 CB LEU A 8 -1.605 4.346 9.999 1.00 0.00 C ATOM 71 CG LEU A 8 -2.180 2.944 9.799 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.062 1.916 9.716 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.144 2.597 10.924 1.00 0.00 C ATOM 0 HA LEU A 8 -0.367 4.520 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.746 4.273 10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.353 4.954 10.508 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.731 2.929 8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.490 0.924 9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.410 2.154 8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.483 1.932 10.640 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.543 1.595 10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.617 2.630 11.878 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.963 3.316 10.936 1.00 0.00 H new ATOM 85 N VAL A 9 -2.368 4.277 6.782 1.00 0.00 N ATOM 86 CA VAL A 9 -3.435 4.259 5.788 1.00 0.00 C ATOM 87 C VAL A 9 -4.457 3.171 6.098 1.00 0.00 C ATOM 88 O VAL A 9 -5.647 3.447 6.250 1.00 0.00 O ATOM 89 CB VAL A 9 -2.878 4.036 4.370 1.00 0.00 C ATOM 90 CG1 VAL A 9 -4.012 3.842 3.375 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.990 5.201 3.958 1.00 0.00 C ATOM 0 H VAL A 9 -1.665 3.549 6.659 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.922 5.233 5.829 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.272 3.130 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.599 3.686 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.604 2.973 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.647 4.728 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.605 5.027 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.571 6.123 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.157 5.288 4.656 1.00 0.00 H new ATOM 101 N ARG A 10 -3.984 1.932 6.191 1.00 0.00 N ATOM 102 CA ARG A 10 -4.856 0.801 6.482 1.00 0.00 C ATOM 103 C ARG A 10 -4.078 -0.327 7.154 1.00 0.00 C ATOM 104 O ARG A 10 -2.853 -0.388 7.064 1.00 0.00 O ATOM 105 CB ARG A 10 -5.509 0.289 5.197 1.00 0.00 C ATOM 106 CG ARG A 10 -6.361 -0.953 5.399 1.00 0.00 C ATOM 107 CD ARG A 10 -7.026 -1.390 4.103 1.00 0.00 C ATOM 108 NE ARG A 10 -7.943 -0.376 3.589 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.206 -0.259 3.984 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.699 -1.088 4.893 1.00 0.00 N ATOM 111 NH2 ARG A 10 -9.978 0.689 3.470 1.00 0.00 N ATOM 0 H ARG A 10 -3.002 1.687 6.069 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.633 1.141 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.129 1.080 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.730 0.070 4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.740 -1.763 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.124 -0.754 6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.261 -1.599 3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.570 -2.319 4.270 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.595 0.278 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.108 -1.818 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.669 -0.996 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.602 1.329 2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.948 0.778 3.774 1.00 0.00 H new ATOM 125 N GLY A 11 -4.800 -1.218 7.827 1.00 0.00 N ATOM 126 CA GLY A 11 -4.161 -2.331 8.505 1.00 0.00 C ATOM 127 C GLY A 11 -4.822 -3.658 8.190 1.00 0.00 C ATOM 128 O GLY A 11 -4.864 -4.081 7.036 1.00 0.00 O ATOM 0 H GLY A 11 -5.816 -1.189 7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.111 -2.374 8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.189 -2.161 9.581 1.00 0.00 H new ATOM 132 N GLY A 12 -5.340 -4.318 9.222 1.00 0.00 N ATOM 133 CA GLY A 12 -5.994 -5.600 9.030 1.00 0.00 C ATOM 134 C GLY A 12 -5.005 -6.734 8.849 1.00 0.00 C ATOM 135 O GLY A 12 -3.793 -6.523 8.894 1.00 0.00 O ATOM 0 H GLY A 12 -5.318 -3.988 10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.631 -5.811 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.644 -5.546 8.156 1.00 0.00 H new ATOM 139 N TRP A 13 -5.522 -7.940 8.646 1.00 0.00 N ATOM 140 CA TRP A 13 -4.675 -9.113 8.460 1.00 0.00 C ATOM 141 C TRP A 13 -4.809 -9.663 7.044 1.00 0.00 C ATOM 142 O TRP A 13 -5.836 -9.475 6.390 1.00 0.00 O ATOM 143 CB TRP A 13 -5.038 -10.196 9.477 1.00 0.00 C ATOM 144 CG TRP A 13 -4.687 -9.828 10.887 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.253 -8.840 11.641 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.690 -10.443 11.711 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.668 -8.803 12.884 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.707 -9.777 12.952 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.787 -11.492 11.522 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.854 -10.126 13.996 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.941 -11.838 12.558 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.980 -11.157 13.783 1.00 0.00 C ATOM 0 H TRP A 13 -6.523 -8.132 8.606 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.639 -8.810 8.616 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.108 -10.397 9.417 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.525 -11.120 9.212 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.044 -8.184 11.309 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.910 -8.156 13.634 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.751 -12.023 10.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.881 -9.602 14.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.238 -12.646 12.422 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.307 -11.452 14.574 1.00 0.00 H new ATOM 163 N LEU A 14 -3.768 -10.342 6.576 1.00 0.00 N ATOM 164 CA LEU A 14 -3.770 -10.920 5.237 1.00 0.00 C ATOM 165 C LEU A 14 -2.910 -12.178 5.185 1.00 0.00 C ATOM 166 O LEU A 14 -1.884 -12.269 5.858 1.00 0.00 O ATOM 167 CB LEU A 14 -3.261 -9.898 4.219 1.00 0.00 C ATOM 168 CG LEU A 14 -4.151 -8.676 3.990 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.432 -7.643 3.138 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.464 -9.087 3.339 1.00 0.00 C ATOM 0 H LEU A 14 -2.911 -10.506 7.104 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.795 -11.193 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.279 -9.552 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.122 -10.405 3.264 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.373 -8.226 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.081 -6.781 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.520 -7.326 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.178 -8.081 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.085 -8.205 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.261 -9.562 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.988 -9.789 3.988 1.00 0.00 H new ATOM 182 N TRP A 15 -3.336 -13.146 4.381 1.00 0.00 N ATOM 183 CA TRP A 15 -2.603 -14.399 4.240 1.00 0.00 C ATOM 184 C TRP A 15 -1.441 -14.244 3.265 1.00 0.00 C ATOM 185 O TRP A 15 -1.634 -13.851 2.114 1.00 0.00 O ATOM 186 CB TRP A 15 -3.540 -15.511 3.763 1.00 0.00 C ATOM 187 CG TRP A 15 -4.507 -15.963 4.815 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.843 -15.684 4.874 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.213 -16.774 5.958 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.397 -16.272 5.986 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.418 -16.947 6.667 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.050 -17.372 6.451 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.490 -17.692 7.841 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.123 -18.110 7.616 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.336 -18.266 8.301 1.00 0.00 C ATOM 0 H TRP A 15 -4.184 -13.087 3.817 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.200 -14.667 5.217 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.097 -15.160 2.894 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.944 -16.363 3.436 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.384 -15.089 4.153 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.378 -16.215 6.260 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.111 -17.259 5.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.424 -17.813 8.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.230 -18.575 8.006 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.360 -18.850 9.209 1.00 0.00 H new ATOM 206 N ARG A 16 -0.237 -14.554 3.732 1.00 0.00 N ATOM 207 CA ARG A 16 0.956 -14.448 2.900 1.00 0.00 C ATOM 208 C ARG A 16 1.498 -15.830 2.548 1.00 0.00 C ATOM 209 O ARG A 16 1.492 -16.739 3.377 1.00 0.00 O ATOM 210 CB ARG A 16 2.034 -13.633 3.618 1.00 0.00 C ATOM 211 CG ARG A 16 3.390 -13.680 2.934 1.00 0.00 C ATOM 212 CD ARG A 16 4.239 -12.471 3.297 1.00 0.00 C ATOM 213 NE ARG A 16 5.661 -12.712 3.065 1.00 0.00 N ATOM 214 CZ ARG A 16 6.196 -12.844 1.857 1.00 0.00 C ATOM 215 NH1 ARG A 16 5.433 -12.758 0.777 1.00 0.00 N ATOM 216 NH2 ARG A 16 7.499 -13.061 1.727 1.00 0.00 N ATOM 0 H ARG A 16 -0.061 -14.881 4.682 1.00 0.00 H new ATOM 0 HA ARG A 16 0.680 -13.939 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.707 -12.595 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.138 -14.003 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.912 -14.592 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.253 -13.718 1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.916 -11.612 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.080 -12.218 4.345 1.00 0.00 H new ATOM 0 HE ARG A 16 6.277 -12.783 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.431 -12.590 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.847 -12.860 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.090 -13.127 2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.909 -13.162 0.799 1.00 0.00 H new ATOM 230 N GLN A 17 1.966 -15.979 1.313 1.00 0.00 N ATOM 231 CA GLN A 17 2.511 -17.250 0.851 1.00 0.00 C ATOM 232 C GLN A 17 3.996 -17.122 0.531 1.00 0.00 C ATOM 233 O GLN A 17 4.492 -16.027 0.265 1.00 0.00 O ATOM 234 CB GLN A 17 1.751 -17.736 -0.384 1.00 0.00 C ATOM 235 CG GLN A 17 1.853 -19.236 -0.611 1.00 0.00 C ATOM 236 CD GLN A 17 1.434 -19.645 -2.009 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.246 -20.133 -2.795 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.160 -19.447 -2.327 1.00 0.00 N ATOM 0 H GLN A 17 1.979 -15.236 0.615 1.00 0.00 H new ATOM 0 HA GLN A 17 2.393 -17.980 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.701 -17.463 -0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.133 -17.217 -1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.880 -19.557 -0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.228 -19.753 0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.479 -19.040 -1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.180 -19.702 -3.254 1.00 0.00 H new ATOM 331 N ARG A 23 3.324 -21.974 1.550 1.00 0.00 N ATOM 332 CA ARG A 23 2.347 -22.103 2.624 1.00 0.00 C ATOM 333 C ARG A 23 1.818 -20.734 3.045 1.00 0.00 C ATOM 334 O ARG A 23 2.573 -19.765 3.127 1.00 0.00 O ATOM 335 CB ARG A 23 2.969 -22.813 3.827 1.00 0.00 C ATOM 336 CG ARG A 23 2.821 -24.325 3.785 1.00 0.00 C ATOM 337 CD ARG A 23 3.978 -25.018 4.489 1.00 0.00 C ATOM 338 NE ARG A 23 3.721 -26.441 4.693 1.00 0.00 N ATOM 339 CZ ARG A 23 2.816 -26.910 5.545 1.00 0.00 C ATOM 340 NH1 ARG A 23 2.085 -26.072 6.268 1.00 0.00 N ATOM 341 NH2 ARG A 23 2.641 -28.218 5.675 1.00 0.00 N ATOM 0 HA ARG A 23 1.513 -22.698 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.028 -22.561 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.507 -22.436 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.882 -24.613 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.772 -24.658 2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.887 -24.895 3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.155 -24.540 5.452 1.00 0.00 H new ATOM 0 HE ARG A 23 4.266 -27.112 4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.217 -25.065 6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.391 -26.434 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.202 -28.865 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.946 -28.577 6.329 1.00 0.00 H new ATOM 355 N TRP A 24 0.519 -20.664 3.309 1.00 0.00 N ATOM 356 CA TRP A 24 -0.111 -19.414 3.721 1.00 0.00 C ATOM 357 C TRP A 24 0.135 -19.143 5.201 1.00 0.00 C ATOM 358 O TRP A 24 0.186 -20.068 6.013 1.00 0.00 O ATOM 359 CB TRP A 24 -1.614 -19.460 3.441 1.00 0.00 C ATOM 360 CG TRP A 24 -1.946 -19.454 1.980 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.322 -20.525 1.220 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.930 -18.323 1.102 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.541 -20.127 -0.077 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.308 -18.781 -0.175 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.635 -16.967 1.271 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.397 -17.931 -1.274 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.724 -16.125 0.179 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.102 -16.609 -1.080 1.00 0.00 C ATOM 0 H TRP A 24 -0.119 -21.457 3.245 1.00 0.00 H new ATOM 0 HA TRP A 24 0.334 -18.604 3.144 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.034 -20.356 3.898 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.092 -18.604 3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.431 -21.536 1.585 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.830 -20.736 -0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.343 -16.584 2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.689 -18.302 -2.