USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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: B 57 SER OG : rot 180:sc= 0.299! USER MOD Set 1.2: B 58 THR OG1 : rot 180:sc= 0.0266 USER MOD Set 2.1: B 48 ASN : amide:sc= -5.01! C(o=-8.8!,f=-19!) USER MOD Set 2.2: B 49 ASN : amide:sc= -3.83! C(o=-8.8!,f=-7.9!) USER MOD Single : A 1 LYS N :NH3+ 155:sc= -5.13! (180deg=-7.3!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.42! X(o=-1.4!,f=-1.4) USER MOD Single : B 21 LYS NZ :NH3+ 150:sc= -0.227 (180deg=-1.4!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= -11! C(o=-11!,f=-14!) USER MOD Single : B 30 LYS NZ :NH3+ 137:sc= -0.375 (180deg=-1.46!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 153:sc= -1.09 (180deg=-2.4!) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ -157:sc= -0.04 (180deg=-0.328) USER MOD Single : B 56 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot 29:sc= 0.571 USER MOD Single : B 61 ASN : amide:sc= -4.27! C(o=-4.3!,f=-10!) USER MOD Single : B 63 THR OG1 : rot -38:sc= 0.192 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 47:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.081 10.486 -4.876 1.00 1.61 N ATOM 2 CA LYS A 1 -21.419 9.549 -5.979 1.00 0.97 C ATOM 3 C LYS A 1 -20.953 10.143 -7.310 1.00 0.57 C ATOM 4 O LYS A 1 -21.746 10.576 -8.122 1.00 1.10 O ATOM 5 CB LYS A 1 -22.932 9.327 -6.010 1.00 1.90 C ATOM 6 CG LYS A 1 -23.640 10.630 -5.618 1.00 1.99 C ATOM 7 CD LYS A 1 -25.159 10.491 -5.819 1.00 2.41 C ATOM 8 CE LYS A 1 -25.533 10.838 -7.265 1.00 3.14 C ATOM 9 NZ LYS A 1 -27.012 10.742 -7.430 1.00 3.88 N ATOM 0 H1 LYS A 1 -21.727 10.329 -4.076 1.00 1.61 H new ATOM 0 H2 LYS A 1 -20.102 10.320 -4.568 1.00 1.61 H new ATOM 0 H3 LYS A 1 -21.177 11.466 -5.211 1.00 1.61 H new ATOM 0 HA LYS A 1 -20.919 8.594 -5.817 1.00 0.97 H new ATOM 0 HB2 LYS A 1 -23.246 9.014 -7.006 1.00 1.90 H new ATOM 0 HB3 LYS A 1 -23.209 8.528 -5.323 1.00 1.90 H new ATOM 0 HG2 LYS A 1 -23.424 10.871 -4.577 1.00 1.99 H new ATOM 0 HG3 LYS A 1 -23.260 11.455 -6.221 1.00 1.99 H new ATOM 0 HD2 LYS A 1 -25.473 9.473 -5.588 1.00 2.41 H new ATOM 0 HD3 LYS A 1 -25.687 11.151 -5.130 1.00 2.41 H new ATOM 0 HE2 LYS A 1 -25.193 11.845 -7.509 1.00 3.14 H new ATOM 0 HE3 LYS A 1 -25.034 10.157 -7.955 1.00 3.14 H new ATOM 0 HZ1 LYS A 1 -27.268 10.977 -8.410 1.00 3.88 H new ATOM 0 HZ2 LYS A 1 -27.323 9.774 -7.214 1.00 3.88 H new ATOM 0 HZ3 LYS A 1 -27.478 11.408 -6.781 1.00 3.88 H new ATOM 25 N VAL A 2 -19.671 10.156 -7.535 1.00 0.65 N ATOM 26 CA VAL A 2 -19.121 10.706 -8.809 1.00 0.45 C