USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=15 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 113 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.6!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 CYS SG : rot 177:sc= 1.04 USER MOD Set 2.2: A 83 THR OG1 : rot 91:sc= 1.45 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.47 K(o=-1.5,f=-5!) USER MOD Single : A 36 THR OG1 : rot 150:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.563 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.99 F(o=-3.3!,f=-2) USER MOD Single : A 44 THR OG1 : rot 43:sc= 0.76 USER MOD Single : A 46 GLN : amide:sc= -0.0357 K(o=-0.036,f=-0.79) USER MOD Single : A 55 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.3) USER MOD Single : A 57 ASN : amide:sc= -0.562 K(o=-0.56,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 95 CYS SG : rot -12:sc= 0.364 USER MOD Single : A 98 THR OG1 : rot -94:sc= 0.0323 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 -149:sc= -0.213 (180deg=-1.07) USER MOD Single : A 115 THR OG1 : rot 14:sc= 0.751 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.278 6.269 9.352 1.00 0.00 N ATOM 67 CA LEU A 8 -0.829 4.987 8.928 1.00 0.00 C ATOM 68 C LEU A 8 -2.040 5.188 8.022 1.00 0.00 C ATOM 69 O LEU A 8 -2.896 6.031 8.290 1.00 0.00 O ATOM 70 CB LEU A 8 -1.222 4.150 10.146 1.00 0.00 C ATOM 71 CG LEU A 8 -1.923 2.823 9.851 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.904 1.706 9.686 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.913 2.485 10.956 1.00 0.00 C ATOM 0 HA LEU A 8 -0.061 4.458 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.322 3.942 10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.876 4.750 10.779 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.474 2.926 8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.421 0.770 9.477 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.235 1.943 8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.325 1.603 10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.402 1.538 10.729 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.384 2.402 11.905 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.663 3.273 11.026 1.00 0.00 H new ATOM 85 N VAL A 9 -2.107 4.406 6.949 1.00 0.00 N ATOM 86 CA VAL A 9 -3.215 4.495 6.006 1.00 0.00 C ATOM 87 C VAL A 9 -4.337 3.536 6.384 1.00 0.00 C ATOM 88 O VAL A 9 -5.459 3.957 6.666 1.00 0.00 O ATOM 89 CB VAL A 9 -2.754 4.188 4.569 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.904 4.366 3.589 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.576 5.071 4.187 1.00 0.00 C ATOM 0 H VAL A 9 -1.407 3.704 6.711 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.587 5.519 6.050 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.429 3.149 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.559 4.145 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.715 3.687 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.263 5.394 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.264 4.840 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.872 6.118 4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.747 4.888 4.871 1.00 0.00 H new ATOM 101 N ARG A 10 -4.028 2.243 6.388 1.00 0.00 N ATOM 102 CA ARG A 10 -5.011 1.223 6.731 1.00 0.00 C ATOM 103 C ARG A 10 -4.334 -0.004 7.335 1.00 0.00 C ATOM 104 O ARG A 10 -3.157 -0.262 7.084 1.00 0.00 O ATOM 105 CB ARG A 10 -5.812 0.819 5.492 1.00 0.00 C ATOM 106 CG ARG A 10 -7.213 0.321 5.808 1.00 0.00 C ATOM 107 CD ARG A 10 -7.692 -0.687 4.774 1.00 0.00 C ATOM 108 NE ARG A 10 -7.208 -2.035 5.059 1.00 0.00 N ATOM 109 CZ ARG A 10 -7.541 -3.102 4.342 1.00 0.00 C ATOM 110 NH1 ARG A 10 -8.355 -2.979 3.302 1.00 0.00 N ATOM 111 NH2 ARG A 10 -7.059 -4.296 4.663 1.00 0.00 N ATOM 0 H ARG A 10 -3.104 1.877 6.157 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.690 1.644 7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.883 1.675 4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.270 0.039 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.223 -0.138 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.902 1.165 5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.782 -0.691 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.352 -0.381 3.785 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.580 -2.164 5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.727 -2.063 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.609 -3.800 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.432 -4.395 5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.316 -5.115 4.111 1.00 0.00 H new ATOM 125 N GLY A 11 -5.086 -0.757 8.132 1.00 0.00 N ATOM 126 CA GLY A 11 -4.541 -1.947 8.759 1.00 0.00 C ATOM 127 C GLY A 11 -5.482 -3.132 8.671 1.00 0.00 C ATOM 128 O GLY A 11 -6.685 -2.996 8.892 1.00 0.00 O ATOM 0 H GLY A 11 -6.063 -0.564 8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.594 -2.203 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.325 -1.736 9.806 1.00 0.00 H new ATOM 132 N GLY A 12 -4.934 -4.298 8.344 1.00 0.00 N ATOM 133 CA GLY A 12 -5.749 -5.494 8.231 1.00 0.00 C ATOM 134 C GLY A 12 -4.917 -6.743 8.014 1.00 0.00 C ATOM 135 O GLY A 12 -3.912 -6.712 7.304 1.00 0.00 O ATOM 0 H GLY A 12 -3.941 -4.436 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.345 -5.611 9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.447 -5.377 7.402 1.00 0.00 H new ATOM 139 N TRP A 13 -5.336 -7.844 8.627 1.00 0.00 N ATOM 140 CA TRP A 13 -4.621 -9.109 8.498 1.00 0.00 C ATOM 141 C TRP A 13 -4.745 -9.663 7.083 1.00 0.00 C ATOM 142 O TRP A 13 -5.836 -9.694 6.511 1.00 0.00 O ATOM 143 CB TRP A 13 -5.158 -10.126 9.506 1.00 0.00 C ATOM 144 CG TRP A 13 -4.760 -9.828 10.920 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.385 -8.975 11.785 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.648 -10.381 11.632 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.727 -8.964 12.991 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.658 -9.819 12.923 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.645 -11.297 11.305 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.704 -10.144 13.884 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.698 -11.618 12.259 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.734 -11.043 13.537 1.00 0.00 C ATOM 0 H TRP A 13 -6.166 -7.887 9.218 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.567 -8.925 8.704 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.246 -10.152 9.440 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.798 -11.119 9.236 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.266 -8.395 11.555 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.991 -8.409 13.805 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.610 -11.746 10.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.729 -9.701 14.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.917 -12.324 12.016 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.981 -11.315 14.262 1.00 0.00 H new ATOM 163 N LEU A 14 -3.623 -10.100 6.523 1.00 0.00 N ATOM 164 CA LEU A 14 -3.606 -10.654 5.173 1.00 0.00 C ATOM 165 C LEU A 14 -2.858 -11.983 5.139 1.00 0.00 C ATOM 166 O LEU A 14 -1.863 -12.164 5.840 1.00 0.00 O ATOM 167 CB LEU A 14 -2.957 -9.665 4.203 1.00 0.00 C ATOM 168 CG LEU A 14 -3.800 -8.448 3.822 1.00 0.00 C ATOM 169 CD1 LEU A 14 -2.975 -7.461 3.011 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.036 -8.877 3.045 1.00 0.00 C ATOM 0 H LEU A 14 -2.713 -10.082 6.982 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.637 -10.831 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.025 -9.312 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.695 -10.201 3.291 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.125 -7.954 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.591 -6.601 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.121 -7.129 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.621 -7.945 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.624 -7.998 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.732 -9.395 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.638 -9.546 3.660 1.00 0.00 H new ATOM 182 N TRP A 15 -3.344 -12.908 4.319 1.00 0.00 N ATOM 183 CA TRP A 15 -2.720 -14.220 4.192 1.00 0.00 C ATOM 184 C TRP A 15 -1.565 -14.179 3.197 1.00 0.00 C ATOM 185 O TRP A 15 -1.751 -13.838 2.029 1.00 0.00 O ATOM 186 CB TRP A 15 -3.752 -15.258 3.751 1.00 0.00 C ATOM 187 CG TRP A 15 -4.634 -15.730 4.867 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.965 -15.470 5.026 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.247 -16.543 5.980 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.429 -16.071 6.171 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.394 -16.737 6.774 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.043 -17.127 6.382 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.370 -17.489 7.945 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.020 -17.873 7.545 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.178 -18.049 8.315 1.00 0.00 C ATOM 0 H TRP A 15 -4.168 -12.774 3.733 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.325 -14.503 5.168 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.372 -14.831 2.963 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.234 -16.115 3.320 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.565 -14.878 4.351 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.388 -16.028 6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.146 -16.998 5.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.261 -17.626 8.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.095 -18.328 7.866 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.128 -18.639 9.219 1.00 0.00 H new ATOM 206 N ARG A 16 -0.372 -14.529 3.667 1.00 0.00 N ATOM 207 CA ARG A 16 0.813 -14.531 2.818 1.00 0.00 C ATOM 208 C ARG A 16 1.406 -15.933 2.716 1.00 0.00 C ATOM 209 O ARG A 16 1.384 -16.698 3.680 1.00 0.00 O ATOM 210 CB ARG A 16 1.862 -13.561 3.367 1.00 0.00 C ATOM 211 CG ARG A 16 3.185 -13.609 2.621 1.00 0.00 C ATOM 212 CD ARG A 16 4.229 -12.722 3.281 1.00 0.00 C ATOM 213 NE ARG A 16 5.195 -12.203 2.317 1.00 0.00 N ATOM 214 CZ ARG A 16 6.155 -12.940 1.769 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.276 -14.221 2.088 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.996 -12.396 0.899 1.00 0.00 N ATOM 0 H ARG A 16 -0.201 -14.815 4.631 1.00 0.00 H new ATOM 0 HA ARG A 16 0.515 -14.207 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.466 -12.547 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.039 -13.787 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.548 -14.636 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.034 -13.290 1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.734 -11.890 3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.753 -13.290 4.050 1.00 0.00 H new ATOM 0 HE ARG A 16 5.129 -11.221 2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.631 -14.643 2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.014 -14.784 1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.906 -11.411 0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.733 -12.963 0.479 1.00 0.00 H new ATOM 230 N GLN A 17 1.935 -16.263 1.542 1.00 0.00 N ATOM 231 CA GLN A 17 2.532 -17.573 1.314 1.00 0.00 C ATOM 232 C GLN A 17 4.050 -17.468 1.207 1.00 0.00 C ATOM 233 O GLN A 17 4.574 -16.601 0.509 1.00 0.00 O ATOM 234 CB GLN A 17 1.961 -18.203 0.042 1.00 0.00 C ATOM 235 CG GLN A 17 1.971 -19.723 0.059 1.00 0.00 C ATOM 236 CD GLN A 17 2.096 -20.321 -1.328 1.00 0.00 C ATOM 237 OE1 GLN A 17 3.187 -20.692 -1.761 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.975 -20.419 -2.034 1.00 0.00 N ATOM 0 H GLN A 17 1.962 -15.641 0.734 1.00 0.00 H new ATOM 0 HA GLN A 17 2.289 -18.208 2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.937 -17.856 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.535 -17.854 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.800 -20.070 0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.054 -20.083 0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.092 -20.099 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.997 -20.814 -2.974 1.00 0.00 H new ATOM 331 N ARG A 23 3.661 -22.358 2.398 1.00 0.00 N ATOM 332 CA ARG A 23 2.475 -22.393 3.245 1.00 0.00 C ATOM 333 C ARG A 23 1.950 -20.983 3.505 1.00 0.00 C ATOM 334 O ARG A 23 2.693 -20.007 3.408 1.00 0.00 O ATOM 335 CB ARG A 23 2.790 -23.084 4.573 1.00 0.00 C ATOM 336 CG ARG A 23 1.564 -23.647 5.273 1.00 0.00 C ATOM 337 CD ARG A 23 1.895 -24.123 6.679 1.00 0.00 C ATOM 338 NE ARG A 23 0.711 -24.602 7.387 1.00 0.00 N ATOM 339 CZ ARG