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.498 -15.076 0.298 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.162 -15.925 -1.914 1.00 0.00 H new ATOM 379 N LYS A 25 0.286 -17.870 5.548 1.00 0.00 N ATOM 380 CA LYS A 25 0.525 -17.476 6.931 1.00 0.00 C ATOM 381 C LYS A 25 -0.116 -16.125 7.231 1.00 0.00 C ATOM 382 O LYS A 25 -0.041 -15.199 6.423 1.00 0.00 O ATOM 383 CB LYS A 25 2.028 -17.412 7.213 1.00 0.00 C ATOM 384 CG LYS A 25 2.756 -16.358 6.396 1.00 0.00 C ATOM 385 CD LYS A 25 4.264 -16.500 6.520 1.00 0.00 C ATOM 386 CE LYS A 25 4.807 -17.541 5.553 1.00 0.00 C ATOM 387 NZ LYS A 25 5.059 -16.967 4.203 1.00 0.00 N ATOM 0 H LYS A 25 0.247 -17.092 4.889 1.00 0.00 H new ATOM 0 HA LYS A 25 0.071 -18.226 7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.182 -17.209 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.469 -18.387 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.466 -16.444 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.454 -15.365 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.738 -15.538 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.521 -16.781 7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.733 -17.956 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.098 -18.365 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.507 -17.685 3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.157 -16.670 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.689 -16.144 4.288 1.00 0.00 H new ATOM 401 N ARG A 26 -0.745 -16.019 8.397 1.00 0.00 N ATOM 402 CA ARG A 26 -1.399 -14.781 8.803 1.00 0.00 C ATOM 403 C ARG A 26 -0.369 -13.699 9.115 1.00 0.00 C ATOM 404 O ARG A 26 0.575 -13.927 9.870 1.00 0.00 O ATOM 405 CB ARG A 26 -2.285 -15.024 10.026 1.00 0.00 C ATOM 406 CG ARG A 26 -3.710 -15.421 9.676 1.00 0.00 C ATOM 407 CD ARG A 26 -4.368 -16.192 10.810 1.00 0.00 C ATOM 408 NE ARG A 26 -4.484 -15.387 12.023 1.00 0.00 N ATOM 409 CZ ARG A 26 -5.278 -15.701 13.040 1.00 0.00 C ATOM 410 NH1 ARG A 26 -6.023 -16.797 12.990 1.00 0.00 N ATOM 411 NH2 ARG A 26 -5.328 -14.918 14.111 1.00 0.00 N ATOM 0 H ARG A 26 -0.815 -16.776 9.077 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.020 -14.440 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.838 -15.808 10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.308 -14.119 10.633 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.294 -14.528 9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.707 -16.031 8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.359 -16.522 10.497 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.787 -17.089 11.024 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.924 -14.537 12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.987 -17.401 12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.632 -17.036 13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.756 -14.074 14.153 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.938 -15.160 14.892 1.00 0.00 H new ATOM 425 N ASN A 27 -0.559 -12.521 8.529 1.00 0.00 N ATOM 426 CA ASN A 27 0.354 -11.405 8.743 1.00 0.00 C ATOM 427 C ASN A 27 -0.406 -10.083 8.796 1.00 0.00 C ATOM 428 O ASN A 27 -1.455 -9.933 8.169 1.00 0.00 O ATOM 429 CB ASN A 27 1.406 -11.357 7.633 1.00 0.00 C ATOM 430 CG ASN A 27 2.634 -12.182 7.964 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.909 -13.194 7.319 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.380 -11.752 8.975 1.00 0.00 N ATOM 0 H ASN A 27 -1.337 -12.315 7.902 1.00 0.00 H new ATOM 0 HA ASN A 27 0.853 -11.556 9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.967 -11.721 6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.702 -10.322 7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.219 -12.266 9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.114 -10.908 9.482 1.00 0.00 H new ATOM 439 N TRP A 28 0.131 -9.128 9.547 1.00 0.00 N ATOM 440 CA TRP A 28 -0.497 -7.818 9.681 1.00 0.00 C ATOM 441 C TRP A 28 0.209 -6.785 8.809 1.00 0.00 C ATOM 442 O TRP A 28 1.276 -6.284 9.164 1.00 0.00 O ATOM 443 CB TRP A 28 -0.479 -7.368 11.143 1.00 0.00 C ATOM 444 CG TRP A 28 -1.280 -6.126 11.392 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.636 -6.038 11.524 1.00 0.00 C ATOM 446 CD2 TRP A 28 -0.774 -4.795 11.536 1.00 0.00 C ATOM 447 NE1 TRP A 28 -3.004 -4.733 11.742 1.00 0.00 N ATOM 448 CE2 TRP A 28 -1.880 -3.950 11.755 1.00 0.00 C ATOM 449 CE3 TRP A 28 0.506 -4.234 11.504 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -1.742 -2.577 11.939 1.00 0.00 C ATOM 451 CZ3 TRP A 28 0.641 -2.871 11.686 1.00 0.00 C ATOM 452 CH2 TRP A 28 -0.478 -2.055 11.902 1.00 0.00 C ATOM 0 H TRP A 28 0.999 -9.236 10.072 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.531 -7.902 9.347 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.866 -8.173 11.768 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.552 -7.194 11.450 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.319 -6.872 11.466 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.959 -4.401 11.873 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.374 -4.855 11.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.603 -1.946 12.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.625 -2.427 11.661 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.340 -0.993 12.042 1.00 0.00 H new ATOM 463 N PHE A 29 -0.394 -6.469 7.668 1.00 0.00 N ATOM 464 CA PHE A 29 0.178 -5.496 6.745 1.00 0.00 C ATOM 465 C PHE A 29 -0.351 -4.094 7.037 1.00 0.00 C ATOM 466 O PHE A 29 -1.526 -3.917 7.355 1.00 0.00 O ATOM 467 CB PHE A 29 -0.141 -5.883 5.299 1.00 0.00 C ATOM 468 CG PHE A 29 0.673 -7.040 4.795 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.429 -8.326 5.250 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.683 -6.842 3.867 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.176 -9.393 4.788 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.433 -7.905 3.401 1.00 0.00 C ATOM 473 CZ PHE A 29 2.180 -9.182 3.863 1.00 0.00 C ATOM 0 H PHE A 29 -1.279 -6.873 7.360 1.00 0.00 H new ATOM 0 HA PHE A 29 1.259 -5.494 6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.199 -6.133 5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.030 -5.021 4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.354 -8.496 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.886 -5.845 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.975 -10.391 5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.216 -7.738 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.766 -10.014 3.502 1.00 0.00 H new ATOM 483 N ALA A 30 0.527 -3.102 6.927 1.00 0.00 N ATOM 484 CA ALA A 30 0.149 -1.717 7.177 1.00 0.00 C ATOM 485 C ALA A 30 0.928 -0.764 6.276 1.00 0.00 C ATOM 486 O ALA A 30 2.159 -0.781 6.255 1.00 0.00 O ATOM 487 CB ALA A 30 0.373 -1.365 8.640 1.00 0.00 C ATOM 0 H ALA A 30 1.505 -3.232 6.666 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.911 -1.608 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.087 -0.328 8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.233 -2.018 9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.426 -1.497 8.889 1.00 0.00 H new ATOM 493 N LEU A 31 0.203 0.065 5.533 1.00 0.00 N ATOM 494 CA LEU A 31 0.827 1.025 4.629 1.00 0.00 C ATOM 495 C LEU A 31 1.048 2.364 5.325 1.00 0.00 C ATOM 496 O LEU A 31 0.168 2.862 6.027 1.00 0.00 O ATOM 497 CB LEU A 31 -0.041 1.222 3.384 1.00 0.00 C ATOM 498 CG LEU A 31 0.320 2.412 2.496 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.572 2.114 1.686 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.841 2.763 1.576 1.00 0.00 C ATOM 0 H LEU A 31 -0.817 0.092 5.539 1.00 0.00 H new ATOM 0 HA LEU A 31 1.797 0.627 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.012 0.315 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.078 1.333 3.702 1.00 0.00 H new ATOM 0 HG LEU A 31 0.522 3.270 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.813 2.973 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.403 1.913 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.398 1.242 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.566 3.613 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.075 1.907 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.715 3.021 2.175 1.00 0.00 H new ATOM 512 N TRP A 32 2.227 2.941 5.124 1.00 0.00 N ATOM 513 CA TRP A 32 2.563 4.224 5.731 1.00 0.00 C ATOM 514 C TRP A 32 2.540 5.340 4.693 1.00 0.00 C ATOM 515 O TRP A 32 2.872 5.124 3.527 1.00 0.00 O ATOM 516 CB TRP A 32 3.942 4.154 6.391 1.00 0.00 C ATOM 517 CG TRP A 32 4.062 3.050 7.398 1.00 0.00 C ATOM 518 CD1 TRP A 32 4.825 1.923 7.291 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.398 2.969 8.664 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.675 1.145 8.414 1.00 0.00 N ATOM 521 CE2 TRP A 32 3.806 1.765 9.272 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.500 3.796 9.344 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.344 1.371 10.525 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.043 3.403 10.587 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.466 2.200 11.168 1.00 0.00 C ATOM 0 H TRP A 32 2.966 2.541 4.546 1.00 0.00 H new ATOM 0 HA TRP A 32 1.814 4.445 6.492 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.700 4.017 5.620 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.152 5.106 6.879 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.454 1.679 6.448 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.136 0.251 8.581 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.169 4.726 8.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.667 0.443 10.