ATOM 27 C VAL A 2 -18.025 9.766 -9.294 1.00 0.47 C ATOM 28 O VAL A 2 -17.817 9.579 -10.478 1.00 0.88 O ATOM 29 CB VAL A 2 -18.526 12.091 -8.544 1.00 0.73 C ATOM 30 CG1 VAL A 2 -17.837 12.610 -9.805 1.00 1.03 C ATOM 31 CG2 VAL A 2 -19.641 13.059 -8.141 1.00 1.00 C ATOM 0 H VAL A 2 -18.969 9.805 -6.883 1.00 0.65 H new ATOM 0 HA VAL A 2 -19.906 10.792 -9.560 1.00 0.45 H new ATOM 0 HB VAL A 2 -17.796 12.017 -7.738 1.00 0.73 H new ATOM 0 HG11 VAL A 2 -17.416 13.596 -9.610 1.00 1.03 H new ATOM 0 HG12 VAL A 2 -17.039 11.925 -10.092 1.00 1.03 H new ATOM 0 HG13 VAL A 2 -18.564 12.680 -10.614 1.00 1.03 H new ATOM 0 HG21 VAL A 2 -19.216 14.045 -7.952 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -20.373 13.127 -8.946 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -20.129 12.695 -7.237 1.00 1.00 H new ATOM 41 N GLY A 3 -17.333 9.157 -8.372 1.00 0.41 N ATOM 42 CA GLY A 3 -16.244 8.205 -8.740 1.00 0.54 C ATOM 43 C GLY A 3 -16.761 6.781 -8.579 1.00 0.41 C ATOM 44 O GLY A 3 -16.568 5.939 -9.432 1.00 0.45 O ATOM 0 H GLY A 3 -17.476 9.278 -7.369 1.00 0.41 H new ATOM 0 HA2 GLY A 3 -15.924 8.376 -9.768 1.00 0.54 H new ATOM 0 HA3 GLY A 3 -15.373 8.364 -8.105 1.00 0.54 H new ATOM 48 N PHE A 4 -17.427 6.507 -7.491 1.00 0.38 N ATOM 49 CA PHE A 4 -17.967 5.138 -7.269 1.00 0.44 C ATOM 50 C PHE A 4 -18.670 4.658 -8.541 1.00 0.47 C ATOM 51 O PHE A 4 -18.567 3.508 -8.923 1.00 0.68 O ATOM 52 CB PHE A 4 -18.964 5.166 -6.109 1.00 0.57 C ATOM 53 CG PHE A 4 -18.224 5.386 -4.809 1.00 0.70 C ATOM 54 CD1 PHE A 4 -17.756 4.288 -4.076 1.00 1.56 C ATOM 55 CD2 PHE A 4 -18.005 6.687 -4.334 1.00 1.35 C ATOM 56 CE1 PHE A 4 -17.070 4.489 -2.872 1.00 1.74 C ATOM 57 CE2 PHE A 4 -17.317 6.888 -3.128 1.00 1.52 C ATOM 58 CZ PHE A 4 -16.851 5.788 -2.398 1.00 1.26 C ATOM 0 H PHE A 4 -17.620 7.175 -6.745 1.00 0.38 H new ATOM 0 HA PHE A 4 -17.151 4.457 -7.027 1.00 0.44 H new ATOM 0 HB2 PHE A 4 -19.694 5.961 -6.263 1.00 0.57 H new ATOM 0 HB3 PHE A 4 -19.518 4.228 -6.070 1.00 0.57 H new ATOM 0 HD1 PHE A 4 -17.924 3.285 -4.440 1.00 1.56 H new ATOM 0 HD2 PHE A 4 -18.366 7.535 -4.897 1.00 1.35 H new ATOM 0 HE1 PHE A 4 -16.709 3.641 -2.308 1.00 1.74 H new ATOM 0 HE2 PHE A 4 -17.147 7.890 -2.763 1.00 1.52 H new ATOM 0 HZ PHE A 4 -16.322 5.942 -1.469 1.00 1.26 H new ATOM 68 N PHE A 5 -19.380 5.531 -9.207 1.00 0.45 N ATOM 69 CA PHE A 5 -20.081 5.124 -10.458 1.00 0.59 C ATOM 70 C PHE A 5 -19.084 5.168 -11.628 1.00 0.56 C ATOM 71 O PHE A 5 -19.033 4.270 -12.441 1.00 0.72 O ATOM 72 CB PHE A 5 -21.297 6.061 -10.693 1.00 0.72 C ATOM 73 CG PHE A 5 -20.988 