A 23 0.751 -25.160 8.592 1.00 0.00 C ATOM 340 NH1 ARG A 23 1.910 -25.306 9.220 1.00 0.00 N ATOM 341 NH2 ARG A 23 -0.369 -25.571 9.171 1.00 0.00 N ATOM 0 HA ARG A 23 1.704 -22.959 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.498 -23.893 4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.281 -22.372 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.787 -22.883 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.161 -24.477 4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.634 -24.922 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.348 -23.306 7.241 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.196 -24.503 6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.773 -24.990 8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.938 -25.735 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.262 -25.459 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.337 -25.999 10.096 1.00 0.00 H new ATOM 355 N TRP A 24 0.668 -20.887 3.834 1.00 0.00 N ATOM 356 CA TRP A 24 0.044 -19.597 4.107 1.00 0.00 C ATOM 357 C TRP A 24 0.175 -19.230 5.581 1.00 0.00 C ATOM 358 O TRP A 24 0.083 -20.091 6.456 1.00 0.00 O ATOM 359 CB TRP A 24 -1.431 -19.625 3.705 1.00 0.00 C ATOM 360 CG TRP A 24 -1.642 -19.697 2.223 1.00 0.00 C ATOM 361 CD1 TRP A 24 -1.813 -20.826 1.473 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.701 -18.595 1.311 1.00 0.00 C ATOM 363 NE1 TRP A 24 -1.975 -20.492 0.150 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.911 -19.130 0.024 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.599 -17.209 1.456 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.020 -18.325 -1.107 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.707 -16.412 0.332 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.916 -16.972 -0.936 1.00 0.00 C ATOM 0 H TRP A 24 0.040 -21.686 3.918 1.00 0.00 H new ATOM 0 HA TRP A 24 0.560 -18.840 3.516 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.912 -20.483 4.175 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.922 -18.732 4.092 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -1.820 -21.833 1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.120 -21.152 -0.614 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.439 -16.768 2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.181 -18.754 -2.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.629 -15.339 0.432 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.996 -16.322 -1.795 1.00 0.00 H new ATOM 379 N LYS A 25 0.389 -17.947 5.851 1.00 0.00 N ATOM 380 CA LYS A 25 0.531 -17.465 7.220 1.00 0.00 C ATOM 381 C LYS A 25 -0.088 -16.080 7.376 1.00 0.00 C ATOM 382 O LYS A 25 0.025 -15.236 6.487 1.00 0.00 O ATOM 383 CB LYS A 25 2.008 -17.423 7.617 1.00 0.00 C ATOM 384 CG LYS A 25 2.857 -16.549 6.711 1.00 0.00 C ATOM 385 CD LYS A 25 4.340 -16.734 6.987 1.00 0.00 C ATOM 386 CE LYS A 25 4.918 -17.884 6.176 1.00 0.00 C ATOM 387 NZ LYS A 25 6.374 -18.064 6.430 1.00 0.00 N ATOM 0 H LYS A 25 0.468 -17.221 5.139 1.00 0.00 H new ATOM 0 HA LYS A 25 0.004 -18.155 7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.090 -17.058 8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.407 -18.437 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.647 -16.791 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.587 -15.503 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.873 -15.814 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.493 -16.924 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.390 -18.805 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.755 -17.698 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.731 -18.857 5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.882 -17.194 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.528 -18.267 7.438 1.00 0.00 H new ATOM 401 N ARG A 26 -0.740 -15.852 8.512 1.00 0.00 N ATOM 402 CA ARG A 26 -1.375 -14.569 8.784 1.00 0.00 C ATOM 403 C ARG A 26 -0.332 -13.503 9.106 1.00 0.00 C ATOM 404 O ARG A 26 0.629 -13.760 9.830 1.00 0.00 O ATOM 405 CB ARG A 26 -2.362 -14.700 9.945 1.00 0.00 C ATOM 406 CG ARG A 26 -3.764 -15.097 9.512 1.00 0.00 C ATOM 407 CD ARG A 26 -4.490 -15.862 10.608 1.00 0.00 C ATOM 408 NE ARG A 26 -5.935 -15.662 10.549 1.00 0.00 N ATOM 409 CZ ARG A 26 -6.747 -15.862 11.581 1.00 0.00 C ATOM 410 NH1 ARG A 26 -6.258 -16.266 12.745 1.00 0.00 N ATOM 411 NH2 ARG A 26 -8.052 -15.658 11.449 1.00 0.00 N ATOM 0 H ARG A 26 -0.842 -16.540 9.258 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.917 -14.263 7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.985 -15.442 10.649 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.411 -13.750 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.332 -14.204 9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.708 -15.712 8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.267 -16.925 10.517 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.119 -15.541 11.581 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.343 -15.352 9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.256 -16.424 12.850 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.884 -16.419 13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.432 -15.348 10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.675 -15.812 12.242 1.00 0.00 H new ATOM 425 N ASN A 27 -0.530 -12.306 8.563 1.00 0.00 N ATOM 426 CA ASN A 27 0.395 -11.201 8.792 1.00 0.00 C ATOM 427 C ASN A 27 -0.327 -9.860 8.701 1.00 0.00 C ATOM 428 O ASN A 27 -1.181 -9.661 7.837 1.00 0.00 O ATOM 429 CB ASN A 27 1.539 -11.247 7.777 1.00 0.00 C ATOM 430 CG ASN A 27 2.584 -12.287 8.132 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.345 -13.489 8.015 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.752 -11.827 8.567 1.00 0.00 N ATOM 0 H ASN A 27 -1.322 -12.076 7.962 1.00 0.00 H new ATOM 0 HA ASN A 27 0.805 -11.306 9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.135 -11.464 6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.011 -10.266 7.720 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.495 -12.479 8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.906 -10.822 8.648 1.00 0.00 H new ATOM 439 N TRP A 28 0.022 -8.944 9.598 1.00 0.00 N ATOM 440 CA TRP A 28 -0.593 -7.622 9.618 1.00 0.00 C ATOM 441 C TRP A 28 0.162 -6.657 8.710 1.00 0.00 C ATOM 442 O TRP A 28 1.236 -6.169 9.063 1.00 0.00 O ATOM 443 CB TRP A 28 -0.628 -7.075 11.046 1.00 0.00 C ATOM 444 CG TRP A 28 -1.547 -5.903 11.211 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.909 -5.907 11.106 1.00 0.00 C ATOM 446 CD2 TRP A 28 -1.170 -4.554 11.507 1.00 0.00 C ATOM 447 NE1 TRP A 28 -3.401 -4.642 11.320 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.355 -3.794 11.569 1.00 0.00 C ATOM 449 CE3 TRP A 28 0.053 -3.914 11.729 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -2.349 -2.429 11.841 1.00 0.00 C ATOM 451 CZ3 TRP A 28 0.056 -2.559 11.999 1.00 0.00 C ATOM 452 CH2 TRP A 28 -1.138 -1.828 12.054 1.00 0.00 C ATOM 0 H TRP A 28 0.727 -9.093 10.320 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.614 -7.718 9.248 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.939 -7.870 11.724 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.380 -6.781 11.340 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.511 -6.777 10.887 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.386 -4.377 11.297 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.979 -4.469 11.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.268 -1.864 11.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.995 -2.054 12.171 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.102 -0.770 12.269 1.00 0.00 H new ATOM 463 N PHE A 29 -0.406 -6.385 7.540 1.00 0.00 N ATOM 464 CA PHE A 29 0.215 -5.479 6.581 1.00 0.00 C ATOM 465 C PHE A 29 -0.260 -4.045 6.802 1.00 0.00 C ATOM 466 O PHE A 29 -1.456 -3.762 6.755 1.00 0.00 O ATOM 467 CB PHE A 29 -0.105 -5.919 5.151 1.00 0.00 C ATOM 468 CG PHE A 29 0.767 -7.038 4.659 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.563 -8.337 5.096 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.792 -6.791 3.760 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.364 -9.369 4.645 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.596 -7.820 3.305 1.00 0.00 C ATOM 473 CZ PHE A 29 2.382 -9.110 3.749 1.00 0.00 C ATOM 0 H PHE A 29 -1.295 -6.779 7.233 1.00 0.00 H new ATOM 0 HA PHE A 29 1.294 -5.514 6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.148 -6.233 5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.003 -5.064 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.231 -8.545 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.965 -5.784 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.194 -10.377 4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.391 -7.615 2.603 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.010 -9.915 3.396 1.00 0.00 H new ATOM 483 N ALA A 30 0.688 -3.146 7.044 1.00 0.00 N ATOM 484 CA ALA A 30 0.368 -1.742 7.271 1.00 0.00 C ATOM 485 C ALA A 30 1.091 -0.845 6.272 1.00 0.00 C ATOM 486 O ALA A 30 2.261 -1.068 5.955 1.00 0.00 O ATOM 487 CB ALA A 30 0.726 -1.343 8.696 1.00 0.00 C ATOM 0 H ALA A 30 1.683 -3.365 7.088 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.705 -1.612 7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.482 -0.292 8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.160 -1.955 9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.793 -1.496 8.859 1.00 0.00 H new ATOM 493 N LEU A 31 0.388 0.167 5.777 1.00 0.00 N ATOM 494 CA LEU A 31 0.963 1.098 4.811 1.00 0.00 C ATOM 495 C LEU A 31 1.253 2.447 5.462 1.00 0.00 C ATOM 496 O LEU A 31 0.415 2.994 6.179 1.00 0.00 O ATOM 497 CB LEU A 31 0.015 1.284 3.625 1.00 0.00 C ATOM 498 CG LEU A 31 0.427 2.336 2.596 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.616 1.851 1.782 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.743 2.676 1.684 1.00 0.00 C ATOM 0 H LEU A 31 -0.581 0.364 6.028 1.00 0.00 H new ATOM 0 HA LEU A 31 1.903 0.678 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.089 0.326 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.970 1.548 4.011 1.00 0.00 H new ATOM 0 HG LEU A 31 0.723 3.240 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.895 2.614 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.458 1.659 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.349 0.932 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.432 3.427 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.069 1.777 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.567 3.068 2.280 1.00 0.00 H new ATOM 512 N TRP A 32 2.443 2.978 5.204 1.00 0.00 N ATOM 513 CA TRP A 32 2.842 4.265 5.763 1.00 0.00 C ATOM 514 C TRP A 32 2.765 5.364 4.708 1.00 0.00 C ATOM 515 O TRP A 32 2.968 5.113 3.520 1.00 0.00 O ATOM 516 CB TRP A 32 4.261 4.181 6.327 1.00 0.00 C ATOM 517 CG TRP A 32 4.434 3.089 7.339 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.150 1.936 7.186 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.880 3.048 8.658 1.00 0.00 C ATOM 520 NE1 TRP A 32 5.074 1.180 8.331 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.302 1.840 9.249 1.00 0.00 C ATOM 522 CE3 TRP A 32 3.071 3.914 9.399 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.939 1.480 10.544 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.712 3.554 10.684 1.00 0.00 C ATOM 525 CH2 TRP A 32 3.146 2.346 11.246 1.00 0.00 C ATOM 0 H TRP A 32 3.148 2.538 4.612 1.00 0.00 H new ATOM 0 HA TRP A 32 2.152 4.513 6.570 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.961 4.021 5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.519 5.136 6.785 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.696 1.659 6.296 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.520 0.274 8.474 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.733 4.848 8.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.272 0.549 10.