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.347 4.034 11.120 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.092 1.922 12.142 1.00 0.00 H new ATOM 536 N LEU A 33 2.145 6.534 5.123 1.00 0.00 N ATOM 537 CA LEU A 33 2.078 7.685 4.229 1.00 0.00 C ATOM 538 C LEU A 33 3.419 7.919 3.542 1.00 0.00 C ATOM 539 O LEU A 33 3.470 8.330 2.382 1.00 0.00 O ATOM 540 CB LEU A 33 1.665 8.936 5.007 1.00 0.00 C ATOM 541 CG LEU A 33 0.251 8.929 5.588 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.327 10.336 5.602 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.647 7.991 4.794 1.00 0.00 C ATOM 0 H LEU A 33 1.867 6.730 6.084 1.00 0.00 H new ATOM 0 HA LEU A 33 1.330 7.477 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.371 9.081 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.761 9.798 4.347 1.00 0.00 H new ATOM 0 HG LEU A 33 0.303 8.568 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.334 10.312 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.303 10.982 6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.365 10.724 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.650 7.999 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.692 8.322 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.243 6.979 4.834 1.00 0.00 H new ATOM 555 N ASP A 34 4.502 7.653 4.263 1.00 0.00 N ATOM 556 CA ASP A 34 5.845 7.832 3.722 1.00 0.00 C ATOM 557 C ASP A 34 5.979 7.148 2.365 1.00 0.00 C ATOM 558 O ASP A 34 6.890 7.447 1.595 1.00 0.00 O ATOM 559 CB ASP A 34 6.887 7.276 4.693 1.00 0.00 C ATOM 560 CG ASP A 34 6.911 8.027 6.009 1.00 0.00 C ATOM 561 OD1 ASP A 34 7.498 9.129 6.054 1.00 0.00 O ATOM 562 OD2 ASP A 34 6.343 7.514 6.996 1.00 0.00 O ATOM 0 H ASP A 34 4.477 7.312 5.224 1.00 0.00 H new ATOM 0 HA ASP A 34 6.018 8.900 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.677 6.223 4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.873 7.326 4.231 1.00 0.00 H new ATOM 567 N GLY A 35 5.064 6.226 2.080 1.00 0.00 N ATOM 568 CA GLY A 35 5.099 5.512 0.816 1.00 0.00 C ATOM 569 C GLY A 35 5.788 4.167 0.929 1.00 0.00 C ATOM 570 O GLY A 35 6.394 3.688 -0.030 1.00 0.00 O ATOM 0 H GLY A 35 4.300 5.961 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.080 5.366 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.615 6.120 0.073 1.00 0.00 H new ATOM 574 N THR A 36 5.697 3.554 2.105 1.00 0.00 N ATOM 575 CA THR A 36 6.319 2.257 2.341 1.00 0.00 C ATOM 576 C THR A 36 5.296 1.237 2.828 1.00 0.00 C ATOM 577 O THR A 36 4.205 1.599 3.270 1.00 0.00 O ATOM 578 CB THR A 36 7.457 2.359 3.374 1.00 0.00 C ATOM 579 OG1 THR A 36 7.026 3.127 4.504 1.00 0.00 O ATOM 580 CG2 THR A 36 8.691 3.003 2.759 1.00 0.00 C ATOM 0 H THR A 36 5.198 3.935 2.909 1.00 0.00 H new ATOM 0 HA THR A 36 6.732 1.927 1.388 1.00 0.00 H new ATOM 0 HB THR A 36 7.715 1.351 3.697 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.755 3.186 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.481 3.064 3.508 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.034 2.401 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.443 4.006 2.411 1.00 0.00 H new ATOM 588 N LEU A 37 5.655 -0.039 2.746 1.00 0.00 N ATOM 589 CA LEU A 37 4.768 -1.113 3.179 1.00 0.00 C ATOM 590 C LEU A 37 5.497 -2.081 4.105 1.00 0.00 C ATOM 591 O LEU A 37 6.468 -2.724 3.708 1.00 0.00 O ATOM 592 CB LEU A 37 4.216 -1.866 1.967 1.00 0.00 C ATOM 593 CG LEU A 37 2.926 -2.653 2.197 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.719 -1.730 2.132 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.797 -3.775 1.177 1.00 0.00 C ATOM 0 H LEU A 37 6.554 -0.355 2.384 1.00 0.00 H new ATOM 0 HA LEU A 37 3.940 -0.667 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.042 -1.147 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.982 -2.557 1.614 1.00 0.00 H new ATOM 0 HG LEU A 37 2.966 -3.096 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.810 -2.308 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.806 -0.962 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.675 -1.258 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.873 -4.325 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.780 -3.353 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.646 -4.452 1.271 1.00 0.00 H new ATOM 607 N GLY A 38 5.020 -2.181 5.342 1.00 0.00 N ATOM 608 CA GLY A 38 5.638 -3.075 6.305 1.00 0.00 C ATOM 609 C GLY A 38 4.662 -4.095 6.857 1.00 0.00 C ATOM 610 O GLY A 38 3.505 -3.775 7.129 1.00 0.00 O ATOM 0 H GLY A 38 4.217 -1.660 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.472 -3.593 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.051 -2.490 7.127 1.00 0.00 H new ATOM 614 N TYR A 39 5.128 -5.328 7.022 1.00 0.00 N ATOM 615 CA TYR A 39 4.288 -6.400 7.541 1.00 0.00 C ATOM 616 C TYR A 39 4.926 -7.049 8.766 1.00 0.00 C ATOM 617 O TYR A 39 5.993 -7.656 8.676 1.00 0.00 O ATOM 618 CB TYR A 39 4.044 -7.455 6.461 1.00 0.00 C ATOM 619 CG TYR A 39 5.299 -7.870 5.726 1.00 0.00 C ATOM 620 CD1 TYR A 39 6.080 -8.923 6.184 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.703 -7.208 4.573 1.00 0.00 C ATOM 622 CE1 TYR A 39 7.228 -9.305 5.516 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.848 -7.584 3.898 1.00 0.00 C ATOM 624 CZ TYR A 39 7.608 -8.632 4.374 1.00 0.00 C ATOM 625 OH TYR A 39 8.749 -9.010 3.705 1.00 0.00 O ATOM 0 H TYR A 39 6.084 -5.610 6.804 1.00 0.00 H new ATOM 0 HA TYR A 39 3.333 -5.966 7.838 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.594 -8.335 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.323 -7.067 5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.785 -9.453 7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.112 -6.386 4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.824 -10.126 5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.147 -7.060 3.002 1.00 0.00 H new ATOM 0 HH TYR A 39 8.874 -8.435 2.921 1.00 0.00 H new ATOM 635 N TYR A 40 4.264 -6.915 9.910 1.00 0.00 N ATOM 636 CA TYR A 40 4.766 -7.486 11.154 1.00 0.00 C ATOM 637 C TYR A 40 4.015 -8.766 11.509 1.00 0.00 C ATOM 638 O TYR A 40 3.070 -9.155 10.823 1.00 0.00 O ATOM 639 CB TYR A 40 4.636 -6.473 12.293 1.00 0.00 C ATOM 640 CG TYR A 40 5.187 -5.106 11.954 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.540 -4.282 11.042 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.355 -4.640 12.545 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.040 -3.033 10.729 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.862 -3.392 12.239 1.00 0.00 C ATOM 645 CZ TYR A 40 6.201 -2.592 11.330 1.00 0.00 C ATOM 646 OH TYR A 40 6.703 -1.349 11.021 1.00 0.00 O ATOM 0 H TYR A 40 3.379 -6.416 10.001 1.00 0.00 H new ATOM 0 HA TYR A 40 5.819 -7.732 11.012 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.584 -6.375 12.562 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.155 -6.857 13.171 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.631 -4.624 10.570 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.876 -5.264 13.256 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.525 -2.405 10.017 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.770 -3.045 12.709 1.00 0.00 H new ATOM 0 HH TYR A 40 7.525 -1.192 11.532 1.00 0.00 H new ATOM 656 N HIS A 41 4.444 -9.416 12.586 1.00 0.00 N ATOM 657 CA HIS A 41 3.812 -10.652 13.034 1.00 0.00 C ATOM 658 C HIS A 41 2.390 -10.390 13.520 1.00 0.00 C ATOM 659 O HIS A 41 1.455 -11.099 13.146 1.00 0.00 O ATOM 660 CB HIS A 41 4.635 -11.294 14.151 1.00 0.00 C ATOM 661 CG HIS A 41 5.764 -12.143 13.652 1.00 0.00 C ATOM 662 ND1 HIS A 41 5.780 -13.517 13.764 1.00 0.00 N ATOM 663 CD2 HIS A 41 6.919 -11.804 13.033 1.00 0.00 C ATOM 664 CE1 HIS A 41 6.897 -13.987 13.238 1.00 0.00 C ATOM 665 NE2 HIS A 41 7.605 -12.968 12.786 1.00 0.00 N ATOM 0 H HIS A 41 5.226 -9.108 13.164 1.00 0.00 H new ATOM 0 HA HIS A 41 3.767 -11.336 12.187 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.037 -10.509 14.792 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.978 -11.905 14.770 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.241 -10.805 12.780 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.182 -15.027 13.186 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.514 -13.035 12.328 1.00 0.00 H new ATOM 674 N ASP A 42 2.234 -9.369 14.356 1.00 0.00 N ATOM 675 CA ASP A 42 0.926 -9.014 14.893 1.00 0.00 C ATOM 676 C ASP A 42 0.857 -7.524 15.215 1.00 0.00 C ATOM 677 O ASP A 42 1.798 -6.778 14.947 1.00 0.00 O ATOM 678 CB ASP A 42 0.626 -9.834 16.148 1.00 0.00 C ATOM 679 CG ASP A 42 1.685 -9.661 17.220 1.00 0.00 C ATOM 680 OD1 ASP A 42 2.846 -10.049 16.975 1.00 0.00 O ATOM 681 OD2 ASP A 42 1.352 -9.136 18.302 1.00 0.00 O ATOM 0 H ASP A 42 2.997 -8.773 14.676 1.00 0.00 H new ATOM 0 HA ASP A 42 0.176 -9.239 14.134 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.344 -9.538 16.548 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.553 -10.888 15.881 1.00 0.00 H new ATOM 686 N GLU A 43 -0.264 -7.099 15.790 1.00 0.00 N ATOM 687 CA GLU A 43 -0.455 -5.698 16.146 1.00 0.00 C ATOM 688 C GLU A 43 0.859 -5.068 16.598 1.00 0.00 C ATOM 689 O GLU A 43 1.172 -3.932 16.240 1.00 0.00 O ATOM 690 CB GLU A 43 -1.503 -5.569 17.253 1.00 0.00 C ATOM 691 CG GLU A 43 -2.196 -4.217 17.281 1.00 0.00 C ATOM 692 CD GLU A 43 -1.379 -3.157 17.993 1.00 0.00 C ATOM 693 OE1 GLU A 43 -0.809 -3.465 19.060 1.00 0.00 O ATOM 694 OE2 GLU A 43 -1.309 -2.019 17.483 1.00 0.00 O ATOM 0 H GLU A 43 -1.053 -7.704 16.019 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.806 -5.169 15.260 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.253 -6.350 17.124 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.024 -5.742 18.217 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.393 -3.893 16.259 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.162 -4.318 17.775 1.00 0.00 H new ATOM 701 N THR A 44 1.625 -5.813 17.389 1.00 0.00 N ATOM 702 CA THR A 44 2.904 -5.328 17.892 1.00 0.00 C ATOM 703 C THR A 44 3.914 -5.166 16.762 1.00 0.00 C ATOM 704 O THR A 44 4.538 -6.135 16.331 1.00 0.00 O ATOM 705 CB THR A 44 3.487 -6.279 18.954 1.00 0.00 C ATOM 706 OG1 THR A 44 3.945 -7.485 18.332 1.00 0.00 O ATOM 707 CG2 THR A 44 2.447 -6.611 20.013 1.00 0.00 C ATOM 0 H THR A 44 1.381 -6.755 17.695 1.00 0.00 H new ATOM 0 HA THR A 44 2.716 -4.356 18.349 1.00 0.00 H new ATOM 0 HB THR A 44 4.326 -5.778 19.437 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.566 -7.264 17.607 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.882 -7.284 20.752 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.122 -5.694 20.504 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.590 -7.094 19.543 1.00 0.00 H new ATOM 715 N ALA A 45 4.070 -3.935 16.286 1.00 0.00 N ATOM 716 CA ALA A 45 5.006 -3.646 15.207 1.00 0.00 C ATOM 717 C ALA A 45 6.425 -3.482 15.741 1.00 0.00 C ATOM 718 O ALA A 45 7.140 -2.558 15.355 1.00 0.00 O ATOM 719 CB ALA A 45 4.576 -2.395 14.455 1.00 0.00 C ATOM 0 H ALA A 45 3.560 -3.122 16.631 1.00 0.00 H new ATOM 0 HA ALA A 45 4.999 -4.491 14.518 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.285 -2.192 13.652 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.583 -2.548 14.033 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.552 -1.548 15.141 1.00 0.00 H new ATOM 725 N GLN A 46 6.825 -4.385 16.630 1.00 0.00 N ATOM 726 CA GLN A 46 8.159 -4.339 17.218 1.00 0.00 C ATOM 727 C GLN A 46 9.093 -5.326 16.525 1.00 0.00 C ATOM 728 O GLN A 46 10.299 -5.094 16.434 1.00 0.00 O ATOM 729 CB GLN A 46 8.091 -4.647 18.714 1.00 0.00 C ATOM 730 CG GLN A 46 7.336 -5.926 19.039 1.00 0.00 C ATOM 731 CD GLN A 46 7.317 -6.232 20.523 1.00 0.00 C ATOM 732 OE1 GLN A 46 8.037 -5.612 21.306 1.00 0.00 O ATOM 733 NE2 GLN A 46 6.490 -7.193 20.919 1.00 0.00 N ATOM 0 H GLN A 46 6.245 -5.157 16.959 1.00 0.00 H new ATOM 0 HA GLN A 46 8.555 -3.333 17.080 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.105 -4.724 19.107 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.613 -3.812 19.227 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.312 -5.841 18.677 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.794 -6.759 18.506 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.911 -7.681 20.236 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.434 -7.443 21.906 1.00 0.00 H new ATOM 742 N ASP A 47 8.529 -6.426 16.039 1.00 0.00 N ATOM 743 CA ASP A 47 9.312 -7.448 15.354 1.00 0.00 C ATOM 744 C ASP A 47 9.426 -7.137 13.865 1.00 0.00 C ATOM 745 O ASP A 47 9.279 -8.024 13.024 1.00 0.00 O ATOM 746 CB ASP A 47 8.677 -8.825 15.554 1.00 0.00 C ATOM 747 CG ASP A 47 9.694 -9.947 15.476 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.404 -10.034 14.453 1.00 0.00 O ATOM 749 OD2 ASP A 47 9.778 -10.740 16.438 1.00 0.00 O ATOM 0 H ASP A 47 7.533 -6.633 16.107 1.00 0.00 H new ATOM 0 HA ASP A 47 10.314 -7.453 15.783 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.180 -8.856 16.524 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.909 -8.981 14.797 1.00 0.00 H new ATOM 754 N GLU A 48 9.687 -5.873 13.547 1.00 0.00 N ATOM 755 CA GLU A 48 9.819 -5.447 12.159 1.00 0.00 C ATOM 756 C GLU A 48 10.484 -6.532 11.317 1.00 0.00 C ATOM 757 O GLU A 48 11.699 -6.715 11.371 1.00 0.00 O ATOM 758 CB GLU A 48 10.630 -4.152 12.075 1.00 0.00 C ATOM 759 CG GLU A 48 10.906 -3.698 10.651 1.00 0.00 C ATOM 760 CD GLU A 48 11.939 -2.591 10.582 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.739 -1.550 11.242 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.948 -2.765 9.867 1.00 0.00 O ATOM 0 H GLU A 48 9.811 -5.127 14.231 1.00 0.00 H new ATOM 0 HA GLU A 48 8.819 -5.268 11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.094 -3.363 12.602 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.579 -4.293 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.251 -4.549 10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.977 -3.352 10.197 1.00 0.00 H new ATOM 769 N GLU A 49 9.677 -7.248 10.541 1.00 0.00 N ATOM 770 CA GLU A 49 10.187 -8.316 9.689 1.00 0.00 C ATOM 771 C GLU A 49 10.893 -7.744 8.463 1.00 0.00 C ATOM 772 O GLU A 49 12.055 -8.055 8.201 1.00 0.00 O ATOM 773 CB GLU A 49 9.047 -9.237 9.250 1.00 0.00 C ATOM 774 CG GLU A 49 8.763 -10.364 10.230 1.00 0.00 C ATOM 775 CD GLU A 49 7.947 -11.483 9.612 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.547 -12.377 8.981 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.707 -11.463 9.761 1.00 0.00 O ATOM 0 H GLU A 49 8.668 -7.108 10.485 1.00 0.00 H new ATOM 0 HA GLU A 49 10.909 -8.893 10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.142 -8.644 9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.291 -9.665 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.707 -10.768 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.230 -9.964 11.093 1.00 0.00 H new ATOM 784 N ASP A 50 10.182 -6.906 7.715 1.00 0.00 N ATOM 785 CA ASP A 50 10.739 -6.290 6.517 1.00 0.00 C ATOM 786 C ASP A 50 9.963 -5.032 6.142 1.00 0.00 C ATOM 787 O ASP A 50 8.963 -4.695 6.777 1.00 0.00 O ATOM 788 CB ASP A 50 10.723 -7.281 5.353 1.00 0.00 C ATOM 789 CG ASP A 50 11.762 -8.373 5.507 1.00 0.00 C ATOM 790 OD1 ASP A 50 11.491 -9.352 6.233 1.00 0.00 O ATOM 791 OD2 ASP A 50 12.848 -8.249 4.902 1.00 0.00 O ATOM 0 H ASP A 50 9.219 -6.638 7.918 1.00 0.00 H new ATOM 0 HA ASP A 50 11.770 -6.009 6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.734 -7.733 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.900 -6.745 4.421 1.00 0.00 H new ATOM 796 N ARG A 51 10.430 -4.340 5.108 1.00 0.00 N ATOM 797 CA ARG A 51 9.780 -3.118 4.650 1.00 0.00 C ATOM 798 C ARG A 51 10.078 -2.863 3.175 1.00 0.00 C ATOM 799 O ARG A 51 11.234 -2.700 2.784 1.00 0.00 O ATOM 800 CB ARG A 51 10.243 -1.924 5.488 1.00 0.00 C ATOM 801 CG ARG A 51 9.298 -0.735 5.428 1.00 0.00 C ATOM 802 CD ARG A 51 9.841 0.448 6.214 1.00 0.00 C ATOM 803 NE ARG A 51 11.107 0.931 5.671 1.00 0.00 N ATOM 804 CZ ARG A 51 12.289 0.418 5.995 1.00 0.00 C ATOM 805 NH1 ARG A 51 12.366 -0.588 6.855 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.398 0.912 5.458 1.00 0.00 N ATOM 0 H ARG A 51 11.256 -4.605 4.572 1.00 0.00 H new ATOM 0 HA ARG A 51 8.704 -3.242 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.351 -2.239 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.229 -1.611 5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.144 -0.443 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.325 -1.022 5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.110 1.256 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.980 0.158 7.255 1.00 0.00 H new ATOM 0 HE ARG A 51 11.083 1.705 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.516 -0.970 7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.275 -0.980 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.343 1.686 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.305 0.518 5.707 1.00 0.00 H new ATOM 820 N VAL A 52 9.028 -2.833 2.361 1.00 0.00 N ATOM 821 CA VAL A 52 9.177 -2.598 0.930 1.00 0.00 C ATOM 822 C VAL A 52 8.692 -1.204 0.548 1.00 0.00 C ATOM 823 O VAL A 52 7.926 -0.578 1.282 1.00 0.00 O ATOM 824 CB VAL A 52 8.401 -3.643 0.106 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.909 -5.044 0.406 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.908 -3.537 0.383 1.00 0.00 C ATOM 0 H VAL A 52 8.065 -2.969 2.668 1.00 0.00 H new ATOM 0 HA VAL A 52 10.240 -2.684 0.704 1.00 0.00 H new ATOM 0 HB VAL A 52 8.566 -3.442 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.349 -5.768 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.967 -5.109 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.776 -5.260 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.375 -4.282 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.721 -3.712 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.558 -2.541 0.112 1.00 0.00 H new ATOM 836 N VAL A 53 9.142 -0.722 -0.606 1.00 0.00 N ATOM 837 CA VAL A 53 8.753 0.599 -1.087 1.00 0.00 C ATOM 838 C VAL A 53 7.445 0.536 -1.866 1.00 0.00 C ATOM 839 O VAL A 53 7.217 -0.392 -2.643 1.00 0.00 O ATOM 840 CB VAL A 53 9.844 1.213 -1.984 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.455 2.620 -2.411 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.185 1.216 -1.266 1.00 0.00 C ATOM 0 H VAL A 53 9.776 -1.226 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 53 8.619 1.230 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 53 9.940 0.601 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.238 3.038 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.518 2.586 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.330 3.247 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.944 1.653 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.107 1.804 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.467 0.193 -1.017 1.00 0.00 H new ATOM 852 N ILE A 54 6.588 1.529 -1.654 1.00 0.00 N ATOM 853 CA ILE A 54 5.302 1.587 -2.339 1.00 0.00 C ATOM 854 C ILE A 54 5.286 2.698 -3.383 1.00 0.00 C ATOM 855 O ILE A 54 4.734 2.533 -4.472 1.00 0.00 O ATOM 856 CB ILE A 54 4.146 1.813 -1.347 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.881 0.540 -0.540 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.891 2.249 -2.087 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.422 -0.627 -1.386 1.00 0.00 C ATOM 0 H ILE A 54 6.761 2.304 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 54 5.163 0.625 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 54 4.430 2.606 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.792 0.259 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.125 0.750 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.083 2.405 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.088 3.179 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.602 1.476 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.253 -1.495 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.494 -0.365 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.187 -0.864 -2.125 1.00 0.00 H new ATOM 871 N HIS A 55 5.895 3.830 -3.045 1.00 0.00 N ATOM 872 CA HIS A 55 5.953 4.969 -3.955 1.00 0.00 C ATOM 873 C HIS A 55 6.675 4.596 -5.246 1.00 0.00 C ATOM 874 O HIS A 55 7.839 4.193 -5.224 1.00 0.00 O ATOM 875 CB HIS A 55 6.657 6.149 -3.285 1.00 0.00 C ATOM 876 CG HIS A 55 6.375 7.465 -3.941 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.336 8.437 -4.123 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.231 7.968 -4.462 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.796 9.481 -4.726 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.519 9.222 -4.943 1.00 0.00 N ATOM 0 H HIS A 55 6.355 3.983 -2.148 1.00 0.00 H new ATOM 0 HA HIS A 55 4.931 5.258 -4.201 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.349 6.200 -2.241 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.732 5.972 -3.292 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.271 7.475 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.311 10.391 -4.996 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.855 9.851 -5.394 1.00 0.00 H new ATOM 889 N PHE A 56 5.978 4.733 -6.369 1.00 0.00 N ATOM 890 CA PHE A 56 6.553 4.409 -7.670 1.00 0.00 C ATOM 891 C PHE A 56 7.437 3.169 -7.580 1.00 0.00 C ATOM 892 O PHE A 56 8.558 3.154 -8.088 1.00 0.00 O ATOM 893 CB PHE A 56 7.366 5.592 -8.201 1.00 0.00 C ATOM 894 CG PHE A 56 6.554 6.841 -8.389 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.513 6.874 -9.303 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.832 7.981 -7.653 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.765 8.023 -9.479 1.00 0.00 C ATOM 898 CE2 PHE A 56 6.087 9.133 -7.825 1.00 0.00 C ATOM 899 CZ PHE A 56 5.051 9.153 -8.738 1.00 0.00 C ATOM 0 H PHE A 56 5.015 5.066 -6.405 1.00 0.00 H new ATOM 0 HA PHE A 56 5.735 4.201 -8.360 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.183 5.800 -7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.817 5.314 -9.154 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.284 5.993 -9.884 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.640 7.970 -6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.957 8.037 -10.196 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.315 10.016 -7.246 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.466 10.051 -8.872 1.00 0.00 H new ATOM 909 N ASN A 57 6.924 2.129 -6.930 1.00 0.00 N ATOM 910 CA ASN A 57 7.667 0.884 -6.772 1.00 0.00 C ATOM 911 C ASN A 57 6.850 -0.304 -7.273 1.00 0.00 C ATOM 912 O ASN A 57 7.402 -1.280 -7.780 1.00 0.00 O ATOM 913 CB ASN A 57 8.045 0.674 -5.305 1.00 0.00 C ATOM 914 CG ASN A 57 9.338 -0.103 -5.146 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.412 0.376 -5.510 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.239 -1.310 -4.601 1.00 0.00 N ATOM 0 H ASN A 57 5.997 2.124 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 57 8.577 0.955 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.144 1.643 -4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.240 0.142 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.074 -1.880 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.328 -1.667 -4.314 1.00 0.00 H new ATOM 923 N VAL A 58 5.532 -0.212 -7.127 1.00 0.00 N ATOM 924 CA VAL A 58 4.639 -1.277 -7.566 1.00 0.00 C ATOM 925 C VAL A 58 4.568 -1.344 -9.087 1.00 0.00 C ATOM 926 O VAL A 58 4.173 -0.380 -9.743 1.00 0.00 O ATOM 927 CB VAL A 58 3.217 -1.084 -7.005 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.260 -2.098 -7.614 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.224 -1.191 -5.488 1.00 0.00 C ATOM 0 H VAL A 58 5.059 0.589 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 58 5.050 -2.211 -7.183 1.00 0.00 H new ATOM 0 HB VAL A 58 2.871 -0.086 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.261 -1.946 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.233 -1.969 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.599 -3.106 -7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.212 -1.052 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.590 -2.175 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.876 -0.423 -5.072 1.00 0.00 H new ATOM 939 N ARG A 59 4.954 -2.488 -9.642 1.00 0.00 N ATOM 940 CA ARG A 59 4.936 -2.681 -11.087 1.00 0.00 C ATOM 941 C ARG A 59 3.540 -3.067 -11.567 1.00 0.00 C ATOM 942 O ARG A 59 3.063 -2.569 -12.587 1.00 0.00 O ATOM 943 CB ARG A 59 5.942 -3.759 -11.493 1.00 0.00 C ATOM 944 CG ARG A 59 5.903 -4.104 -12.972 1.00 0.00 C ATOM 945 CD ARG A 59 6.886 -5.213 -13.312 1.00 0.00 C ATOM 946 NE ARG A 59 7.068 -5.360 -14.754 1.00 0.00 N ATOM 947 CZ ARG A 59 7.488 -6.481 -15.331 1.00 0.00 C ATOM 948 NH1 ARG A 59 7.768 -7.546 -14.593 1.00 0.00 N ATOM 949 NH2 ARG A 59 7.629 -6.537 -16.649 1.00 0.00 N ATOM 0 H ARG A 59 5.283 -3.295 -9.113 1.00 0.00 H new ATOM 0 HA ARG A 59 5.216 -1.738 -11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.946 -3.423 -11.234 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.748 -4.661 -10.913 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.895 -4.413 -13.248 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.137 -3.216 -13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.848 -5.001 -12.845 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.529 -6.154 -12.894 1.00 0.00 H new ATOM 0 HE ARG A 59 6.861 -4.559 -15.350 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.661 -7.506 -13.579 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.090 -8.405 -15.039 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.415 -5.719 -17.220 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.951 -7.398 -17.091 1.00 0.00 H new ATOM 963 N ASP A 60 2.891 -3.957 -10.824 1.00 0.00 N ATOM 964 CA ASP A 60 1.549 -4.410 -11.173 1.00 0.00 C ATOM 965 C ASP A 60 0.874 -5.078 -9.979 1.00 0.00 C ATOM 966 O ASP A 60 1.518 -5.364 -8.969 1.00 0.00 O ATOM 967 CB ASP A 60 1.606 -5.382 -12.352 1.00 0.00 C ATOM 968 CG ASP A 60 0.230 -5.852 -12.782 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.508 -5.048 -13.390 1.00 0.00 O ATOM 970 OD2 ASP A 60 -0.108 -7.023 -12.513 1.00 0.00 O ATOM 0 H ASP A 60 3.272 -4.379 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 60 0.961 -3.538 -11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.101 -4.899 -13.194 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.213 -6.245 -12.078 1.00 0.00 H new ATOM 975 N ILE A 61 -0.426 -5.324 -10.102 1.00 0.00 N ATOM 976 CA ILE A 61 -1.188 -5.958 -9.033 1.00 0.00 C ATOM 977 C ILE A 61 -2.297 -6.839 -9.597 1.00 0.00 C ATOM 978 O ILE A 61 -3.176 -6.365 -10.318 1.00 0.00 O ATOM 979 CB ILE A 61 -1.808 -4.913 -8.087 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.710 -4.156 -7.337 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.760 -5.583 -7.108 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.237 -3.055 -6.444 1.00 0.00 C ATOM 0 H ILE A 61 -0.974 -5.094 -10.931 