7.146 -11.705 1.00 0.73 C ATOM 74 CD1 PHE A 5 -20.924 6.824 -13.064 1.00 1.48 C ATOM 75 CD2 PHE A 5 -20.773 8.463 -11.285 1.00 1.39 C ATOM 76 CE1 PHE A 5 -20.646 7.821 -14.008 1.00 1.65 C ATOM 77 CE2 PHE A 5 -20.494 9.461 -12.227 1.00 1.44 C ATOM 78 CZ PHE A 5 -20.431 9.139 -13.589 1.00 1.10 C ATOM 0 H PHE A 5 -19.504 6.507 -8.938 1.00 0.45 H new ATOM 0 HA PHE A 5 -20.459 4.105 -10.376 1.00 0.59 H new ATOM 0 HB2 PHE A 5 -22.147 5.473 -11.040 1.00 0.72 H new ATOM 0 HB3 PHE A 5 -21.590 6.519 -9.748 1.00 0.72 H new ATOM 0 HD1 PHE A 5 -21.089 5.806 -13.386 1.00 1.48 H new ATOM 0 HD2 PHE A 5 -20.822 8.710 -10.235 1.00 1.39 H new ATOM 0 HE1 PHE A 5 -20.598 7.573 -15.058 1.00 1.65 H new ATOM 0 HE2 PHE A 5 -20.328 10.478 -11.904 1.00 1.44 H new ATOM 0 HZ PHE A 5 -20.216 9.908 -14.316 1.00 1.10 H new ATOM 88 N LYS A 6 -18.288 6.203 -11.717 1.00 0.47 N ATOM 89 CA LYS A 6 -17.299 6.286 -12.835 1.00 0.55 C ATOM 90 C LYS A 6 -15.984 5.633 -12.396 1.00 0.47 C ATOM 91 O LYS A 6 -14.911 6.146 -12.645 1.00 0.56 O ATOM 92 CB LYS A 6 -17.050 7.758 -13.192 1.00 0.71 C ATOM 93 CG LYS A 6 -16.405 7.854 -14.581 1.00 1.24 C ATOM 94 CD LYS A 6 -16.290 9.325 -15.005 1.00 1.40 C ATOM 95 CE LYS A 6 -15.101 9.990 -14.303 1.00 1.81 C ATOM 96 NZ LYS A 6 -14.854 11.327 -14.913 1.00 2.26 N ATOM 0 H LYS A 6 -18.279 6.990 -11.068 1.00 0.47 H new ATOM 0 HA LYS A 6 -17.690 5.766 -13.709 1.00 0.55 H new ATOM 0 HB2 LYS A 6 -17.990 8.309 -13.179 1.00 0.71 H new ATOM 0 HB3 LYS A 6 -16.401 8.218 -12.447 1.00 0.71 H new ATOM 0 HG2 LYS A 6 -15.417 7.393 -14.565 1.00 1.24 H new ATOM 0 HG3 LYS A 6 -17.002 7.303 -15.307 1.00 1.24 H new ATOM 0 HD2 LYS A 6 -16.166 9.390 -16.086 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -17.210 9.855 -14.757 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -15.306 10.096 -13.238 1.00 1.81 H new ATOM 0 HE3 LYS A 6 -14.213 9.365 -14.396 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 -14.048 11.781 -14.439 1.00 2.26 H new ATOM 0 HZ2 LYS A 6 -14.642 11.213 -15.925 1.00 2.26 H new ATOM 0 HZ3 LYS A 6 -15.700 11.921 -14.802 1.00 2.26 H new ATOM 110 N ARG A 7 -16.055 4.505 -11.735 1.00 0.52 N ATOM 111 CA ARG A 7 -14.800 3.831 -11.278 1.00 0.56 C ATOM 112 C ARG A 7 -15.003 2.323 -11.187 1.00 0.59 C ATOM 113 O ARG A 7 -14.061 1.562 -11.291 1.00 0.71 O ATOM 114 CB ARG A 7 -14.404 4.372 -9.902 1.00 0.76 C ATOM 115 CG ARG A 7 -13.049 3.788 -9.485 1.00 1.21 C ATOM 116 CD ARG A 7 -12.453 4.634 -8.358 1.00 1.68 C ATOM 117 NE ARG A 7 -11.080 4.155 -8.043 1.00 2.21 N ATOM 118 CZ ARG A 7 -10.261 4.922 -7.376 1.00 