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.086 4.215 11.265 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.849 2.094 12.253 1.00 0.00 H new ATOM 536 N LEU A 33 2.471 6.582 5.150 1.00 0.00 N ATOM 537 CA LEU A 33 2.367 7.720 4.243 1.00 0.00 C ATOM 538 C LEU A 33 3.679 7.943 3.497 1.00 0.00 C ATOM 539 O LEU A 33 3.689 8.463 2.381 1.00 0.00 O ATOM 540 CB LEU A 33 1.988 8.982 5.019 1.00 0.00 C ATOM 541 CG LEU A 33 0.643 8.945 5.745 1.00 0.00 C ATOM 542 CD1 LEU A 33 0.011 10.329 5.770 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.292 7.942 5.085 1.00 0.00 C ATOM 0 H LEU A 33 2.301 6.807 6.130 1.00 0.00 H new ATOM 0 HA LEU A 33 1.588 7.502 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.769 9.181 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.981 9.823 4.325 1.00 0.00 H new ATOM 0 HG LEU A 33 0.816 8.628 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.945 10.283 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.673 11.022 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.148 10.675 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.244 7.929 5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.458 8.228 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.156 6.949 5.120 1.00 0.00 H new ATOM 555 N ASP A 34 4.783 7.543 4.119 1.00 0.00 N ATOM 556 CA ASP A 34 6.100 7.696 3.513 1.00 0.00 C ATOM 557 C ASP A 34 6.176 6.952 2.183 1.00 0.00 C ATOM 558 O ASP A 34 7.083 7.180 1.383 1.00 0.00 O ATOM 559 CB ASP A 34 7.184 7.182 4.461 1.00 0.00 C ATOM 560 CG ASP A 34 7.378 8.086 5.663 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.597 7.963 6.629 1.00 0.00 O ATOM 562 OD2 ASP A 34 8.311 8.916 5.637 1.00 0.00 O ATOM 0 H ASP A 34 4.792 7.110 5.043 1.00 0.00 H new ATOM 0 HA ASP A 34 6.265 8.757 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.920 6.181 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.126 7.096 3.919 1.00 0.00 H new ATOM 567 N GLY A 35 5.217 6.061 1.954 1.00 0.00 N ATOM 568 CA GLY A 35 5.194 5.296 0.721 1.00 0.00 C ATOM 569 C GLY A 35 5.929 3.976 0.843 1.00 0.00 C ATOM 570 O GLY A 35 6.569 3.522 -0.106 1.00 0.00 O ATOM 0 H GLY A 35 4.455 5.855 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.160 5.107 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.644 5.886 -0.077 1.00 0.00 H new ATOM 574 N THR A 36 5.840 3.358 2.017 1.00 0.00 N ATOM 575 CA THR A 36 6.504 2.084 2.261 1.00 0.00 C ATOM 576 C THR A 36 5.528 1.052 2.814 1.00 0.00 C ATOM 577 O THR A 36 4.616 1.388 3.571 1.00 0.00 O ATOM 578 CB THR A 36 7.679 2.242 3.246 1.00 0.00 C ATOM 579 OG1 THR A 36 7.252 2.966 4.405 1.00 0.00 O ATOM 580 CG2 THR A 36 8.842 2.968 2.588 1.00 0.00 C ATOM 0 H THR A 36 5.315 3.719 2.813 1.00 0.00 H new ATOM 0 HA THR A 36 6.888 1.739 1.301 1.00 0.00 H new ATOM 0 HB THR A 36 8.013 1.248 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.771 2.673 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.659 3.068 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.183 2.399 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.518 3.958 2.267 1.00 0.00 H new ATOM 588 N LEU A 37 5.725 -0.206 2.434 1.00 0.00 N ATOM 589 CA LEU A 37 4.861 -1.288 2.893 1.00 0.00 C ATOM 590 C LEU A 37 5.609 -2.213 3.849 1.00 0.00 C ATOM 591 O LEU A 37 6.594 -2.847 3.472 1.00 0.00 O ATOM 592 CB LEU A 37 4.334 -2.087 1.700 1.00 0.00 C ATOM 593 CG LEU A 37 3.016 -2.831 1.921 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.866 -1.848 2.070 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.751 -3.796 0.775 1.00 0.00 C ATOM 0 H LEU A 37 6.475 -0.502 1.809 1.00 0.00 H new ATOM 0 HA LEU A 37 4.019 -0.847 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.207 -1.405 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.094 -2.813 1.410 1.00 0.00 H new ATOM 0 HG LEU A 37 3.096 -3.406 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.937 -2.396 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.052 -1.197 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.784 -1.245 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.809 -4.317 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.692 -3.241 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.562 -4.522 0.716 1.00 0.00 H new ATOM 607 N GLY A 38 5.132 -2.287 5.088 1.00 0.00 N ATOM 608 CA GLY A 38 5.766 -3.138 6.077 1.00 0.00 C ATOM 609 C GLY A 38 4.772 -4.027 6.799 1.00 0.00 C ATOM 610 O GLY A 38 3.774 -3.545 7.337 1.00 0.00 O ATOM 0 H GLY A 38 4.318 -1.773 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.517 -3.759 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.289 -2.517 6.804 1.00 0.00 H new ATOM 614 N TYR A 39 5.043 -5.327 6.812 1.00 0.00 N ATOM 615 CA TYR A 39 4.163 -6.285 7.470 1.00 0.00 C ATOM 616 C TYR A 39 4.825 -6.867 8.715 1.00 0.00 C ATOM 617 O TYR A 39 6.050 -6.973 8.789 1.00 0.00 O ATOM 618 CB TYR A 39 3.788 -7.411 6.505 1.00 0.00 C ATOM 619 CG TYR A 39 4.954 -7.925 5.692 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.751 -8.961 6.162 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.258 -7.376 4.452 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.818 -9.434 5.422 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.322 -7.843 3.705 1.00 0.00 C ATOM 624 CZ TYR A 39 7.099 -8.872 4.195 1.00 0.00 C ATOM 625 OH TYR A 39 8.160 -9.341 3.454 1.00 0.00 O ATOM 0 H TYR A 39 5.866 -5.742 6.374 1.00 0.00 H new ATOM 0 HA TYR A 39 3.258 -5.759 7.774 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.360 -8.237 7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.013 -7.054 5.827 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.533 -9.405 7.122 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.652 -6.570 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.428 -10.239 5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.544 -7.405 2.743 1.00 0.00 H new ATOM 0 HH TYR A 39 8.220 -8.838 2.615 1.00 0.00 H new ATOM 635 N TYR A 40 4.007 -7.243 9.691 1.00 0.00 N ATOM 636 CA TYR A 40 4.512 -7.813 10.935 1.00 0.00 C ATOM 637 C TYR A 40 3.679 -9.020 11.358 1.00 0.00 C ATOM 638 O TYR A 40 2.668 -9.341 10.733 1.00 0.00 O ATOM 639 CB TYR A 40 4.503 -6.759 12.043 1.00 0.00 C ATOM 640 CG TYR A 40 5.090 -5.432 11.621 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.445 -4.630 10.687 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.290 -4.979 12.156 1.00 0.00 C ATOM 643 CE1 TYR A 40 4.978 -3.417 10.297 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.830 -3.766 11.773 1.00 0.00 C ATOM 645 CZ TYR A 40 6.170 -2.989 10.844 1.00 0.00 C ATOM 646 OH TYR A 40 6.705 -1.781 10.459 1.00 0.00 O ATOM 0 H TYR A 40 2.991 -7.164 9.645 1.00 0.00 H new ATOM 0 HA TYR A 40 5.537 -8.143 10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.477 -6.603 12.376 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.062 -7.138 12.898 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.511 -4.961 10.259 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.809 -5.585 12.883 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.465 -2.807 9.568 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.763 -3.428 12.199 1.00 0.00 H new ATOM 0 HH TYR A 40 7.546 -1.628 10.939 1.00 0.00 H new ATOM 656 N HIS A 41 4.113 -9.684 12.425 1.00 0.00 N ATOM 657 CA HIS A 41 3.408 -10.855 12.934 1.00 0.00 C ATOM 658 C HIS A 41 2.168 -10.443 13.722 1.00 0.00 C ATOM 659 O HIS A 41 1.169 -11.162 13.747 1.00 0.00 O ATOM 660 CB HIS A 41 4.335 -11.690 13.819 1.00 0.00 C ATOM 661 CG HIS A 41 5.600 -12.107 13.135 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.621 -11.371 12.636 1.00 0.00 N flip ATOM 663 CD2 HIS A 41 5.927 -13.425 12.895 1.00 0.00 C flip ATOM 664 CE1 HIS A 41 7.537 -12.250 12.111 1.00 0.00 C flip ATOM 665 NE2 HIS A 41 7.095 -13.482 12.281 1.00 0.00 N flip ATOM 0 H HIS A 41 4.948 -9.431 12.953 1.00 0.00 H new ATOM 0 HA HIS A 41 3.092 -11.457 12.082 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.586 -11.116 14.711 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.801 -12.580 14.152 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.322 -14.278 13.167 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.468 -11.977 11.636 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.574 -14.333 11.988 1.00 0.00 H new ATOM 674 N ASP A 42 2.241 -9.283 14.365 1.00 0.00 N ATOM 675 CA ASP A 42 1.124 -8.775 15.154 1.00 0.00 C ATOM 676 C ASP A 42 1.284 -7.282 15.423 1.00 0.00 C ATOM 677 O ASP A 42 2.261 -6.667 14.998 1.00 0.00 O ATOM 678 CB ASP A 42 1.019 -9.536 16.477 1.00 0.00 C ATOM 679 CG ASP A 42 -0.347 -9.394 17.119 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.276 -8.914 16.437 1.00 0.00 O ATOM 681 OD2 ASP A 42 -0.487 -9.762 18.305 1.00 0.00 O ATOM 0 H ASP A 42 3.061 -8.677 14.356 1.00 0.00 H new ATOM 0 HA ASP A 42 0.208 -8.927 14.583 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.228 -10.592 16.303 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.781 -9.170 17.165 1.00 0.00 H new ATOM 686 N GLU A 43 0.316 -6.706 16.130 1.00 0.00 N ATOM 687 CA GLU A 43 0.349 -5.285 16.453 1.00 0.00 C ATOM 688 C GLU A 43 1.765 -4.841 16.812 1.00 0.00 C ATOM 689 O GLU A 43 2.126 -3.677 16.638 1.00 0.00 O ATOM 690 CB GLU A 43 -0.602 -4.980 17.613 1.00 0.00 C ATOM 691 CG GLU A 43 -0.588 -3.524 18.045 1.00 0.00 C ATOM 692 CD GLU A 43 -0.977 -3.343 19.499 1.00 0.00 C ATOM 693 OE1 GLU A 43 -1.647 -4.242 20.049 1.00 0.00 O ATOM 694 OE2 GLU A 43 -0.612 -2.304 20.087 1.00 0.00 O ATOM 0 H GLU A 43 -0.500 -7.202 16.489 1.00 0.00 H new ATOM 0 HA GLU A 43 0.025 -4.731 15.572 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.616 -5.254 17.322 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.335 -5.605 18.465 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.408 -3.111 17.885 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.273 -2.956 17.416 1.00 0.00 H new ATOM 701 N THR A 44 2.563 -5.778 17.316 1.00 0.00 N ATOM 702 CA THR A 44 3.937 -5.485 17.701 1.00 0.00 C ATOM 703 C THR A 44 4.794 -5.165 16.481 1.00 0.00 C ATOM 704 O THR A 44 5.280 -6.067 15.799 1.00 0.00 O ATOM 705 CB THR A 44 4.570 -6.664 18.464 1.00 0.00 C ATOM 706 OG1 THR A 44 4.507 -7.853 17.668 1.00 0.00 O ATOM 707 CG2 THR A 44 3.859 -6.896 19.788 1.00 0.00 C ATOM 0 H THR A 44 2.280 -6.746 17.467 1.00 0.00 H new ATOM 0 HA THR A 44 3.903 -4.614 18.356 1.00 0.00 H new ATOM 0 HB THR A 44 5.612 -6.418 18.668 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.753 -7.641 16.743 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.324 -7.733 20.309 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.934 -5.999 20.403 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.809 -7.122 19.602 1.00 0.00 H new ATOM 715 N ALA A 45 4.975 -3.876 16.213 1.00 0.00 N ATOM 716 CA ALA A 45 5.776 -3.438 15.077 1.00 0.00 C ATOM 717 C ALA A 45 7.258 -3.714 15.310 1.00 0.00 C ATOM 718 O ALA A 45 8.051 -3.727 14.370 1.00 0.00 O ATOM 719 CB ALA A 45 5.549 -1.958 14.811 1.00 0.00 C ATOM 0 H ALA A 45 4.578 -3.117 16.767 1.00 0.00 H new ATOM 0 HA ALA A 45 5.461 -4.006 14.202 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.154 -1.644 13.960 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.495 -1.785 14.591 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.835 -1.382 15.691 1.00 0.00 H new ATOM 725 N GLN A 46 7.623 -3.933 16.569 1.00 0.00 N ATOM 726 CA GLN A 46 9.010 -4.207 16.925 1.00 0.00 C ATOM 727 C GLN A 46 9.515 -5.463 16.222 1.00 0.00 C ATOM 728 O GLN A 46 10.717 -5.724 16.183 1.00 0.00 O ATOM 729 CB GLN A 46 9.148 -4.367 18.440 1.00 0.00 C ATOM 730 CG GLN A 46 8.230 -5.428 19.026 1.00 0.00 C ATOM 731 CD GLN A 46 8.631 -5.835 20.431 1.00 0.00 C ATOM 732 OE1 GLN A 46 9.817 -5.935 20.746 1.00 0.00 O ATOM 733 NE2 GLN A 46 7.641 -6.071 21.284 1.00 0.00 N ATOM 0 H GLN A 46 6.978 -3.926 17.359 1.00 0.00 H new ATOM 0 HA GLN A 46 9.616 -3.361 16.599 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.181 -4.621 18.678 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.937 -3.411 18.919 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.207 -5.051 19.039 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.238 -6.307 18.381 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.672 -5.976 20.980 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.849 -6.347 22.243 1.00 0.00 H new ATOM 742 N ASP A 47 8.589 -6.236 15.667 1.00 0.00 N ATOM 743 CA ASP A 47 8.940 -7.465 14.964 1.00 0.00 C ATOM 744 C ASP A 47 8.855 -7.269 13.453 1.00 0.00 C ATOM 745 O ASP A 47 8.307 -8.109 12.739 1.00 0.00 O ATOM 746 CB ASP A 47 8.018 -8.606 15.395 1.00 0.00 C ATOM 747 CG ASP A 47 8.681 -9.964 15.275 1.00 0.00 C ATOM 748 OD1 ASP A 47 9.842 -10.098 15.715 1.00 0.00 O ATOM 749 OD2 ASP A 47 8.039 -10.892 14.741 1.00 0.00 O ATOM 0 H ASP A 47 7.589 -6.034 15.690 1.00 0.00 H new ATOM 0 HA ASP A 47 9.967 -7.722 15.223 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.707 -8.447 16.427 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.116 -8.590 14.784 1.00 0.00 H new ATOM 754 N GLU A 48 9.399 -6.155 12.974 1.00 0.00 N ATOM 755 CA GLU A 48 9.383 -5.850 11.548 1.00 0.00 C ATOM 756 C GLU A 48 9.883 -7.038 10.731 1.00 0.00 C ATOM 757 O GLU A 48 11.076 -7.337 10.719 1.00 0.00 O ATOM 758 CB GLU A 48 10.244 -4.619 11.258 1.00 0.00 C ATOM 759 CG GLU A 48 11.737 -4.882 11.363 1.00 0.00 C ATOM 760 CD GLU A 48 12.531 -3.626 11.667 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.548 -3.206 12.843 1.00 0.00 O ATOM 762 OE2 GLU A 48 13.134 -3.064 10.729 1.00 0.00 O ATOM 0 H GLU A 48 9.856 -5.449 13.552 1.00 0.00 H new ATOM 0 HA GLU A 48 8.353 -5.641 11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.017 -4.255 10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.974 -3.825 11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.918 -5.620 12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.093 -5.315 10.428 1.00 0.00 H new ATOM 769 N GLU A 49 8.960 -7.711 10.051 1.00 0.00 N ATOM 770 CA GLU A 49 9.307 -8.867 9.233 1.00 0.00 C ATOM 771 C GLU A 49 10.025 -8.435 7.958 1.00 0.00 C ATOM 772 O GLU A 49 10.928 -9.121 7.479 1.00 0.00 O ATOM 773 CB GLU A 49 8.050 -9.664 8.878 1.00 0.00 C ATOM 774 CG GLU A 49 8.337 -11.093 8.448 1.00 0.00 C ATOM 775 CD GLU A 49 7.088 -11.953 8.412 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.428 -12.083 9.464 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.772 -12.496 7.333 1.00 0.00 O ATOM 0 H GLU A 49 7.967 -7.476 10.050 1.00 0.00 H new ATOM 0 HA GLU A 49 9.979 -9.501 9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.384 -9.680 9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.520 -9.152 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.797 -11.086 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.060 -11.537 9.133 1.00 0.00 H new ATOM 784 N ASP A 50 9.616 -7.295 7.413 1.00 0.00 N ATOM 785 CA ASP A 50 10.220 -6.770 6.193 1.00 0.00 C ATOM 786 C ASP A 50 9.655 -5.394 5.856 1.00 0.00 C ATOM 787 O ASP A 50 8.730 -4.914 6.512 1.00 0.00 O ATOM 788 CB ASP A 50 9.985 -7.732 5.028 1.00 0.00 C ATOM 789 CG ASP A 50 11.099 -7.680 4.001 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.275 -7.819 4.394 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.794 -7.500 2.803 1.00 0.00 O ATOM 0 H ASP A 50 8.869 -6.716 7.796 1.00 0.00 H new ATOM 0 HA ASP A 50 11.292 -6.671 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.896 -8.748 5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.038 -7.489 4.545 1.00 0.00 H new ATOM 796 N ARG A 51 10.217 -4.765 4.829 1.00 0.00 N ATOM 797 CA ARG A 51 9.770 -3.443 4.406 1.00 0.00 C ATOM 798 C ARG A 51 10.104 -3.201 2.936 1.00 0.00 C ATOM 799 O ARG A 51 11.270 -3.225 2.541 1.00 0.00 O ATOM 800 CB ARG A 51 10.418 -2.361 5.271 1.00 0.00 C ATOM 801 CG ARG A 51 9.717 -1.015 5.190 1.00 0.00 C ATOM 802 CD ARG A 51 10.318 -0.014 6.164 1.00 0.00 C ATOM 803 NE ARG A 51 9.998 1.364 5.801 1.00 0.00 N ATOM 804 CZ ARG A 51 10.443 2.422 6.468 1.00 0.00 C ATOM 805 NH1 ARG A 51 11.224 2.262 7.528 1.00 0.00 N ATOM 806 NH2 ARG A 51 10.107 3.645 6.076 1.00 0.00 N ATOM 0 H ARG A 51 10.982 -5.149 4.275 1.00 0.00 H new ATOM 0 HA ARG A 51 8.688 -3.397 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.427 -2.694 6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.457 -2.239 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.791 -0.626 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.656 -1.142 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.948 -0.219 7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.400 -0.140 6.191 1.00 0.00 H new ATOM 0 HE ARG A 51 9.400 1.522 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.484 1.324 7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.564 3.077 8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.506 3.772 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.449 4.457 6.589 1.00 0.00 H new ATOM 820 N VAL A 52 9.072 -2.969 2.131 1.00 0.00 N ATOM 821 CA VAL A 52 9.255 -2.722 0.706 1.00 0.00 C ATOM 822 C VAL A 52 8.826 -1.308 0.333 1.00 0.00 C ATOM 823 O VAL A 52 8.143 -0.631 1.103 1.00 0.00 O ATOM 824 CB VAL A 52 8.459 -3.730 -0.145 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.866 -5.155 0.194 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.964 -3.532 0.057 1.00 0.00 C ATOM 0 H VAL A 52 8.101 -2.947 2.442 1.00 0.00 H new ATOM 0 HA VAL A 52 10.318 -2.842 0.498 1.00 0.00 H new ATOM 0 HB VAL A 52 8.688 -3.553 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.293 -5.852 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.929 -5.287 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.668 -5.349 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.416 -4.252 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.716 -3.681 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.687 -2.521 -0.241 1.00 0.00 H new ATOM 836 N VAL A 53 9.230 -0.866 -0.853 1.00 0.00 N ATOM 837 CA VAL A 53 8.886 0.468 -1.330 1.00 0.00 C ATOM 838 C VAL A 53 7.574 0.453 -2.106 1.00 0.00 C ATOM 839 O VAL A 53 7.340 -0.429 -2.933 1.00 0.00 O ATOM 840 CB VAL A 53 9.995 1.047 -2.228 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.617 2.438 -2.716 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.321 1.076 -1.485 1.00 0.00 C ATOM 0 H VAL A 53 9.796 -1.413 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 53 8.776 1.100 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 53 10.107 0.401 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.413 2.830 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.691 2.383 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.476 3.098 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.093 1.488 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.226 1.698 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.596 0.063 -1.192 1.00 0.00 H new ATOM 852 N ILE A 54 6.721 1.436 -1.836 1.00 0.00 N ATOM 853 CA ILE A 54 5.433 1.537 -2.510 1.00 0.00 C ATOM 854 C ILE A 54 5.424 2.689 -3.509 1.00 0.00 C ATOM 855 O ILE A 54 4.929 2.551 -4.628 1.00 0.00 O ATOM 856 CB ILE A 54 4.284 1.735 -1.504 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.123 0.490 -0.629 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.987 2.047 -2.235 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.886 -0.778 -1.420 1.00 0.00 C ATOM 0 H ILE A 54 6.899 2.174 -1.155 1.00 0.00 H new ATOM 0 HA ILE A 54 5.281 0.597 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 54 4.527 2.580 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.018 0.366 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.289 0.643 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.185 2.184 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.109 2.960 -2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.737 1.221 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.781 -1.620 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.975 -0.674 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.731 -0.955 -2.086 1.00 0.00 H new ATOM 871 N HIS A 55 5.976 3.826 -3.097 1.00 0.00 N ATOM 872 CA HIS A 55 6.034 5.003 -3.957 1.00 0.00 C ATOM 873 C HIS A 55 6.582 4.643 -5.334 1.00 0.00 C ATOM 874 O HIS A 55 7.725 4.204 -5.463 1.00 0.00 O ATOM 875 CB HIS A 55 6.902 6.086 -3.316 1.00 0.00 C ATOM 876 CG HIS A 55 7.032 7.322 -4.152 1.00 0.00 C ATOM 877 ND1 HIS A 55 6.423 8.516 -3.830 1.00 0.00 N ATOM 878 CD2 HIS A 55 7.708 7.545 -5.304 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.717 9.420 -4.748 1.00 0.00 C ATOM 880 NE2 HIS A 55 7.497 8.856 -5.653 1.00 0.00 N ATOM 0 H HIS A 55 6.389 3.957 -2.174 1.00 0.00 H new ATOM 0 HA HIS A 55 5.020 5.385 -4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.478 6.355 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.895 5.679 -3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.303 6.825 -5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.377 10.445 -4.757 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.880 9.319 -6.477 1.00 0.00 H new ATOM 889 N PHE A 56 5.759 4.831 -6.361 1.00 0.00 N ATOM 890 CA PHE A 56 6.161 4.525 -7.729 1.00 0.00 C ATOM 891 C PHE A 56 7.075 3.304 -7.767 1.00 0.00 C ATOM 892 O PHE A 56 8.127 3.321 -8.405 1.00 0.00 O ATOM 893 CB PHE A 56 6.872 5.727 -8.355 1.00 0.00 C ATOM 894 CG PHE A 56 5.933 6.720 -8.978 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.297 6.435 -10.176 1.00 0.00 C ATOM 896 CD2 PHE A 56 5.686 7.938 -8.367 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.433 7.347 -10.752 1.00 0.00 C ATOM 898 CE2 PHE A 56 4.823 8.855 -8.938 1.00 0.00 C ATOM 899 CZ PHE A 56 4.195 8.558 -10.131 1.00 0.00 C ATOM 0 H PHE A 56 4.810 5.194 -6.272 1.00 0.00 H new ATOM 0 HA PHE A 56 5.262 4.303 -8.304 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.463 6.229 -7.589 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.569 5.372 -9.114 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.479 5.489 -10.665 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.174 8.175 -7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.944 7.113 -11.686 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.641 9.802 -8.452 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.519 9.271 -10.578 1.00 0.00 H new ATOM 909 N ASN A 57 6.665 2.244 -7.077 1.00 0.00 N ATOM 910 CA ASN A 57 7.446 1.013 -7.030 1.00 0.00 C ATOM 911 C ASN A 57 6.618 -0.176 -7.507 1.00 0.00 C ATOM 912 O ASN A 57 7.161 -1.180 -7.967 1.00 0.00 O ATOM 913 CB ASN A 57 7.952 0.760 -5.609 1.00 0.00 C ATOM 914 CG ASN A 57 9.228 -0.060 -5.587 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.286 0.407 -6.011 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.134 -1.288 -5.091 1.00 0.00 N ATOM 0 H ASN A 57 5.797 2.213 -6.543 1.00 0.00 H new ATOM 0 HA ASN A 57 8.300 1.128 -7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.128 1.715 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.181 0.242 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.959 -1.886 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.237 -1.633 -4.751 1.00 0.00 H new ATOM 923 N VAL A 58 5.299 -0.054 -7.394 1.00 0.00 N ATOM 924 CA VAL A 58 4.394 -1.118 -7.814 1.00 0.00 C ATOM 925 C VAL A 58 4.275 -1.169 -9.333 1.00 0.00 C ATOM 926 O VAL A 58 3.638 -0.310 -9.945 1.00 0.00 O ATOM 927 CB VAL A 58 2.991 -0.935 -7.206 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.071 -2.067 -7.634 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.076 -0.850 -5.689 1.00 0.00 C ATOM 0 H VAL A 58 4.833 0.771 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 58 4.818 -2.055 -7.453 1.00 0.00 H new ATOM 0 HB VAL A 58 2.572 0.000 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.084 -1.920 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.986 -2.076 -8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.482 -3.018 -7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.076 -0.721 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.515 -1.768 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.698 -0.001 -5.406 1.00 0.00 H new ATOM 939 N ARG A 59 4.890 -2.180 -9.936 1.00 0.00 N ATOM 940 CA ARG A 59 4.853 -2.343 -11.385 1.00 0.00 C ATOM 941 C ARG A 59 3.482 -2.832 -11.842 1.00 0.00 C ATOM 942 O ARG A 59 2.977 -2.410 -12.883 1.00 0.00 O ATOM 943 CB ARG A 59 5.934 -3.328 -11.836 1.00 0.00 C ATOM 944 CG ARG A 59 6.348 -3.154 -13.288 1.00 0.00 C ATOM 945 CD ARG A 59 7.013 -1.806 -13.520 1.00 0.00 C ATOM 946 NE ARG A 59 7.908 -1.829 -14.674 1.00 0.00 N ATOM 947 CZ ARG A 59 9.136 -2.334 -14.641 1.00 0.00 C ATOM 948 NH1 ARG A 59 9.612 -2.856 -13.518 1.00 0.00 N ATOM 949 NH2 ARG A 59 9.891 -2.319 -15.732 1.00 0.00 N ATOM 0 H ARG A 59 5.420 -2.899 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 59 5.043 -1.371 -11.840 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.811 -3.208 -11.200 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.571 -4.345 -11.690 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.034 -3.953 -13.570 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.472 -3.244 -13.931 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.247 -1.045 -13.670 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.575 -1.521 -12.631 1.00 0.00 H new ATOM 0 HE ARG A 59 7.572 -1.436 -15.553 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.035 -2.870 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.555 -3.243 -13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.529 -1.919 -16.598 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.834 -2.707 -15.705 1.00 0.00 H new ATOM 963 N ASP A 60 2.885 -3.723 -11.058 1.00 0.00 N ATOM 964 CA ASP A 60 1.572 -4.268 -11.382 1.00 0.00 C ATOM 965 C ASP A 60 0.929 -4.903 -10.153 1.00 0.00 C ATOM 966 O ASP A 60 1.569 -5.047 -9.110 1.00 0.00 O ATOM 967 CB ASP A 60 1.688 -5.302 -12.503 1.00 0.00 C ATOM 968 CG ASP A 60 2.266 -4.713 -13.775 1.00 0.00 C ATOM 969 OD1 ASP A 60 1.504 -4.082 -14.537 1.00 0.00 O ATOM 970 OD2 ASP A 60 3.481 -4.884 -14.010 1.00 0.00 O ATOM 0 H ASP A 60 3.290 -4.083 -10.194 1.00 0.00 H new ATOM 0 HA ASP A 60 0.938 -3.447 -11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.317 -6.127 -12.169 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.703 -5.718 -12.713 1.00 0.00 H new ATOM 975 N ILE A 61 -0.338 -5.280 -10.282 