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.488 -6.575 -8.470 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.375 -4.197 -8.683 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.141 -4.862 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.017 -3.726 -8.060 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.190 -4.831 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.558 -6.080 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.215 -6.318 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.403 -2.562 -5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.781 -2.327 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.907 -3.481 -5.697 1.00 0.00 H new ATOM 994 N LYS A 62 -2.253 -8.124 -9.262 1.00 0.00 N ATOM 995 CA LYS A 62 -3.255 -9.073 -9.731 1.00 0.00 C ATOM 996 C LYS A 62 -4.232 -9.429 -8.615 1.00 0.00 C ATOM 997 O LYS A 62 -3.853 -9.508 -7.447 1.00 0.00 O ATOM 998 CB LYS A 62 -2.580 -10.342 -10.256 1.00 0.00 C ATOM 999 CG LYS A 62 -1.750 -10.116 -11.508 1.00 0.00 C ATOM 1000 CD LYS A 62 -1.157 -11.415 -12.026 1.00 0.00 C ATOM 1001 CE LYS A 62 -0.465 -11.217 -13.366 1.00 0.00 C ATOM 1002 NZ LYS A 62 -0.518 -12.446 -14.205 1.00 0.00 N ATOM 0 H LYS A 62 -1.533 -8.532 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.812 -8.603 -10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.940 -10.753 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.345 -11.089 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.372 -9.665 -12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.948 -9.410 -11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.443 -11.805 -11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.946 -12.160 -12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.937 -10.392 -13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.575 -10.936 -13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.036 -12.270 -15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.045 -13.227 -13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.510 -12.701 -14.386 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.491 -9.643 -8.983 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.522 -9.993 -8.013 1.00 0.00 C ATOM 1018 C VAL A 63 -7.515 -10.989 -8.602 1.00 0.00 C ATOM 1019 O VAL A 63 -7.940 -10.853 -9.748 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.287 -8.745 -7.532 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.403 -9.139 -6.576 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.335 -7.758 -6.875 1.00 0.00 C ATOM 0 H VAL A 63 -5.822 -9.580 -9.946 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.015 -10.449 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.737 -8.259 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.932 -8.245 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.099 -9.806 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.978 -9.648 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.892 -6.882 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.855 -8.231 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.575 -7.452 -7.594 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.882 -11.990 -7.808 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.823 -12.995 -8.267 1.00 0.00 C ATOM 1034 C GLY A 64 -8.261 -13.846 -9.389 1.00 0.00 C ATOM 1035 O GLY A 64 -7.134 -14.332 -9.301 1.00 0.00 O ATOM 0 H GLY A 64 -7.544 -12.123 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.100 -13.638 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.735 -12.505 -8.608 1.00 0.00 H new ATOM 1039 N GLN A 65 -9.049 -14.027 -10.444 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.623 -14.828 -11.586 1.00 0.00 C ATOM 1041 C GLN A 65 -7.244 -14.394 -12.070 1.00 0.00 C ATOM 1042 O GLN A 65 -6.414 -15.227 -12.433 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.637 -14.710 -12.724 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.838 -13.285 -13.215 1.00 0.00 C ATOM 1045 CD GLN A 65 -11.135 -13.108 -13.980 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -11.870 -14.069 -14.209 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -11.424 -11.875 -14.380 1.00 0.00 N ATOM 0 H GLN A 65 -9.985 -13.630 -10.532 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.565 -15.869 -11.267 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.308 -15.330 -13.558 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.595 -15.108 -12.389 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.828 -12.606 -12.362 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.002 -13.004 -13.855 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.786 -11.108 -14.168 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.284 -11.695 -14.899 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.007 -13.086 -12.074 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.728 -12.543 -12.515 1.00 0.00 C ATOM 1058 C GLU A 66 -4.580 -13.474 -12.133 1.00 0.00 C ATOM 1059 O GLU A 66 -3.590 -13.585 -12.856 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.499 -11.158 -11.907 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.489 -10.111 -12.389 1.00 0.00 C ATOM 1062 CD GLU A 66 -5.897 -8.715 -12.413 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -4.722 -8.577 -12.814 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -6.606 -7.762 -12.030 1.00 0.00 O ATOM 0 H GLU A 66 -7.684 -12.383 -11.777 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.756 -12.455 -13.601 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.561 -11.232 -10.821 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.488 -10.828 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.831 -10.374 -13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.365 -10.119 -11.740 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.722 -14.140 -10.993 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.697 -15.061 -10.513 1.00 0.00 C ATOM 1073 C CYS A 67 -3.206 -15.964 -11.640 1.00 0.00 C ATOM 1074 O CYS A 67 -3.818 -16.029 -12.706 1.00 0.00 O ATOM 1075 CB CYS A 67 -4.243 -15.910 -9.364 1.00 0.00 C ATOM 1076 SG CYS A 67 -5.490 -17.119 -9.867 1.00 0.00 S ATOM 0 H CYS A 67 -5.536 -14.060 -10.384 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.854 -14.472 -10.151 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.414 -16.435 -8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.675 -15.250 -8.612 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.110 -16.688 -10.926 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.809 -20.238 -3.305 1.00 0.00 N ATOM 1145 CA PRO A 72 -6.390 -19.825 -2.024 1.00 0.00 C ATOM 1146 C PRO A 72 -6.290 -20.916 -0.963 1.00 0.00 C ATOM 1147 O PRO A 72 -6.352 -22.109 -1.258 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.855 -19.549 -2.372 1.00 0.00 C ATOM 1149 CG PRO A 72 -8.124 -20.390 -3.571 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.834 -20.436 -4.343 1.00 0.00 C ATOM 0 HA PRO A 72 -5.870 -18.967 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.515 -19.814 -1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.019 -18.493 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.441 -21.392 -3.282 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.925 -19.964 -4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.707 -21.389 -4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.792 -19.656 -5.103 1.00 0.00 H new ATOM 1158 N PRO A 73 -6.131 -20.499 0.302 1.00 0.00 N ATOM 1159 CA PRO A 73 -6.020 -21.426 1.432 1.00 0.00 C ATOM 1160 C PRO A 73 -7.335 -22.139 1.729 1.00 0.00 C ATOM 1161 O PRO A 73 -8.413 -21.608 1.462 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.631 -20.516 2.600 1.00 0.00 C ATOM 1163 CG PRO A 73 -6.153 -19.173 2.224 1.00 0.00 C ATOM 1164 CD PRO A 73 -6.048 -19.092 0.726 1.00 0.00 C ATOM 0 HA PRO A 73 -5.302 -22.223 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.069 -20.863 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.551 -20.495 2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.186 -19.051 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.573 -18.382 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.854 -18.495 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.110 -18.633 0.413 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.239 -23.344 2.282 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.422 -24.129 2.613 1.00 0.00 C ATOM 1174 C GLU A 74 -9.542 -23.232 3.133 1.00 0.00 C ATOM 1175 O GLU A 74 -9.380 -22.537 4.135 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.079 -25.193 3.658 1.00 0.00 C ATOM 1177 CG GLU A 74 -9.187 -26.209 3.878 1.00 0.00 C ATOM 1178 CD GLU A 74 -9.122 -27.364 2.897 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -8.271 -28.258 3.089 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -9.922 -27.374 1.938 1.00 0.00 O ATOM 0 H GLU A 74 -6.354 -23.798 2.510 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.767 -24.621 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.174 -25.716 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.855 -24.702 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.123 -26.597 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.153 -25.713 3.786 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.678 -23.253 2.443 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.808 -22.438 2.849 1.00 0.00 C ATOM 1189 C GLY A 75 -11.953 -21.187 2.005 1.00 0.00 C ATOM 1190 O GLY A 75 -12.992 -20.969 1.382 1.00 0.00 O ATOM 0 H GLY A 75 -10.836 -23.820 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.722 -23.028 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.691 -22.155 3.895 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.911 -20.363 1.986 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.929 -19.126 1.215 1.00 0.00 C ATOM 1196 C ARG A 76 -11.317 -19.396 -0.236 1.00 0.00 C ATOM 1197 O ARG A 76 -11.450 -20.548 -0.650 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.559 -18.446 1.269 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.405 -17.480 2.433 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.615 -18.178 3.768 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.590 -17.239 4.886 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.616 -16.463 5.217 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.743 -16.515 4.520 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -10.516 -15.634 6.249 1.00 0.00 N ATOM 0 H ARG A 76 -10.043 -20.530 2.496 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.674 -18.463 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.785 -19.211 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.393 -17.907 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.411 -17.033 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.123 -16.667 2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.570 -18.703 3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.840 -18.931 3.909 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.738 -17.175 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.824 -17.152 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.529 -15.918 4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.651 -15.593 6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.304 -15.038 6.503 1.00 0.00 H new ATOM 1218 N SER A 77 -11.496 -18.326 -1.004 1.00 0.00 N ATOM 1219 CA SER A 77 -11.873 -18.447 -2.408 1.00 0.00 C ATOM 1220 C SER A 77 -10.774 -17.901 -3.314 1.00 0.00 C ATOM 1221 O SER A 77 -9.871 -17.200 -2.859 1.00 0.00 O ATOM 1222 CB SER A 77 -13.184 -17.703 -2.671 1.00 0.00 C ATOM 1223 OG SER A 77 -13.903 -18.299 -3.737 1.00 0.00 O ATOM 0 H SER A 77 -11.386 -17.366 -0.678 1.00 0.00 H new ATOM 0 HA SER A 77 -12.012 -19.505 -2.632 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.795 -17.707 -1.769 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.973 -16.660 -2.909 1.00 0.00 H new ATOM 0 HG SER A 77 -14.737 -17.807 -3.884 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.859 -18.229 -4.599 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.872 -17.774 -5.571 1.00 0.00 C ATOM 1231 C ARG A 78 -10.073 -16.298 -5.899 1.00 0.00 C ATOM 1232 O ARG A 78 -9.287 -15.703 -6.637 1.00 0.00 O ATOM 1233 CB ARG A 78 -9.961 -18.609 -6.850 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.095 -19.858 -6.823 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.137 -20.593 -8.153 1.00 0.00 C ATOM 1236 NE ARG A 78 -8.691 -19.749 -9.259 1.00 0.00 N ATOM 1237 CZ ARG A 78 -8.736 -20.123 -10.533 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -9.206 -21.319 -10.860 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -8.312 -19.299 -11.482 1.00 0.00 N ATOM 0 H ARG A 78 -11.601 -18.808 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.882 -17.899 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.999 -18.900 -7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.667 -17.991 -7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.066 -19.584 -6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.436 -20.522 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.506 -21.480 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.154 -20.936 -8.346 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.325 -18.822 -9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.534 -21.954 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.239 -21.604 -11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.951 -18.378 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.347 -19.587 -12.460 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.131 -15.713 -5.348 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.436 -14.306 -5.582 1.00 0.00 C ATOM 1255 C ASP A 79 -10.675 -13.416 -4.605 1.00 0.00 C ATOM 1256 O ASP A 79 -10.455 -12.234 -4.868 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.940 -14.060 -5.450 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.717 -14.565 -6.651 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.799 -15.799 -6.828 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.242 -13.727 -7.412 1.00 0.00 O ATOM 0 H ASP A 79 -11.792 -16.191 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.122 -14.055 -6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.308 -14.552 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.121 -12.992 -5.326 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.275 -13.992 -3.475 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.544 -13.235 -2.476 1.00 0.00 C ATOM 1267 C GLY A 80 -8.064 -13.135 -2.791 1.00 0.00 C ATOM 1268 O GLY A 80 -7.342 -12.351 -2.175 1.00 0.00 O ATOM 0 H GLY A 80 -10.444 -14.969 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.965 -12.232 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.674 -13.706 -1.501 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.611 -13.933 -3.752 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.207 -13.933 -4.148 1.00 0.00 C ATOM 1274 C LEU A 81 -5.744 -12.525 -4.511 1.00 0.00 C ATOM 1275 O LEU A 81 -6.519 -11.719 -5.027 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.991 -14.875 -5.334 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.650 -16.324 -4.986 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.428 -16.776 -3.760 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.937 -17.238 -6.169 1.00 0.00 C ATOM 0 H LEU A 81 -8.195 -14.588 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.616 -14.283 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.894 -14.872 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.188 -14.472 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.586 -16.382 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.172 -17.810 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.173 -16.140 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.497 -16.703 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.688 -18.266 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.994 -17.176 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.335 -16.928 -7.023 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.476 -12.238 -4.240 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.907 -10.928 -4.540 1.00 0.00 C ATOM 1293 C LEU A 82 -2.387 -11.003 -4.633 1.00 0.00 C ATOM 1294 O LEU A 82 -1.704 -11.242 -3.636 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.316 -9.916 -3.469 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.494 -8.627 -3.415 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.046 -7.600 -4.391 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.475 -8.065 -2.001 1.00 0.00 C ATOM 0 H LEU A 82 -3.822 -12.894 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.295 -10.602 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.361 -9.650 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.256 -10.403 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.470 -8.860 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.448 -6.690 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.006 -8.002 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.080 -7.371 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.886 -7.148 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.494 -7.848 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.031 -8.796 -1.325 1.00 0.00 H new ATOM 1310 N THR A 83 -1.861 -10.794 -5.836 1.00 0.00 N ATOM 1311 CA THR A 83 -0.422 -10.836 -6.059 1.00 0.00 C ATOM 1312 C THR A 83 0.111 -9.470 -6.474 1.00 0.00 C ATOM 1313 O THR A 83 -0.240 -8.951 -7.534 1.00 0.00 O ATOM 1314 CB THR A 83 -0.051 -11.869 -7.140 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.468 -13.177 -6.732 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.449 -11.868 -7.398 1.00 0.00 C ATOM 0 H THR A 83 -2.411 -10.594 -6.671 1.00 0.00 H new ATOM 0 HA THR A 83 0.035 -11.129 -5.114 1.00 0.00 H new ATOM 0 HB THR A 83 -0.563 -11.596 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.230 -13.827 -7.425 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.687 -12.605 -8.165 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.759 -10.879 -7.736 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.977 -12.119 -6.478 1.00 0.00 H new ATOM 1324 N VAL A 84 0.961 -8.890 -5.633 1.00 0.00 N ATOM 1325 CA VAL A 84 1.544 -7.583 -5.913 1.00 0.00 C ATOM 1326 C VAL A 84 2.905 -7.722 -6.586 1.00 0.00 C ATOM 1327 O VAL A 84 3.655 -8.656 -6.305 1.00 0.00 O ATOM 1328 CB VAL A 84 1.701 -6.751 -4.627 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.223 -5.359 -4.952 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.379 -6.672 -3.879 1.00 0.00 C ATOM 0 H VAL A 84 1.262 -9.305 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 84 0.859 -7.068 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 84 2.428 -7.245 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.328 -4.785 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.194 -5.439 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.522 -4.854 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.508 -6.080 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.371 -6.202 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.051 -7.677 -3.612 1.00 0.00 H new ATOM 1340 N ASN A 85 3.218 -6.785 -7.475 1.00 0.00 N ATOM 1341 CA ASN A 85 4.490 -6.802 -8.188 1.00 0.00 C ATOM 1342 C ASN A 85 5.330 -5.580 -7.831 1.00 0.00 C ATOM 1343 O ASN A 85 4.828 -4.455 -7.799 1.00 0.00 O ATOM 1344 CB ASN A 85 4.251 -6.847 -9.698 1.00 0.00 C ATOM 1345 CG ASN A 85 4.055 -8.261 -10.211 1.00 0.00 C ATOM 1346 OD1 ASN A 85 3.224 -9.031 -9.518 1.00 0.00 O flip ATOM 1347 ND2 ASN A 85 4.643 -8.656 -11.218 1.00 0.00 N flip ATOM 0 H ASN A 85 2.608 -6.004 -7.719 1.00 0.00 H new ATOM 0 HA ASN A 85 5.035 -7.696 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.372 -6.250 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.098 -6.392 -10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.273 -8.030 -11.720 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.500 -9.610 -11.551 1.00 0.00 H new ATOM 1354 N LEU A 86 6.612 -5.807 -7.564 1.00 0.00 N ATOM 1355 CA LEU A 86 7.523 -4.725 -7.210 1.00 0.00 C ATOM 1356 C LEU A 86 8.482 -4.423 -8.357 1.00 0.00 C ATOM 1357 O LEU A 86 8.739 -5.277 -9.205 1.00 0.00 O ATOM 1358 CB LEU A 86 8.314 -5.088 -5.952 1.00 0.00 C ATOM 1359 CG LEU A 86 7.485 -5.414 -4.709 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.351 -6.074 -3.647 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.831 -4.155 -4.159 1.00 0.00 C ATOM 0 H LEU A 86 7.043 -6.731 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 86 6.928 -3.833 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.945 -5.947 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.979 -4.258 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 86 6.699 -6.114 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.744 -6.298 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.772 -6.998 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.159 -5.399 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.245 -4.406 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.602 -3.432 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.177 -3.724 -4.917 1.00 0.00 H new ATOM 1373 N ARG A 87 9.010 -3.203 -8.375 1.00 0.00 N ATOM 1374 CA ARG A 87 9.941 -2.789 -9.417 1.00 0.00 C ATOM 1375 C ARG A 87 11.339 -3.339 -9.147 1.00 0.00 C ATOM 1376 O ARG A 87 12.146 -3.485 -10.064 1.00 0.00 O ATOM 1377 CB ARG A 87 9.991 -1.263 -9.510 1.00 0.00 C ATOM 1378 CG ARG A 87 10.573 -0.597 -8.275 1.00 0.00 C ATOM 1379 CD ARG A 87 10.977 0.842 -8.556 1.00 0.00 C ATOM 1380 NE ARG A 87 11.872 1.370 -7.529 1.00 0.00 N ATOM 1381 CZ ARG A 87 12.677 2.409 -7.720 1.00 0.00 C ATOM 1382 NH1 ARG A 87 12.700 3.029 -8.893 1.00 0.00 N ATOM 1383 NH2 ARG A 87 13.462 2.831 -6.737 1.00 0.00 N ATOM 0 H ARG A 87 8.809 -2.485 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 87 9.587 -3.192 -10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.585 -0.980 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.982 -0.884 -9.676 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.840 -0.619 -7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.441 -1.159 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.468 0.898 -9.528 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.084 1.465 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 87 11.879 0.916 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.098 2.708 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.319 3.827 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.448 2.357 -5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.080 3.629 -6.885 1.00 0.00 H new ATOM 1397 N GLU A 88 11.616 -3.641 -7.883 1.00 0.00 N ATOM 1398 CA GLU A 88 12.917 -4.173 -7.493 1.00 0.00 C ATOM 1399 C GLU A 88 13.177 -5.519 -8.163 1.00 0.00 C ATOM 1400 O GLU A 88 14.211 -5.717 -8.800 1.00 0.00 O ATOM 1401 CB GLU A 88 12.995 -4.324 -5.972 1.00 0.00 C ATOM 1402 CG GLU A 88 11.867 -5.156 -5.384 1.00 0.00 C ATOM 1403 CD GLU A 88 11.765 -5.018 -3.878 1.00 0.00 C ATOM 1404 OE1 GLU A 88 11.359 -3.935 -3.407 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.091 -5.993 -3.169 1.00 0.00 O ATOM 0 H GLU A 88 10.958 -3.527 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 88 13.682 -3.470 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.948 -4.782 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.981 -3.334 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.923 -4.854 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.022 -6.204 -5.639 1.00 0.00 H new ATOM 1412 N GLY A 89 12.231 -6.441 -8.014 1.00 0.00 N ATOM 1413 CA GLY A 89 12.377 -7.756 -8.609 1.00 0.00 C ATOM 1414 C GLY A 89 11.819 -8.856 -7.728 1.00 0.00 C ATOM 1415 O GLY A 89 12.509 -9.831 -7.428 1.00 0.00 O ATOM 0 H GLY A 89 11.366 -6.301 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.869 -7.774 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.432 -7.949 -8.802 1.00 0.00 H new ATOM 1419 N SER A 90 10.567 -8.700 -7.310 1.00 0.00 N ATOM 1420 CA SER A 90 9.918 -9.686 -6.454 1.00 0.00 C ATOM 1421 C SER A 90 8.451 -9.331 -6.232 1.00 0.00 C ATOM 1422 O SER A 90 8.105 -8.165 -6.041 1.00 0.00 O ATOM 1423 CB SER A 90 10.641 -9.778 -5.108 1.00 0.00 C ATOM 1424 OG SER A 90 10.490 -11.065 -4.535 1.00 0.00 O ATOM 0 H SER A 90 9.982 -7.900 -7.550 1.00 0.00 H new ATOM 0 HA SER A 90 9.968 -10.654 -6.953 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.700 -9.559 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.245 -9.025 -4.427 1.00 0.00 H new ATOM 0 HG SER A 90 10.962 -11.099 -3.677 1.00 0.00 H new ATOM 1430 N ARG A 91 7.593 -10.346 -6.258 1.00 0.00 N ATOM 1431 CA ARG A 91 6.163 -10.143 -6.061 1.00 0.00 C ATOM 1432 C ARG A 91 5.741 -10.567 -4.658 1.00 0.00 C ATOM 1433 O ARG A 91 6.527 -11.154 -3.913 1.00 0.00 O ATOM 1434 CB ARG A 91 5.366 -10.929 -7.104 1.00 0.00 C ATOM 1435 CG ARG A 91 5.883 -10.756 -8.523 1.00 0.00 C ATOM 1436 CD ARG A 91 5.565 -11.969 -9.383 1.00 0.00 C ATOM 