2.78 C ATOM 119 NH1 ARG A 7 -10.644 6.110 -6.996 1.00 3.15 N ATOM 120 NH2 ARG A 7 -9.060 4.502 -7.091 1.00 3.45 N ATOM 0 H ARG A 7 -16.921 4.024 -11.493 1.00 0.52 H new ATOM 0 HA ARG A 7 -14.010 4.036 -12.001 1.00 0.56 H new ATOM 0 HB2 ARG A 7 -14.348 5.460 -9.931 1.00 0.76 H new ATOM 0 HB3 ARG A 7 -15.165 4.112 -9.166 1.00 0.76 H new ATOM 0 HG2 ARG A 7 -13.172 2.757 -9.154 1.00 1.21 H new ATOM 0 HG3 ARG A 7 -12.371 3.770 -10.338 1.00 1.21 H new ATOM 0 HD2 ARG A 7 -12.424 5.683 -8.654 1.00 1.68 H new ATOM 0 HD3 ARG A 7 -13.083 4.571 -7.471 1.00 1.68 H new ATOM 0 HE ARG A 7 -10.779 3.229 -8.348 1.00 2.21 H new ATOM 0 HH11 ARG A 7 -11.583 6.439 -7.220 1.00 3.15 H new ATOM 0 HH12 ARG A 7 -10.004 6.710 -6.475 1.00 3.15 H new ATOM 0 HH21 ARG A 7 -8.760 3.574 -7.389 1.00 3.45 H new ATOM 0 HH22 ARG A 7 -8.420 5.102 -6.570 1.00 3.45 H new ATOM 134 N ASN A 8 -16.216 1.882 -10.981 1.00 0.59 N ATOM 135 CA ASN A 8 -16.482 0.415 -10.868 1.00 0.68 C ATOM 136 C ASN A 8 -17.483 -0.025 -11.946 1.00 0.60 C ATOM 137 O ASN A 8 -17.631 -1.201 -12.217 1.00 0.62 O ATOM 138 CB ASN A 8 -17.046 0.130 -9.475 1.00 0.91 C ATOM 139 CG ASN A 8 -16.375 1.054 -8.455 1.00 1.63 C ATOM 140 OD1 ASN A 8 -15.183 0.970 -8.234 1.00 2.44 O ATOM 141 ND2 ASN A 8 -17.096 1.936 -7.823 1.00 1.47 N ATOM 0 H ASN A 8 -17.039 2.477 -10.885 1.00 0.59 H new ATOM 0 HA ASN A 8 -15.557 -0.143 -11.014 1.00 0.68 H new ATOM 0 HB2 ASN A 8 -18.125 0.286 -9.469 1.00 0.91 H new ATOM 0 HB3 ASN A 8 -16.873 -0.912 -9.207 1.00 0.91 H new ATOM 0 HD21 ASN A 8 -16.660 2.557 -7.142 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -18.096 2.005 -8.010 1.00 1.47 H new ATOM 148 N ARG A 9 -18.166 0.909 -12.566 1.00 0.66 N ATOM 149 CA ARG A 9 -19.155 0.559 -13.629 1.00 0.76 C ATOM 150 C ARG A 9 -18.644 0.841 -15.080 1.00 0.57 C ATOM 151 O ARG A 9 -19.292 0.403 -16.010 1.00 0.61 O ATOM 152 CB ARG A 9 -20.430 1.372 -13.385 1.00 1.15 C ATOM 153 CG ARG A 9 -21.432 0.566 -12.549 1.00 1.16 C ATOM 154 CD ARG A 9 -22.530 1.500 -12.059 1.00 1.56 C ATOM 155 NE ARG A 9 -22.028 2.259 -10.865 1.00 1.99 N ATOM 156 CZ ARG A 9 -21.725 1.655 -9.749 1.00 2.90 C ATOM 157 NH1 ARG A 9 -21.954 0.378 -9.608 1.00 3.37 N ATOM 158 NH2 ARG A 9 -21.218 2.336 -8.758 1.00 3.67 N ATOM 0 H ARG A 9 -18.078 1.907 -12.377 1.00 0.66 H new ATOM 0 HA ARG A 9 -19.333 -0.514 -13.565 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -20.183 2.301 -12.871 1.00 1.15 H new ATOM 0 HB3 ARG A 9 -20.881 1.646 -14.339 1.00 1.15 H new ATOM 0 HG2 ARG A 9 -21.861 -0.238 -13.147 1.00 1.16 H new ATOM 0 HG3 ARG A 9 -20.928 