1.00 0.00 N ATOM 976 CA ILE A 61 -1.067 -5.899 -9.182 1.00 0.00 C ATOM 977 C ILE A 61 -2.175 -6.810 -9.700 1.00 0.00 C ATOM 978 O ILE A 61 -3.101 -6.359 -10.374 1.00 0.00 O ATOM 979 CB ILE A 61 -1.683 -4.841 -8.248 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.581 -4.010 -7.586 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.556 -5.507 -7.196 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.108 -2.884 -6.725 1.00 0.00 C ATOM 0 H ILE A 61 -0.882 -5.168 -11.138 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.345 -6.492 -8.620 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.308 -4.174 -8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.039 -4.665 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.063 -3.594 -8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.984 -4.746 -6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.359 -6.059 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.952 -6.194 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.272 -2.338 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.704 -2.206 -7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.729 -3.295 -5.929 1.00 0.00 H new ATOM 994 N LYS A 62 -2.074 -8.096 -9.380 1.00 0.00 N ATOM 995 CA LYS A 62 -3.068 -9.072 -9.810 1.00 0.00 C ATOM 996 C LYS A 62 -3.970 -9.478 -8.648 1.00 0.00 C ATOM 997 O LYS A 62 -3.516 -9.599 -7.510 1.00 0.00 O ATOM 998 CB LYS A 62 -2.381 -10.309 -10.392 1.00 0.00 C ATOM 999 CG LYS A 62 -1.677 -10.048 -11.713 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.900 -11.268 -12.181 1.00 0.00 C ATOM 1001 CE LYS A 62 -0.610 -11.205 -13.673 1.00 0.00 C ATOM 1002 NZ LYS A 62 0.681 -10.519 -13.958 1.00 0.00 N ATOM 0 H LYS A 62 -1.313 -8.486 -8.824 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.684 -8.610 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.655 -10.684 -9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.124 -11.094 -10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.411 -9.771 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.998 -9.203 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.038 -11.337 -11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.469 -12.171 -11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.582 -12.216 -14.081 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.420 -10.679 -14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.843 -10.496 -14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.646 -9.546 -13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.457 -11.035 -13.497 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.249 -9.688 -8.943 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.213 -10.083 -7.923 1.00 0.00 C ATOM 1018 C VAL A 63 -7.192 -11.119 -8.465 1.00 0.00 C ATOM 1019 O VAL A 63 -7.719 -10.974 -9.567 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.004 -8.870 -7.398 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.084 -9.317 -6.425 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.066 -7.866 -6.744 1.00 0.00 C ATOM 0 H VAL A 63 -5.641 -9.591 -9.880 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.644 -10.519 -7.102 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.490 -8.382 -8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.632 -8.446 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.771 -9.995 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.623 -9.830 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.641 -7.015 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.550 -8.340 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.334 -7.522 -7.475 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.433 -12.165 -7.680 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.349 -13.210 -8.098 1.00 0.00 C ATOM 1034 C GLY A 64 -7.893 -13.910 -9.363 1.00 0.00 C ATOM 1035 O GLY A 64 -6.725 -14.278 -9.489 1.00 0.00 O ATOM 0 H GLY A 64 -7.010 -12.307 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.449 -13.943 -7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.337 -12.779 -8.261 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.816 -14.094 -10.301 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.502 -14.756 -11.562 1.00 0.00 C ATOM 1041 C GLN A 65 -7.109 -14.370 -12.047 1.00 0.00 C ATOM 1042 O GLN A 65 -6.299 -15.233 -12.385 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.543 -14.397 -12.624 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.168 -14.858 -14.023 1.00 0.00 C ATOM 1045 CD GLN A 65 -10.182 -14.435 -15.068 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -10.530 -13.258 -15.171 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -10.661 -15.394 -15.851 1.00 0.00 N ATOM 0 H GLN A 65 -9.787 -13.794 -10.212 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.522 -15.833 -11.393 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.499 -14.841 -12.348 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.684 -13.316 -12.632 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.191 -14.453 -14.285 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.075 -15.944 -14.031 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.345 -16.356 -15.731 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.345 -15.169 -16.573 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.838 -13.069 -12.079 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.542 -12.571 -12.525 1.00 0.00 C ATOM 1058 C GLU A 66 -4.416 -13.488 -12.058 1.00 0.00 C ATOM 1059 O GLU A 66 -3.576 -13.913 -12.853 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.309 -11.152 -12.001 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.429 -10.185 -12.345 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.039 -8.737 -12.118 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -4.956 -8.334 -12.590 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -6.818 -8.007 -11.469 1.00 0.00 O ATOM 0 H GLU A 66 -7.497 -12.342 -11.802 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.544 -12.553 -13.615 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.192 -11.188 -10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.373 -10.772 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.714 -10.321 -13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.306 -10.420 -11.741 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.404 -13.790 -10.764 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.381 -14.656 -10.190 1.00 0.00 C ATOM 1073 C CYS A 67 -3.643 -16.116 -10.544 1.00 0.00 C ATOM 1074 O CYS A 67 -4.658 -16.688 -10.146 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.335 -14.487 -8.671 1.00 0.00 C ATOM 1076 SG CYS A 67 -2.951 -12.806 -8.126 1.00 0.00 S ATOM 0 H CYS A 67 -5.092 -13.448 -10.093 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.418 -14.367 -10.610 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.298 -14.781 -8.254 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.589 -15.169 -8.263 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.999 -12.749 -6.828 1.00 0.00 H new ATOM 1144 N PRO A 72 -4.925 -20.996 -3.620 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.707 -20.392 -2.537 1.00 0.00 C ATOM 1146 C PRO A 72 -5.790 -21.294 -1.310 1.00 0.00 C ATOM 1147 O PRO A 72 -5.891 -22.517 -1.415 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.093 -20.208 -3.160 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.165 -21.238 -4.234 1.00 0.00 C ATOM 1150 CD PRO A 72 -5.766 -21.381 -4.766 1.00 0.00 C ATOM 0 HA PRO A 72 -5.259 -19.465 -2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.881 -20.351 -2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.215 -19.204 -3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.532 -22.186 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.853 -20.932 -5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.561 -22.401 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.595 -20.733 -5.626 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.748 -20.680 -0.119 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.818 -21.409 1.151 1.00 0.00 C ATOM 1160 C PRO A 73 -7.198 -22.008 1.399 1.00 0.00 C ATOM 1161 O PRO A 73 -8.179 -21.613 0.769 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.507 -20.334 2.195 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.904 -19.051 1.548 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.629 -19.225 0.080 1.00 0.00 C ATOM 0 HA PRO A 73 -5.132 -22.255 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.066 -20.503 3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.450 -20.333 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.958 -18.835 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.334 -18.216 1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.345 -18.676 -0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.637 -18.862 -0.189 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.266 -22.964 2.321 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.527 -23.618 2.651 1.00 0.00 C ATOM 1174 C GLU A 74 -9.492 -22.637 3.310 1.00 0.00 C ATOM 1175 O GLU A 74 -9.127 -21.921 4.242 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.282 -24.810 3.578 1.00 0.00 C ATOM 1177 CG GLU A 74 -9.558 -25.478 4.061 1.00 0.00 C ATOM 1178 CD GLU A 74 -9.397 -26.129 5.421 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -8.254 -26.483 5.779 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -10.415 -26.285 6.128 1.00 0.00 O ATOM 0 H GLU A 74 -6.463 -23.302 2.852 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.975 -23.975 1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.672 -25.547 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.708 -24.476 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.356 -24.737 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.866 -26.231 3.336 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.727 -22.609 2.818 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.726 -21.713 3.369 1.00 0.00 C ATOM 1189 C GLY A 75 -11.970 -20.504 2.488 1.00 0.00 C ATOM 1190 O GLY A 75 -13.090 -20.277 2.030 1.00 0.00 O ATOM 0 H GLY A 75 -11.053 -23.192 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.662 -22.256 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.406 -21.380 4.356 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.920 -19.725 2.251 1.00 0.00 N ATOM 1195 CA ARG A 76 -11.026 -18.531 1.422 1.00 0.00 C ATOM 1196 C ARG A 76 -11.371 -18.898 -0.019 1.00 0.00 C ATOM 1197 O ARG A 76 -11.541 -20.073 -0.347 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.717 -17.740 1.458 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.589 -16.829 2.668 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.850 -17.583 3.963 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.732 -16.717 5.133 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.322 -16.969 6.296 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.068 -18.055 6.444 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -10.166 -16.133 7.315 1.00 0.00 N ATOM 0 H ARG A 76 -9.986 -19.900 2.622 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.828 -17.911 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.880 -18.438 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.640 -17.139 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.590 -16.395 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.294 -16.002 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.849 -18.019 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.144 -18.409 4.050 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.166 -15.873 5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.190 -18.700 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.520 -18.245 7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.593 -15.296 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.619 -16.327 8.208 1.00 0.00 H new ATOM 1218 N SER A 77 -11.473 -17.886 -0.874 1.00 0.00 N ATOM 1219 CA SER A 77 -11.801 -18.102 -2.278 1.00 0.00 C ATOM 1220 C SER A 77 -10.728 -17.507 -3.185 1.00 0.00 C ATOM 1221 O SER A 77 -9.903 -16.706 -2.746 1.00 0.00 O ATOM 1222 CB SER A 77 -13.162 -17.485 -2.606 1.00 0.00 C ATOM 1223 OG SER A 77 -14.217 -18.254 -2.056 1.00 0.00 O ATOM 0 H SER A 77 -11.333 -16.908 -0.619 1.00 0.00 H new ATOM 0 HA SER A 77 -11.845 -19.177 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.207 -16.468 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.283 -17.417 -3.687 1.00 0.00 H new ATOM 0 HG SER A 77 -15.076 -17.838 -2.278 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.746 -17.906 -4.453 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.775 -17.414 -5.422 1.00 0.00 C ATOM 1231 C ARG A 78 -9.801 -15.890 -5.493 1.00 0.00 C ATOM 1232 O ARG A 78 -8.755 -15.243 -5.532 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.058 -18.005 -6.805 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.647 -19.462 -6.941 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.318 -19.816 -8.382 1.00 0.00 C ATOM 1236 NE ARG A 78 -10.421 -19.504 -9.288 1.00 0.00 N ATOM 1237 CZ ARG A 78 -10.587 -20.084 -10.471 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -9.726 -21.002 -10.890 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -11.615 -19.747 -11.239 1.00 0.00 N ATOM 0 H ARG A 78 -11.422 -18.568 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.783 -17.728 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.123 -17.916 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.532 -17.416 -7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.780 -19.657 -6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.452 -20.103 -6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.427 -19.272 -8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.083 -20.878 -8.450 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.101 -18.802 -8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.934 -21.264 -10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.856 -21.446 -11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.279 -19.041 -10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.741 -20.194 -12.147 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.003 -15.325 -5.511 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.166 -13.877 -5.577 1.00 0.00 C ATOM 1255 C ASP A 79 -10.392 -13.192 -4.455 1.00 0.00 C ATOM 1256 O ASP A 79 -10.143 -11.988 -4.505 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.647 -13.505 -5.493 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.361 -13.666 -6.821 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -12.943 -13.014 -7.801 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.337 -14.442 -6.880 1.00 0.00 O ATOM 0 H ASP A 79 -11.879 -15.847 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.767 -13.534 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.134 -14.130 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.741 -12.473 -5.156 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.016 -13.967 -3.442 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.276 -13.417 -2.322 1.00 0.00 C ATOM 1267 C GLY A 80 -7.814 -13.188 -2.649 1.00 0.00 C ATOM 1268 O GLY A 80 -7.193 -12.257 -2.134 1.00 0.00 O ATOM 0 H GLY A 80 -10.211 -14.966 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.729 -12.473 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.353 -14.095 -1.472 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.261 -14.040 -3.506 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.861 -13.927 -3.900 1.00 0.00 C ATOM 1274 C LEU A 81 -5.507 -12.485 -4.247 1.00 0.00 C ATOM 1275 O LEU A 81 -6.362 -11.711 -4.680 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.573 -14.836 -5.096 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.123 -16.259 -4.765 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -5.856 -16.779 -3.538 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.349 -17.181 -5.954 1.00 0.00 C ATOM 0 H LEU A 81 -7.760 -14.816 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.246 -14.240 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.473 -14.894 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.803 -14.366 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.056 -16.239 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.523 -17.793 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.642 -16.134 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.929 -16.783 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.023 -18.189 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.409 -17.196 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.777 -16.819 -6.809 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.241 -12.129 -4.056 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.773 -10.779 -4.350 1.00 0.00 C ATOM 1293 C LEU A 82 -2.248 -10.725 -4.371 1.00 0.00 C ATOM 1294 O LEU A 82 -1.597 -10.857 -3.334 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.316 -9.793 -3.315 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.526 -8.495 -3.146 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.814 -7.540 -4.294 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.854 -7.841 -1.811 1.00 0.00 C ATOM 0 H LEU A 82 -3.521 -12.756 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.142 -10.499 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.340 -9.539 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.359 -10.297 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.463 -8.736 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.243 -6.622 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.528 -8.007 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.878 -7.305 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.283 -6.918 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.919 -7.615 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.595 -8.521 -0.999 1.00 0.00 H new ATOM 1310 N THR A 83 -1.684 -10.526 -5.558 1.00 0.00 N ATOM 1311 CA THR A 83 -0.237 -10.453 -5.714 1.00 0.00 C ATOM 1312 C THR A 83 0.203 -9.046 -6.104 1.00 0.00 C ATOM 1313 O THR A 83 -0.380 -8.427 -6.994 1.00 0.00 O ATOM 1314 CB THR A 83 0.265 -11.448 -6.777 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.284 -12.747 -6.529 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.784 -11.525 -6.772 1.00 0.00 C ATOM 0 H THR A 83 -2.208 -10.412 -6.426 1.00 0.00 H new ATOM 0 HA THR A 83 0.198 -10.714 -4.749 1.00 0.00 H new ATOM 0 HB THR A 83 -0.062 -11.096 -7.756 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.128 -12.844 -7.017 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.115 -12.234 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.199 -10.541 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.128 -11.856 -5.792 1.00 0.00 H new ATOM 1324 N VAL A 84 1.236 -8.547 -5.433 1.00 0.00 N ATOM 1325 CA VAL A 84 1.755 -7.213 -5.711 1.00 0.00 C ATOM 1326 C VAL A 84 3.163 -7.282 -6.293 1.00 0.00 C ATOM 1327 O VAL A 84 4.043 -7.939 -5.739 1.00 0.00 O ATOM 1328 CB VAL A 84 1.780 -6.344 -4.439 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.360 -4.971 -4.742 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.383 -6.224 -3.850 1.00 0.00 C ATOM 0 H VAL A 84 1.730 -9.046 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 84 1.085 -6.758 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 84 2.421 -6.827 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.370 -4.371 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.378 -5.080 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.748 -4.476 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.418 -5.607 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.282 -5.763 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.010 -7.216 -3.594 1.00 0.00 H new ATOM 1340 N ASN A 85 3.367 -6.599 -7.414 1.00 0.00 N ATOM 1341 CA ASN A 85 4.669 -6.582 -8.073 1.00 0.00 C ATOM 1342 C ASN A 85 5.487 -5.373 -7.631 1.00 0.00 C ATOM 1343 O ASN A 85 4.956 -4.271 -7.481 1.00 0.00 O ATOM 1344 CB ASN A 85 4.494 -6.566 -9.593 1.00 0.00 C ATOM 1345 CG ASN A 85 4.411 -7.962 -10.180 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.343 -8.427 -10.836 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.291 -8.636 -9.947 1.00 0.00 N ATOM 0 H ASN A 85 2.648 -6.050 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 85 5.206 -7.486 -7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.589 -6.014 -9.846 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.330 -6.033 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.177 -9.580 -10.317 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.545 -8.210 -9.398 1.00 0.00 H new ATOM 1354 N LEU A 86 6.781 -5.585 -7.423 1.00 0.00 N ATOM 1355 CA LEU A 86 7.674 -4.512 -6.999 1.00 0.00 C ATOM 1356 C LEU A 86 8.758 -4.261 -8.043 1.00 0.00 C ATOM 1357 O LEU A 86 9.230 -5.190 -8.698 1.00 0.00 O ATOM 1358 CB LEU A 86 8.316 -4.859 -5.654 1.00 0.00 C ATOM 1359 CG LEU A 86 7.352 -5.207 -4.520 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.116 -5.710 -3.305 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.500 -4.000 -4.154 1.00 0.00 C ATOM 0 H LEU A 86 7.236 -6.490 -7.541 1.00 0.00 H new ATOM 0 HA LEU A 86 7.083 -3.602 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.990 -5.703 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.928 -4.014 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 86 6.691 -6.003 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.413 -5.953 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.681 -6.602 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.802 -4.936 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.820 -4.267 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.146 -3.183 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.924 -3.684 -5.024 1.00 0.00 H new ATOM 1373 N ARG A 87 9.149 -2.999 -8.190 1.00 0.00 N ATOM 1374 CA ARG A 87 10.178 -2.625 -9.153 1.00 0.00 C ATOM 1375 C ARG A 87 11.505 -3.301 -8.820 1.00 0.00 C ATOM 1376 O ARG A 87 12.179 -3.832 -9.701 1.00 0.00 O ATOM 1377 CB ARG A 87 10.358 -1.106 -9.175 1.00 0.00 C ATOM 1378 CG ARG A 87 9.443 -0.399 -10.162 1.00 0.00 C ATOM 1379 CD ARG A 87 10.062 0.896 -10.665 1.00 0.00 C ATOM 1380 NE ARG A 87 9.082 1.746 -11.336 1.00 0.00 N ATOM 1381 CZ ARG A 87 9.408 2.791 -12.088 1.00 0.00 C ATOM 1382 NH1 ARG A 87 10.682 3.113 -12.265 1.00 0.00 N ATOM 1383 NH2 ARG A 87 8.459 3.517 -12.665 1.00 0.00 N ATOM 0 H ARG A 87 8.769 -2.219 -7.655 1.00 0.00 H new ATOM 0 HA ARG A 87 9.857 -2.960 -10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.174 -0.712 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.394 -0.875 -9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.238 -1.058 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.487 -0.185 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.499 1.439 -9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.875 0.666 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 87 8.093 1.525 -11.221 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.415 2.558 -11.823 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.929 3.916 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.478 3.273 -12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.711 4.319 -13.242 1.00 0.00 H new ATOM 1397 N GLU A 88 11.873 -3.275 -7.543 1.00 0.00 N ATOM 1398 CA GLU A 88 13.120 -3.883 -7.095 1.00 0.00 C ATOM 1399 C GLU A 88 13.408 -5.166 -7.870 1.00 0.00 C ATOM 1400 O GLU A 88 14.523 -5.381 -8.344 1.00 0.00 O ATOM 1401 CB GLU A 88 13.057 -4.183 -5.596 1.00 0.00 C ATOM 1402 CG GLU A 88 11.889 -5.071 -5.201 1.00 0.00 C ATOM 1403 CD GLU A 88 11.669 -5.111 -3.701 1.00 0.00 C ATOM 1404 OE1 GLU A 88 10.995 -4.201 -3.175 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.170 -6.054 -3.053 1.00 0.00 O ATOM 0 H GLU A 88 11.325 -2.840 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 88 13.928 -3.176 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.987 -4.663 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.989 -3.243 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.983 -4.711 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.067 -6.083 -5.566 1.00 0.00 H new ATOM 1412 N GLY A 89 12.394 -6.017 -7.993 1.00 0.00 N ATOM 1413 CA GLY A 89 12.558 -7.268 -8.710 1.00 0.00 C ATOM 1414 C GLY A 89 11.999 -8.452 -7.945 1.00 0.00 C ATOM 1415 O GLY A 89 12.640 -9.499 -7.853 1.00 0.00 O ATOM 0 H GLY A 89 11.462 -5.862 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.061 -7.197 -9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.617 -7.434 -8.907 1.00 0.00 H new ATOM 1419 N SER A 90 10.801 -8.286 -7.393 1.00 0.00 N ATOM 1420 CA SER A 90 10.159 -9.348 -6.628 1.00 0.00 C ATOM 1421 C SER A 90 8.660 -9.093 -6.497 1.00 0.00 C ATOM 1422 O SER A 90 8.194 -7.966 -6.669 1.00 0.00 O ATOM 1423 CB SER A 90 10.792 -9.459 -5.239 1.00 0.00 C ATOM 1424 OG SER A 90 10.649 -10.769 -4.717 1.00 0.00 O ATOM 0 H SER A 90 10.256 -7.427 -7.461 1.00 0.00 H new ATOM 0 HA SER A 90 10.305 -10.287 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.849 -9.200 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.324 -8.742 -4.564 1.00 0.00 H new ATOM 0 HG SER A 90 11.063 -10.815 -3.830 1.00 0.00 H new ATOM 1430 N ARG A 91 7.911 -10.147 -6.191 1.00 0.00 N ATOM 1431 CA ARG A 91 6.465 -10.039 -6.038 