1437 NE ARG A 91 6.505 -13.063 -9.156 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.723 -14.038 -10.031 1.00 0.00 C ATOM 1439 NH1 ARG A 91 6.072 -14.055 -11.186 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.594 -14.999 -9.752 1.00 0.00 N ATOM 0 H ARG A 91 7.864 -11.317 -6.414 1.00 0.00 H new ATOM 0 HA ARG A 91 5.954 -9.080 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.389 -11.987 -6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.323 -10.614 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.437 -9.866 -8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.961 -10.596 -8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.553 -12.311 -9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.588 -11.684 -10.435 1.00 0.00 H new ATOM 0 HE ARG A 91 7.023 -13.079 -8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.402 -13.318 -11.404 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.242 -14.805 -11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.097 -14.990 -8.865 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.761 -15.747 -10.425 1.00 0.00 H new ATOM 1454 N LEU A 92 4.497 -10.265 -4.303 1.00 0.00 N ATOM 1455 CA LEU A 92 3.971 -10.615 -2.988 1.00 0.00 C ATOM 1456 C LEU A 92 2.671 -11.404 -3.114 1.00 0.00 C ATOM 1457 O LEU A 92 1.609 -10.835 -3.368 1.00 0.00 O ATOM 1458 CB LEU A 92 3.735 -9.351 -2.159 1.00 0.00 C ATOM 1459 CG LEU A 92 4.938 -8.832 -1.371 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.814 -7.335 -1.133 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.071 -9.574 -0.049 1.00 0.00 C ATOM 0 H LEU A 92 3.834 -9.779 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 92 4.707 -11.241 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.395 -8.560 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.923 -9.546 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 92 5.838 -9.013 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.679 -6.983 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.769 -6.817 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.905 -7.131 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.933 -9.191 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.169 -9.425 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.207 -10.638 -0.241 1.00 0.00 H new ATOM 1473 N HIS A 93 2.762 -12.717 -2.932 1.00 0.00 N ATOM 1474 CA HIS A 93 1.593 -13.585 -3.023 1.00 0.00 C ATOM 1475 C HIS A 93 0.772 -13.525 -1.738 1.00 0.00 C ATOM 1476 O HIS A 93 1.090 -14.194 -0.754 1.00 0.00 O ATOM 1477 CB HIS A 93 2.021 -15.026 -3.302 1.00 0.00 C ATOM 1478 CG HIS A 93 2.558 -15.234 -4.684 1.00 0.00 C ATOM 1479 ND1 HIS A 93 3.283 -14.277 -5.362 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.475 -16.299 -5.515 1.00 0.00 C ATOM 1481 CE1 HIS A 93 3.620 -14.743 -6.551 1.00 0.00 C ATOM 1482 NE2 HIS A 93 3.142 -15.969 -6.669 1.00 0.00 N ATOM 0 H HIS A 93 3.633 -13.204 -2.721 1.00 0.00 H new ATOM 0 HA HIS A 93 0.973 -13.233 -3.847 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.782 -15.317 -2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.167 -15.686 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.977 -17.235 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.189 -14.212 -7.300 1.00 0.00 H new ATOM 0 HE2 HIS A 93 3.251 -16.572 -7.484 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.285 -12.720 -1.754 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.152 -12.572 -0.591 1.00 0.00 C ATOM 1493 C LEU A 94 -2.574 -13.022 -0.910 1.00 0.00 C ATOM 1494 O LEU A 94 -2.879 -13.387 -2.046 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.160 -11.117 -0.117 1.00 0.00 C ATOM 1496 CG LEU A 94 0.167 -10.580 0.421 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.277 -9.083 0.171 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.303 -10.886 1.905 1.00 0.00 C ATOM 0 H LEU A 94 -0.562 -12.160 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.760 -13.205 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.474 -10.486 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.914 -11.014 0.663 1.00 0.00 H new ATOM 0 HG LEU A 94 0.980 -11.077 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.227 -8.718 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.225 -8.888 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.542 -8.569 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.253 -10.497 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.516 -10.416 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.269 -11.965 2.059 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.439 -12.992 0.097 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.829 -13.396 -0.077 1.00 0.00 C ATOM 1512 C CYS A 95 -5.721 -12.743 0.974 1.00 0.00 C ATOM 1513 O CYS A 95 -5.455 -12.835 2.172 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.954 -14.918 0.007 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.616 -15.542 -0.338 1.00 0.00 S ATOM 0 H CYS A 95 -3.202 -12.692 1.043 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.157 -13.065 -1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.255 -15.369 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.656 -15.242 1.004 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.496 -14.767 0.223 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.778 -12.080 0.517 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.709 -11.411 1.417 1.00 0.00 C ATOM 1523 C ALA A 96 -8.886 -12.317 1.762 1.00 0.00 C ATOM 1524 O ALA A 96 -9.029 -13.403 1.202 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.203 -10.113 0.795 1.00 0.00 C ATOM 0 H ALA A 96 -7.011 -11.992 -0.472 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.180 -11.180 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.898 -9.624 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.355 -9.454 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.710 -10.330 -0.145 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.726 -11.862 2.687 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.890 -12.634 3.107 1.00 0.00 C ATOM 1533 C GLU A 97 -11.985 -12.587 2.046 1.00 0.00 C ATOM 1534 O GLU A 97 -12.565 -13.613 1.689 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.429 -12.103 4.437 1.00 0.00 C ATOM 1536 CG GLU A 97 -10.432 -12.198 5.579 1.00 0.00 C ATOM 1537 CD GLU A 97 -10.716 -11.200 6.686 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -11.537 -11.515 7.572 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -10.116 -10.105 6.665 1.00 0.00 O ATOM 0 H GLU A 97 -9.622 -10.964 3.159 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.579 -13.671 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.725 -11.062 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.328 -12.659 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.452 -13.207 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.426 -12.031 5.193 1.00 0.00 H new ATOM 1546 N THR A 98 -12.265 -11.387 1.545 1.00 0.00 N ATOM 1547 CA THR A 98 -13.291 -11.204 0.527 1.00 0.00 C ATOM 1548 C THR A 98 -12.779 -10.343 -0.622 1.00 0.00 C ATOM 1549 O THR A 98 -12.020 -9.397 -0.411 1.00 0.00 O ATOM 1550 CB THR A 98 -14.557 -10.554 1.116 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.254 -9.240 1.598 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.122 -11.398 2.248 1.00 0.00 C ATOM 0 H THR A 98 -11.795 -10.528 1.829 1.00 0.00 H new ATOM 0 HA THR A 98 -13.542 -12.195 0.150 1.00 0.00 H new ATOM 0 HB THR A 98 -15.305 -10.487 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.064 -8.833 1.969 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.016 -10.919 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.379 -12.388 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.377 -11.493 3.038 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.198 -10.677 -1.838 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.781 -9.933 -3.021 1.00 0.00 C ATOM 1562 C ARG A 99 -12.772 -8.433 -2.745 1.00 0.00 C ATOM 1563 O ARG A 99 -12.013 -7.683 -3.360 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.709 -10.241 -4.197 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.172 -9.942 -3.913 1.00 0.00 C ATOM 1566 CD ARG A 99 -15.882 -11.146 -3.315 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.320 -11.116 -3.568 1.00 0.00 N ATOM 1568 CZ ARG A 99 -18.167 -10.341 -2.901 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -17.723 -9.536 -1.945 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.462 -10.369 -3.189 1.00 0.00 N ATOM 0 H ARG A 99 -13.826 -11.458 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.768 -10.244 -3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.390 -9.660 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.607 -11.293 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.245 -9.098 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.670 -9.647 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.460 -12.060 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.704 -11.175 -2.240 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.694 -11.724 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.728 -9.511 -1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.376 -8.942 -1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.808 -10.986 -3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.112 -9.773 -2.676 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.621 -8.002 -1.818 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.711 -6.591 -1.461 1.00 0.00 C ATOM 1586 C ASP A 100 -12.369 -6.072 -0.954 1.00 0.00 C ATOM 1587 O ASP A 100 -11.741 -5.224 -1.588 1.00 0.00 O ATOM 1588 CB ASP A 100 -14.788 -6.381 -0.395 1.00 0.00 C ATOM 1589 CG ASP A 100 -16.189 -6.565 -0.944 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -16.373 -7.431 -1.825 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -17.103 -5.843 -0.491 1.00 0.00 O ATOM 0 H ASP A 100 -14.256 -8.609 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.982 -6.031 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.627 -7.082 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.693 -5.378 0.021 1.00 0.00 H new ATOM 1596 N ASP A 101 -11.936 -6.586 0.191 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.668 -6.175 0.783 1.00 0.00 C ATOM 1598 C ASP A 101 -9.542 -6.239 -0.244 1.00 0.00 C ATOM 1599 O ASP A 101 -8.779 -5.287 -0.404 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.331 -7.059 1.984 1.00 0.00 C ATOM 1601 CG ASP A 101 -9.544 -6.317 3.047 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -8.364 -5.997 2.795 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -10.108 -6.058 4.130 1.00 0.00 O ATOM 0 H ASP A 101 -12.444 -7.288 0.728 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.770 -5.143 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.254 -7.441 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.756 -7.922 1.647 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.445 -7.369 -0.938 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.414 -7.557 -1.950 1.00 0.00 C ATOM 1610 C ALA A 102 -8.347 -6.363 -2.896 1.00 0.00 C ATOM 1611 O ALA A 102 -7.266 -5.855 -3.195 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.669 -8.838 -2.732 1.00 0.00 C ATOM 0 H ALA A 102 -10.068 -8.167 -0.817 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.453 -7.639 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.891 -8.966 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.658 -9.689 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.641 -8.778 -3.221 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.509 -5.919 -3.363 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.582 -4.784 -4.274 1.00 0.00 C ATOM 1620 C ILE A 103 -9.219 -3.484 -3.564 1.00 0.00 C ATOM 1621 O ILE A 103 -8.572 -2.610 -4.139 1.00 0.00 O ATOM 1622 CB ILE A 103 -10.988 -4.644 -4.888 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.355 -5.908 -5.668 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.052 -3.421 -5.790 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -12.838 -6.045 -5.933 1.00 0.00 C ATOM 0 H ILE A 103 -10.413 -6.328 -3.125 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.863 -4.973 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.710 -4.515 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -10.823 -5.906 -6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.011 -6.781 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.051 -3.335 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.828 -2.527 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.322 -3.523 -6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.025 -6.963 -6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.375 -6.080 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.184 -5.191 -6.515 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.638 -3.365 -2.308 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.353 -2.175 -1.517 1.00 0.00 C ATOM 1639 C ALA A 104 -7.860 -1.868 -1.504 1.00 0.00 C ATOM 1640 O ALA A 104 -7.452 -0.715 -1.641 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.871 -2.349 -0.097 1.00 0.00 C ATOM 0 H ALA A 104 -10.176 -4.079 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.866 -1.331 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.651 -1.453 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.949 -2.511 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.385 -3.208 0.365 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.049 -2.907 -1.338 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.599 -2.748 -1.307 1.00 0.00 C ATOM 1649 C TRP A 105 -5.068 -2.328 -2.673 1.00 0.00 C ATOM 1650 O TRP A 105 -4.222 -1.440 -2.775 1.00 0.00 O ATOM 1651 CB TRP A 105 -4.932 -4.051 -0.865 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.923 -4.239 0.622 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.691 -5.108 1.343 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.108 -3.540 1.569 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.402 -4.992 2.682 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.433 -4.038 2.846 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.133 -2.545 1.463 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.819 -3.571 4.005 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.524 -2.082 2.614 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.868 -2.596 3.872 1.00 0.00 C ATOM 0 H TRP A 105 -7.370 -3.868 -1.223 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.360 -1.964 -0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.450 -4.891 -1.327 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -3.906 -4.068 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.419 -5.787 0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.838 -5.529 3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -2.860 -2.144 0.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.084 -3.964 4.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.771 -1.311 2.543 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.373 -2.215 4.753 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.570 -2.972 -3.721 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.147 -2.665 -5.083 1.00 0.00 C ATOM 1673 C LYS A 106 -5.238 -1.167 -5.356 1.00 0.00 C ATOM 1674 O LYS A 106 -4.338 -0.578 -5.955 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.007 -3.431 -6.091 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.701 -3.086 -7.538 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.534 -3.917 -8.498 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.946 -3.907 -9.900 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.996 -4.063 -10.944 1.00 0.00 N ATOM 0 H LYS A 106 -6.271 -3.710 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.108 -2.974 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.860 -4.501 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.058 -3.223 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.895 -2.027 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.642 -3.252 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.594 -4.943 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.552 -3.529 -8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.409 -2.972 -10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.218 -4.713 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.554 -4.051 -11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.492 -4.967 -10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.677 -3.280 -10.871 1.00 0.00 H new ATOM 1693 N THR A 107 -6.331 -0.554 -4.911 1.00 0.00 N ATOM 1694 CA THR A 107 -6.539 0.875 -5.107 1.00 0.00 C ATOM 1695 C THR A 107 -5.631 1.693 -4.196 1.00 0.00 C ATOM 1696 O THR A 107 -5.033 2.680 -4.624 1.00 0.00 O ATOM 1697 CB THR A 107 -8.004 1.271 -4.841 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.873 0.555 -5.726 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.203 2.768 -5.029 1.00 0.00 C ATOM 0 H THR A 107 -7.086 -1.025 -4.412 1.00 0.00 H new ATOM 0 HA THR A 107 -6.295 1.090 -6.147 1.00 0.00 H new ATOM 0 HB THR A 107 -8.245 1.015 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.802 0.811 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.245 3.024 -4.836 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.561 3.310 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.945 3.044 -6.052 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.530 1.276 -2.939 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.692 1.969 -1.968 1.00 0.00 C ATOM 1709 C ALA A 108 -3.221 1.900 -2.366 1.00 0.00 C ATOM 1710 O ALA A 108 -2.441 2.802 -2.056 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.893 1.379 -0.580 1.00 0.00 C ATOM 0 H ALA A 108 -6.018 0.461 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.989 3.018 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.261 1.906 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.938 1.485 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.625 0.323 -0.591 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.848 0.826 -3.052 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.469 0.639 -3.491 1.00 0.00 C ATOM 1719 C LEU A 109 -1.223 1.341 -4.823 1.00 0.00 C ATOM 1720 O LEU A 109 -0.250 2.079 -4.975 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.152 -0.852 -3.621 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.125 -1.649 -2.317 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.208 -3.140 -2.600 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.131 -1.325 -1.520 1.00 0.00 C ATOM 0 H LEU A 109 -3.481 0.071 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.811 1.080 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.890 -1.303 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.182 -0.956 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.993 -1.364 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.187 -3.691 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.136 -3.359 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.360 -3.441 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.134 -1.901 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.012 -1.581 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.148 -0.261 -1.285 1.00 0.00 H new ATOM 1736 N MET A 110 -2.112 1.108 -5.782 1.00 0.00 N ATOM 1737 CA MET A 110 -1.992 1.721 -7.100 1.00 0.00 C ATOM 1738 C MET A 110 -1.900 3.240 -6.987 1.00 0.00 C ATOM 1739 O MET A 110 -1.105 3.875 -7.679 1.00 0.00 O ATOM 1740 CB MET A 110 -3.185 1.335 -7.977 1.00 0.00 C ATOM 1741 CG MET A 110 -3.093 -0.073 -8.542 1.00 0.00 C ATOM 1742 SD MET A 110 -2.012 -0.174 -9.982 1.00 0.00 S ATOM 1743 CE MET A 110 -0.708 -1.229 -9.353 1.00 0.00 C ATOM 0 H MET A 110 -2.923 0.500 -5.672 1.00 0.00 H new ATOM 0 HA MET A 110 -1.076 1.352 -7.562 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.100 1.424 -7.391 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.264 2.044 -8.801 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.725 -0.747 -7.769 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.091 -0.416 -8.816 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.197 -1.079 -9.942 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.508 -0.979 -8.311 1.00 0.00 H new ATOM 0 HE3 MET A 110 -1.018 -2.272 -9.423 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.717 3.814 -6.110 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.728 5.258 -5.908 1.00 0.00 C ATOM 1755 C GLU A 111 -1.407 5.733 -5.309 1.00 0.00 C ATOM 1756 O GLU A 111 -0.663 6.486 -5.938 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.888 5.659 -4.995 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.200 5.865 -5.733 1.00 0.00 C ATOM 1759 CD GLU A 111 -6.191 6.696 -4.941 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -6.323 6.459 -3.722 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.833 7.584 -5.540 1.00 0.00 O ATOM 0 H GLU A 111 -3.380 3.301 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.859 5.734 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.025 4.889 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.627 6.579 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.003 6.353 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.643 4.894 -5.957 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.123 5.287 -4.090 1.00 0.00 N ATOM 1769 CA ALA A 112 0.108 5.665 -3.406 1.00 0.00 C ATOM 1770 C ALA A 112 1.320 5.471 -4.310 1.00 0.00 C ATOM 1771 O ALA A 112 2.255 6.271 -4.292 1.00 0.00 O ATOM 1772 CB ALA A 112 0.268 4.860 -2.125 1.00 0.00 C ATOM 0 H ALA A 112 -1.728 4.664 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 112 0.043 6.723 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.191 5.152 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.579 5.053 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.306 3.798 -2.365 1.00 0.00 H new ATOM 1778 N ASN A 113 1.298 4.402 -5.100 1.00 0.00 N ATOM 1779 CA ASN A 113 2.397 4.101 -6.011 1.00 0.00 C ATOM 1780 C ASN A 113 2.534 5.187 -7.074 1.00 0.00 C ATOM 1781 O ASN A 113 3.643 5.590 -7.425 1.00 0.00 O ATOM 1782 CB ASN A 113 2.177 2.743 -6.678 1.00 0.00 C ATOM 1783 CG ASN A 113 2.857 2.646 -8.030 1.00 0.00 C ATOM 1784 OD1 ASN A 113 4.081 2.549 -8.116 1.00 0.00 O ATOM 1785 ND2 ASN A 113 2.064 2.671 -9.095 1.00 0.00 N ATOM 0 H ASN A 113 0.531 3.730 -5.128 1.00 0.00 H new ATOM 0 HA ASN A 113 3.319 4.067 -5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.556 1.956 -6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.108 2.570 -6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.465 2.609 -10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.054 2.753 -8.977 1.00 0.00 H new ATOM 1792 N SER A 114 1.399 5.656 -7.582 1.00 0.00 N ATOM 1793 CA SER A 114 1.392 6.693 -8.608 1.00 0.00 C ATOM 1794 C SER A 114 0.736 7.968 -8.087 1.00 0.00 C ATOM 1795 O SER A 114 -0.090 8.578 -8.767 1.00 0.00 O ATOM 1796 CB SER A 114 0.657 6.200 -9.856 1.00 0.00 C ATOM 1797 OG SER A 114 1.158 6.828 -11.023 1.00 0.00 O ATOM 0 H SER A 114 0.473 5.335 -7.300 1.00 0.00 H new ATOM 0 HA SER A 114 2.426 6.918 -8.870 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.768 5.119 -9.944 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.409 6.404 -9.758 1.00 0.00 H new ATOM 0 HG SER A 114 0.673 6.495 -11.807 1.00 0.00 H new ATOM 1803 N THR A 115 1.108 8.365 -6.874 1.00 0.00 N ATOM 1804 CA THR A 115 0.556 9.566 -6.260 1.00 0.00 C ATOM 1805 C THR A 115 1.380 9.994 -5.051 1.00 0.00 C ATOM 1806 O THR A 115 1.313 9.391 -3.980 1.00 0.00 O ATOM 1807 CB THR A 115 -0.905 9.352 -5.823 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.715 9.031 -6.959 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.453 10.595 -5.138 1.00 0.00 C ATOM 0 H THR A 115 1.790 7.872 -6.297 1.00 0.00 H new ATOM 0 HA THR A 115 0.590 10.352 -7.015 1.00 0.00 H new ATOM 0 HB THR A 115 -0.931 8.525 -5.114 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.237 9.271 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.486 10.420 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.853 10.819 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.413 11.438 -5.828 1.00 0.00 H new ATOM 1817 N PRO A 116 2.175 11.060 -5.223 1.00 0.00 N ATOM 1818 CA PRO A 116 3.027 11.592 -4.155 1.00 0.00 C ATOM 1819 C PRO A 116 2.218 12.253 -3.044 1.00 0.00 C ATOM 1820 O PRO A 116 0.988 12.267 -3.083 1.00 0.00 O ATOM 1821 CB PRO A 116 3.892 12.629 -4.875 1.00 0.00 C ATOM 1822 CG PRO A 116 3.083 13.044 -6.055 1.00 0.00 C ATOM 1823 CD PRO A 116 2.305 11.827 -6.473 1.00 0.00 C ATOM 0 HA PRO A 116 3.600 10.807 -3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.113 13.478 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.848 12.204 -5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.414 13.866 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.724 13.394 -6.864 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.331 12.094 -6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.830 11.258 -7.241 1.00 0.00 H new