1.00 0.00 C ATOM 1432 C ARG A 91 6.042 -10.389 -4.615 1.00 0.00 C ATOM 1433 O ARG A 91 6.809 -10.981 -3.855 1.00 0.00 O ATOM 1434 CB ARG A 91 5.756 -10.958 -7.034 1.00 0.00 C ATOM 1435 CG ARG A 91 6.102 -12.428 -6.860 1.00 0.00 C ATOM 1436 CD ARG A 91 6.002 -13.184 -8.175 1.00 0.00 C ATOM 1437 NE ARG A 91 6.708 -14.461 -8.127 1.00 0.00 N ATOM 1438 CZ ARG A 91 8.022 -14.582 -8.284 1.00 0.00 C ATOM 1439 NH1 ARG A 91 8.768 -13.507 -8.498 1.00 0.00 N ATOM 1440 NH2 ARG A 91 8.591 -15.779 -8.227 1.00 0.00 N ATOM 0 H ARG A 91 8.282 -11.086 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 91 6.179 -9.007 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.678 -10.832 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.015 -10.650 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.113 -12.520 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.430 -12.877 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.953 -13.359 -8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.414 -12.572 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 91 6.162 -15.307 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.333 -12.585 -8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.776 -13.602 -8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.020 -16.608 -8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.600 -15.870 -8.348 1.00 0.00 H new ATOM 1454 N LEU A 92 4.816 -10.020 -4.261 1.00 0.00 N ATOM 1455 CA LEU A 92 4.289 -10.294 -2.928 1.00 0.00 C ATOM 1456 C LEU A 92 3.012 -11.124 -3.008 1.00 0.00 C ATOM 1457 O LEU A 92 1.956 -10.622 -3.397 1.00 0.00 O ATOM 1458 CB LEU A 92 4.015 -8.984 -2.187 1.00 0.00 C ATOM 1459 CG LEU A 92 5.180 -8.414 -1.378 1.00 0.00 C ATOM 1460 CD1 LEU A 92 5.012 -6.916 -1.182 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.293 -9.120 -0.034 1.00 0.00 C ATOM 0 H LEU A 92 4.168 -9.530 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 92 5.037 -10.865 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.705 -8.236 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.173 -9.141 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 92 6.101 -8.586 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.851 -6.528 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.982 -6.423 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.082 -6.721 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.128 -8.701 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.370 -8.981 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.462 -10.185 -0.195 1.00 0.00 H new ATOM 1473 N HIS A 93 3.114 -12.395 -2.634 1.00 0.00 N ATOM 1474 CA HIS A 93 1.966 -13.295 -2.661 1.00 0.00 C ATOM 1475 C HIS A 93 1.117 -13.129 -1.404 1.00 0.00 C ATOM 1476 O HIS A 93 1.537 -13.495 -0.306 1.00 0.00 O ATOM 1477 CB HIS A 93 2.430 -14.746 -2.789 1.00 0.00 C ATOM 1478 CG HIS A 93 2.811 -15.132 -4.185 1.00 0.00 C ATOM 1479 ND1 HIS A 93 4.118 -15.185 -4.621 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.048 -15.487 -5.245 1.00 0.00 C ATOM 1481 CE1 HIS A 93 4.142 -15.554 -5.889 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.899 -15.744 -6.291 1.00 0.00 N ATOM 0 H HIS A 93 3.980 -12.825 -2.309 1.00 0.00 H new ATOM 0 HA HIS A 93 1.356 -13.040 -3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.284 -14.905 -2.131 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.634 -15.405 -2.443 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.970 -15.555 -5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.028 -15.679 -6.494 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.617 -16.035 -7.227 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.079 -12.574 -1.572 1.00 0.00 N ATOM 1492 CA LEU A 94 -0.987 -12.359 -0.452 1.00 0.00 C ATOM 1493 C LEU A 94 -2.383 -12.883 -0.773 1.00 0.00 C ATOM 1494 O LEU A 94 -2.688 -13.197 -1.924 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.056 -10.870 -0.104 1.00 0.00 C ATOM 1496 CG LEU A 94 0.286 -10.150 0.034 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.086 -8.643 0.029 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.999 -10.591 1.304 1.00 0.00 C ATOM 0 H LEU A 94 -0.442 -12.265 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.602 -12.909 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.639 -10.364 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.602 -10.761 0.833 1.00 0.00 H new ATOM 0 HG LEU A 94 0.909 -10.416 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.052 -8.147 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.382 -8.341 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.555 -8.358 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.952 -10.069 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.380 -10.355 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.176 -11.666 1.267 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.226 -12.972 0.249 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.590 -13.456 0.076 1.00 0.00 C ATOM 1512 C CYS A 95 -5.526 -12.827 1.103 1.00 0.00 C ATOM 1513 O CYS A 95 -5.302 -12.933 2.308 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.632 -14.981 0.196 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.282 -15.652 0.503 1.00 0.00 S ATOM 0 H CYS A 95 -2.988 -12.715 1.207 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.927 -13.168 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.239 -15.418 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.970 -15.289 1.005 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.094 -14.684 0.808 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.574 -12.170 0.616 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.544 -11.524 1.492 1.00 0.00 C ATOM 1523 C ALA A 96 -8.633 -12.501 1.921 1.00 0.00 C ATOM 1524 O ALA A 96 -8.590 -13.682 1.577 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.158 -10.317 0.799 1.00 0.00 C ATOM 0 H ALA A 96 -6.773 -12.071 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.021 -11.188 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.880 -9.844 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.373 -9.603 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.661 -10.638 -0.113 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.608 -12.001 2.673 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.708 -12.831 3.150 1.00 0.00 C ATOM 1533 C GLU A 97 -11.925 -12.698 2.239 1.00 0.00 C ATOM 1534 O GLU A 97 -12.688 -13.647 2.059 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.084 -12.446 4.582 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.627 -11.033 4.709 1.00 0.00 C ATOM 1537 CD GLU A 97 -10.541 -10.014 4.994 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -9.352 -10.348 4.815 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -10.882 -8.881 5.394 1.00 0.00 O ATOM 0 H GLU A 97 -9.659 -11.025 2.965 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.377 -13.870 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.830 -13.148 4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.205 -12.547 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.142 -10.762 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.367 -11.003 5.509 1.00 0.00 H new ATOM 1546 N THR A 98 -12.101 -11.511 1.667 1.00 0.00 N ATOM 1547 CA THR A 98 -13.225 -11.251 0.776 1.00 0.00 C ATOM 1548 C THR A 98 -12.775 -10.503 -0.474 1.00 0.00 C ATOM 1549 O THR A 98 -11.794 -9.759 -0.444 1.00 0.00 O ATOM 1550 CB THR A 98 -14.323 -10.433 1.482 1.00 0.00 C ATOM 1551 OG1 THR A 98 -13.803 -9.161 1.886 1.00 0.00 O ATOM 1552 CG2 THR A 98 -14.855 -11.177 2.697 1.00 0.00 C ATOM 0 H THR A 98 -11.479 -10.714 1.805 1.00 0.00 H new ATOM 0 HA THR A 98 -13.632 -12.221 0.489 1.00 0.00 H new ATOM 0 HB THR A 98 -15.143 -10.284 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 98 -13.489 -9.215 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.629 -10.580 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.276 -12.132 2.383 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.042 -11.353 3.401 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.497 -10.705 -1.571 1.00 0.00 N ATOM 1561 CA ARG A 99 -13.171 -10.050 -2.832 1.00 0.00 C ATOM 1562 C ARG A 99 -13.124 -8.534 -2.661 1.00 0.00 C ATOM 1563 O ARG A 99 -12.241 -7.866 -3.199 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.198 -10.421 -3.904 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.571 -9.813 -3.669 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.571 -10.274 -4.718 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.948 -9.993 -4.321 1.00 0.00 N ATOM 1568 CZ ARG A 99 -19.008 -10.532 -4.914 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.849 -11.375 -5.925 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -20.230 -10.227 -4.496 1.00 0.00 N ATOM 0 H ARG A 99 -14.312 -11.317 -1.612 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.186 -10.394 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.828 -10.097 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.293 -11.506 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.928 -10.091 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.497 -8.726 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.358 -9.778 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.453 -11.345 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.105 -9.348 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.911 -11.611 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -19.664 -11.787 -6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -20.356 -9.578 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -21.043 -10.641 -4.952 1.00 0.00 H new ATOM 1584 N ASP A 100 -14.079 -7.999 -1.909 1.00 0.00 N ATOM 1585 CA ASP A 100 -14.146 -6.563 -1.666 1.00 0.00 C ATOM 1586 C ASP A 100 -12.838 -6.050 -1.072 1.00 0.00 C ATOM 1587 O ASP A 100 -12.252 -5.089 -1.572 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.309 -6.236 -0.728 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.830 -4.825 -0.921 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -16.609 -4.605 -1.872 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -15.460 -3.942 -0.120 1.00 0.00 O ATOM 0 H ASP A 100 -14.818 -8.538 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.310 -6.066 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.119 -6.946 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.985 -6.362 0.305 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.386 -6.696 -0.003 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.147 -6.306 0.659 1.00 0.00 C ATOM 1598 C ASP A 101 -9.978 -6.327 -0.320 1.00 0.00 C ATOM 1599 O ASP A 101 -9.231 -5.355 -0.430 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.859 -7.238 1.837 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.584 -6.817 3.100 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -11.084 -5.909 3.796 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -12.652 -7.396 3.393 1.00 0.00 O ATOM 0 H ASP A 101 -12.859 -7.492 0.424 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.267 -5.289 1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.154 -8.254 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.786 -7.257 2.027 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.825 -7.441 -1.028 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.747 -7.587 -1.998 1.00 0.00 C ATOM 1610 C ALA A 102 -8.671 -6.376 -2.922 1.00 0.00 C ATOM 1611 O ALA A 102 -7.611 -5.771 -3.081 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.937 -8.861 -2.809 1.00 0.00 C ATOM 0 H ALA A 102 -10.434 -8.255 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.806 -7.653 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.125 -8.958 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.933 -9.722 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.889 -8.817 -3.338 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.801 -6.028 -3.528 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.862 -4.889 -4.434 1.00 0.00 C ATOM 1620 C ILE A 103 -9.452 -3.601 -3.728 1.00 0.00 C ATOM 1621 O ILE A 103 -8.744 -2.769 -4.294 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.274 -4.711 -5.022 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.670 -5.944 -5.838 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.336 -3.458 -5.882 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.142 -5.996 -6.179 1.00 0.00 C ATOM 0 H ILE A 103 -10.687 -6.519 -3.408 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.163 -5.095 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.982 -4.599 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.091 -5.960 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.403 -6.841 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.340 -3.346 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.093 -2.587 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.619 -3.542 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.350 -6.896 -6.758 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.728 -6.012 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.411 -5.117 -6.766 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.901 -3.445 -2.487 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.578 -2.261 -1.701 1.00 0.00 C ATOM 1639 C ALA A 104 -8.073 -2.017 -1.669 1.00 0.00 C ATOM 1640 O ALA A 104 -7.612 -0.897 -1.888 1.00 0.00 O ATOM 1641 CB ALA A 104 -10.121 -2.402 -0.286 1.00 0.00 C ATOM 0 H ALA A 104 -10.490 -4.124 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.050 -1.401 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.872 -1.510 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.204 -2.520 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.676 -3.276 0.189 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.313 -3.071 -1.395 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.859 -2.970 -1.334 1.00 0.00 C ATOM 1649 C TRP A 105 -5.288 -2.522 -2.675 1.00 0.00 C ATOM 1650 O TRP A 105 -4.448 -1.625 -2.734 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.251 -4.314 -0.929 1.00 0.00 C ATOM 1652 CG TRP A 105 -5.137 -4.491 0.555 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.791 -5.412 1.322 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.321 -3.727 1.449 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.431 -5.266 2.640 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.529 -4.240 2.744 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.433 -2.661 1.282 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.883 -3.721 3.863 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.792 -2.147 2.393 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -3.019 -2.677 3.670 1.00 0.00 C ATOM 0 H TRP A 105 -7.679 -4.005 -1.212 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.602 -2.222 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.862 -5.119 -1.338 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.261 -4.406 -1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.488 -6.147 0.948 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.779 -5.830 3.415 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.251 -2.246 0.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.057 -4.128 4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -2.104 -1.323 2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.502 -2.254 4.519 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.749 -3.153 -3.750 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.286 -2.819 -5.091 1.00 0.00 C ATOM 1673 C LYS A 106 -5.359 -1.314 -5.333 1.00 0.00 C ATOM 1674 O LYS A 106 -4.458 -0.726 -5.931 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.121 -3.556 -6.140 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.903 -3.052 -7.556 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.217 -4.124 -8.585 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.696 -3.745 -9.962 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.477 -4.397 -11.050 1.00 0.00 N ATOM 0 H LYS A 106 -6.444 -3.899 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.246 -3.133 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.882 -4.619 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.177 -3.457 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.533 -2.180 -7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.869 -2.727 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.772 -5.069 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.295 -4.279 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.740 -2.663 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.648 -4.032 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.090 -4.113 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.414 -5.430 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.473 -4.103 -10.987 1.00 0.00 H new ATOM 1693 N THR A 107 -6.438 -0.696 -4.863 1.00 0.00 N ATOM 1694 CA THR A 107 -6.629 0.740 -5.028 1.00 0.00 C ATOM 1695 C THR A 107 -5.709 1.527 -4.102 1.00 0.00 C ATOM 1696 O THR A 107 -5.082 2.501 -4.515 1.00 0.00 O ATOM 1697 CB THR A 107 -8.088 1.148 -4.752 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.969 0.440 -5.631 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.275 2.646 -4.937 1.00 0.00 C ATOM 0 H THR A 107 -7.193 -1.167 -4.365 1.00 0.00 H new ATOM 0 HA THR A 107 -6.384 0.974 -6.064 1.00 0.00 H new ATOM 0 HB THR A 107 -8.324 0.893 -3.719 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.895 0.704 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.313 2.911 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.624 3.182 -4.246 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.022 2.921 -5.961 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.633 1.097 -2.846 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.788 1.760 -1.862 1.00 0.00 C ATOM 1709 C ALA A 108 -3.317 1.674 -2.254 1.00 0.00 C ATOM 1710 O ALA A 108 -2.521 2.553 -1.920 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.005 1.152 -0.484 1.00 0.00 C ATOM 0 H ALA A 108 -6.147 0.292 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.068 2.813 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.367 1.657 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.049 1.271 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.755 0.091 -0.511 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.960 0.609 -2.964 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.583 0.407 -3.402 1.00 0.00 C ATOM 1719 C LEU A 109 -1.317 1.136 -4.715 1.00 0.00 C ATOM 1720 O LEU A 109 -0.359 1.899 -4.829 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.294 -1.086 -3.566 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.335 -1.922 -2.287 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.456 -3.401 -2.620 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.097 -1.664 -1.441 1.00 0.00 C ATOM 0 H LEU A 109 -3.605 -0.128 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.921 0.817 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.016 -1.500 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.308 -1.197 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.212 -1.627 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.484 -3.981 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.373 -3.573 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.599 -3.711 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.143 -2.268 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.794 -1.931 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.053 -0.609 -1.172 1.00 0.00 H new ATOM 1736 N MET A 110 -2.173 0.896 -5.703 1.00 0.00 N ATOM 1737 CA MET A 110 -2.032 1.533 -7.007 1.00 0.00 C ATOM 1738 C MET A 110 -2.037 3.053 -6.874 1.00 0.00 C ATOM 1739 O MET A 110 -1.379 3.754 -7.642 1.00 0.00 O ATOM 1740 CB MET A 110 -3.159 1.088 -7.941 1.00 0.00 C ATOM 1741 CG MET A 110 -2.922 -0.274 -8.573 1.00 0.00 C ATOM 1742 SD MET A 110 -2.006 -0.171 -10.123 1.00 0.00 S ATOM 1743 CE MET A 110 -0.468 -0.965 -9.660 1.00 0.00 C ATOM 0 H MET A 110 -2.971 0.265 -5.625 1.00 0.00 H new ATOM 0 HA MET A 110 -1.076 1.226 -7.431 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.094 1.062 -7.382 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.280 1.830 -8.730 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.374 -0.905 -7.873 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.882 -0.758 -8.754 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.352 -0.532 -10.233 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.287 -0.814 -8.596 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.532 -2.033 -9.869 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.783 3.554 -5.895 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.873 4.991 -5.663 1.00 0.00 C ATOM 1755 C GLU A 111 -1.548 5.543 -5.146 1.00 0.00 C ATOM 1756 O GLU A 111 -0.872 6.308 -5.833 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.992 5.300 -4.665 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.349 5.507 -5.317 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.560 6.935 -5.781 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -5.064 7.285 -6.872 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.223 7.703 -5.052 1.00 0.00 O ATOM 0 H GLU A 111 -3.333 2.987 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.101 5.473 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.064 4.482 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.728 6.195 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.445 4.834 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.133 5.239 -4.609 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.185 5.150 -3.929 1.00 0.00 N ATOM 1769 CA ALA A 112 0.059 5.603 -3.320 1.00 0.00 C ATOM 1770 C ALA A 112 1.238 5.409 -4.267 1.00 0.00 C ATOM 1771 O ALA A 112 2.221 6.146 -4.209 1.00 0.00 O ATOM 1772 CB ALA A 112 0.305 4.867 -2.011 1.00 0.00 C ATOM 0 H ALA A 112 -1.735 4.519 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.035 6.669 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.238 5.216 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.519 5.061 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.372 3.796 -2.203 1.00 0.00 H new ATOM 1778 N ASN A 113 1.132 4.411 -5.140 1.00 0.00 N ATOM 1779 CA ASN A 113 2.190 4.119 -6.099 1.00 0.00 C ATOM 1780 C ASN A 113 2.354 5.265 -7.094 1.00 0.00 C ATOM 1781 O ASN A 113 3.472 5.669 -7.412 1.00 0.00 O ATOM 1782 CB ASN A 113 1.885 2.820 -6.847 1.00 0.00 C ATOM 1783 CG ASN A 113 2.597 2.741 -8.184 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.824 2.650 -8.242 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.829 2.776 -9.266 1.00 0.00 N ATOM 0 H ASN A 113 0.324 3.792 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 113 3.123 4.003 -5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.181 1.971 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.810 2.739 -7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.251 2.727 -10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.816 2.852 -9.170 1.00 0.00 H new ATOM 1792 N SER A 114 1.231 5.784 -7.580 1.00 0.00 N ATOM 1793 CA SER A 114 1.250 6.881 -8.541 1.00 0.00 C ATOM 1794 C SER A 114 0.650 8.145 -7.933 1.00 0.00 C ATOM 1795 O SER A 114 -0.121 8.855 -8.581 1.00 0.00 O ATOM 1796 CB SER A 114 0.479 6.494 -9.804 1.00 0.00 C ATOM 1797 OG SER A 114 1.075 5.377 -10.443 1.00 0.00 O ATOM 0 H SER A 114 0.297 5.463 -7.324 1.00 0.00 H new ATOM 0 HA SER A 114 2.288 7.082 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.554 6.261 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.453 7.339 -10.492 1.00 0.00 H new ATOM 0 HG SER A 114 0.563 5.148 -11.247 1.00 0.00 H new ATOM 1803 N THR A 115 1.008 8.422 -6.683 1.00 0.00 N ATOM 1804 CA THR A 115 0.506 9.599 -5.986 1.00 0.00 C ATOM 1805 C THR A 115 1.435 10.001 -4.847 1.00 0.00 C ATOM 1806 O THR A 115 1.473 9.368 -3.792 1.00 0.00 O ATOM 1807 CB THR A 115 -0.907 9.356 -5.420 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.865 9.340 -6.484 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.278 10.433 -4.413 1.00 0.00 C ATOM 0 H THR A 115 1.645 7.846 -6.132 1.00 0.00 H new ATOM 0 HA THR A 115 0.463 10.406 -6.718 1.00 0.00 H new ATOM 0 HB THR A 115 -0.911 8.391 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.399 9.272 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.279 10.241 -4.027 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.564 10.423 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.258 11.408 -4.899 1.00 0.00 H new ATOM 1817 N PRO A 116 2.202 11.081 -5.061 1.00 0.00 N ATOM 1818 CA PRO A 116 3.145 11.593 -4.062 1.00 0.00 C ATOM 1819 C PRO A 116 2.437 12.213 -2.862 1.00 0.00 C ATOM 1820 O PRO A 116 1.211 12.319 -2.839 1.00 0.00 O ATOM 1821 CB PRO A 116 3.930 12.659 -4.830 1.00 0.00 C ATOM 1822 CG PRO A 116 3.010 13.098 -5.917 1.00 0.00 C ATOM 1823 CD PRO A 116 2.208 11.884 -6.295 1.00 0.00 C ATOM 0 HA PRO A 116 3.769 10.802 -3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.204 13.492 -4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.857 12.253 -5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.360 13.905 -5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.569 13.478 -6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.198 12.151 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.664 11.343 -7.124 1.00 0.00 H new