0.100 -11.702 1.00 1.16 H new ATOM 0 HD2 ARG A 9 -22.818 2.191 -12.851 1.00 1.56 H new ATOM 0 HD3 ARG A 9 -23.420 0.929 -11.795 1.00 1.56 H new ATOM 0 HE ARG A 9 -21.921 3.271 -10.928 1.00 1.99 H new ATOM 0 HH11 ARG A 9 -22.372 -0.153 -10.372 1.00 3.37 H new ATOM 0 HH12 ARG A 9 -21.715 -0.089 -8.733 1.00 3.37 H new ATOM 0 HH21 ARG A 9 -21.059 3.339 -8.857 1.00 3.67 H new ATOM 0 HH22 ARG A 9 -20.980 1.866 -7.885 1.00 3.67 H new ATOM 172 N PRO A 10 -17.536 1.550 -15.288 1.00 0.48 N ATOM 173 CA PRO A 10 -17.078 1.807 -16.667 1.00 0.50 C ATOM 174 C PRO A 10 -16.911 0.505 -17.488 1.00 0.48 C ATOM 175 O PRO A 10 -17.313 0.479 -18.636 1.00 0.62 O ATOM 176 CB PRO A 10 -15.746 2.578 -16.522 1.00 0.58 C ATOM 177 CG PRO A 10 -15.584 2.927 -15.017 1.00 0.57 C ATOM 178 CD PRO A 10 -16.675 2.155 -14.241 1.00 0.53 C ATOM 0 HA PRO A 10 -17.815 2.385 -17.224 1.00 0.50 H new ATOM 0 HB2 PRO A 10 -14.910 1.971 -16.869 1.00 0.58 H new ATOM 0 HB3 PRO A 10 -15.757 3.483 -17.129 1.00 0.58 H new ATOM 0 HG2 PRO A 10 -14.592 2.647 -14.663 1.00 0.57 H new ATOM 0 HG3 PRO A 10 -15.688 4.000 -14.859 1.00 0.57 H new ATOM 0 HD2 PRO A 10 -16.237 1.390 -13.600 1.00 0.53 H new ATOM 0 HD3 PRO A 10 -17.247 2.822 -13.596 1.00 0.53 H new ATOM 186 N PRO A 11 -16.325 -0.540 -16.924 1.00 0.44 N ATOM 187 CA PRO A 11 -16.133 -1.795 -17.682 1.00 0.58 C ATOM 188 C PRO A 11 -17.463 -2.316 -18.260 1.00 0.60 C ATOM 189 O PRO A 11 -17.467 -3.052 -19.228 1.00 0.91 O ATOM 190 CB PRO A 11 -15.515 -2.780 -16.666 1.00 0.66 C ATOM 191 CG PRO A 11 -15.076 -1.940 -15.435 1.00 0.57 C ATOM 192 CD PRO A 11 -15.805 -0.582 -15.534 1.00 0.41 C ATOM 0 HA PRO A 11 -15.487 -1.656 -18.549 1.00 0.58 H new ATOM 0 HB2 PRO A 11 -16.239 -3.541 -16.376 1.00 0.66 H new ATOM 0 HB3 PRO A 11 -14.663 -3.301 -17.102 1.00 0.66 H new ATOM 0 HG2 PRO A 11 -15.335 -2.450 -14.507 1.00 0.57 H new ATOM 0 HG3 PRO A 11 -13.995 -1.798 -15.430 1.00 0.57 H new ATOM 0 HD2 PRO A 11 -16.613 -0.511 -14.806 1.00 0.41 H new ATOM 0 HD3 PRO A 11 -15.126 0.248 -15.339 1.00 0.41 H new ATOM 200 N LEU A 12 -18.590 -1.935 -17.696 1.00 0.55 N ATOM 201 CA LEU A 12 -19.909 -2.406 -18.239 1.00 0.62 C ATOM 202 C LEU A 12 -20.580 -1.254 -18.980 1.00 0.57 C ATOM 203 O LEU A 12 -20.774 -1.300 -20.179 1.00 0.87 O ATOM 204 CB LEU A 12 -20.822 -2.872 -17.091 1.00 0.80 C ATOM 205 CG LEU A 12 -20.003 -3.655 -16.039 1.00 0.87 C ATOM 206 CD1 LEU A 12 -19.545 -2.711 -14.929 1.00 1.13 C ATOM 207 CD2 LEU A 12 -20.868 -4.756 -15.415 1.00 1.05 C ATOM 0 H LEU A 12 -18.653 -1.320 -16.885 1.00 0.55 H new ATOM 0 HA LEU A 12 -19.740 -3.242 -18.917 1.00 0.62 H new ATOM 0 HB2 LEU A 12 -21.298 -2.010 -16.623 1.00 0.80 H new ATOM 0 HB3 LEU A 12 -21.619 -3.503 -17.484 1.00 0.80 H new ATOM 0 HG LEU A 12 -19.138 -4.098 -16.533 1.00 0.87 H new ATOM 0 HD11 LEU A 12 -18.969 -3.269 -14.191 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -18.923 -1.923 -15.355 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -20.416 -2.266 -14.448 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -20.283 -5.303 -14.675 1.00 1.05 H new ATOM 0 HD22 LEU A 12 -21.736 -4.307 -14.932 1.00 1.05 H new ATOM 0 HD23 LEU A 12 -21.201 -5.442 -16.194 1.00 1.05 H new ATOM 219 N GLU A 13 -20.936 -0.215 -18.275 1.00 0.65 N ATOM 220 CA GLU A 13 -21.593 0.937 -18.946 1.00 0.75 C ATOM 221 C GLU A 13 -21.475 2.187 -18.069 1.00 0.74 C ATOM 222 O GLU A 13 -21.198 2.111 -16.889 1.00 0.95 O ATOM 223 CB GLU A 13 -23.070 0.613 -19.197 1.00 1.03 C ATOM 224 CG GLU A 13 -23.649 -0.109 -17.978 1.00 1.27 C ATOM 225 CD GLU A 13 -25.149 -0.335 -18.184 1.00 1.82 C ATOM 226 OE1 GLU A 13 -25.570 -0.380 -19.328 1.00 2.42 O ATOM 227 OE2 GLU A 13 -25.850 -0.461 -17.193 1.00 2.40 O ATOM 0 H GLU A 13 -20.800 -0.116 -17.269 1.00 0.65 H new ATOM 0 HA GLU A 13 -21.100 1.126 -19.900 1.00 0.75 H new ATOM 0 HB2 GLU A 13 -23.627 1.530 -19.388 1.00 1.03 H new ATOM 0 HB3 GLU A 13 -23.170 -0.012 -20.085 1.00 1.03 H new ATOM 0 HG2 GLU A 13 -23.143 -1.064 -17.833 1.00 1.27 H new ATOM 0 HG3 GLU A 13 -23.480 0.482 -17.078 1.00 1.27 H new ATOM 234 N GLU A 14 -21.682 3.338 -18.649 1.00 0.68 N ATOM 235 CA GLU A 14 -21.581 4.603 -17.867 1.00 0.89 C ATOM 236 C GLU A 14 -22.789 4.736 -16.936 1.00 0.94 C ATOM 237 O GLU A 14 -23.038 5.785 -16.377 1.00 1.55 O ATOM 238 CB GLU A 14 -21.552 5.792 -18.828 1.00 1.17 C ATOM 239 CG GLU A 14 -22.781 5.744 -19.739 1.00 1.14 C ATOM 240 CD GLU A 14 -22.673 6.840 -20.801 1.00 1.64 C ATOM 241 OE1 GLU A 14 -21.891 6.669 -21.722 1.00 2.06 O ATOM 242 OE2 GLU A 14 -23.373 7.830 -20.676 1.00 2.31 O ATOM 0 H GLU A 14 -21.918 3.457 -19.634 1.00 0.68 H new ATOM 0 HA GLU A 14 -20.667 4.586 -17.273 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -21.539 6.726 -18.267 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -20.641 5.767 -19.427 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -22.855 4.767 -20.216 1.00 1.14 H new ATOM 0 HG3 GLU A 14 -23.688 5.881 -19.151 1.00 1.14 H new ATOM 249 N ASP A 15 -23.542 3.684 -16.762 1.00 1.07 N ATOM 250 CA ASP A 15 -24.724 3.755 -15.870 1.00 1.20 C ATOM 251 C ASP A 15 -24.310 4.363 -14.525 1.00 1.34 C ATOM 252 O ASP A 15 -23.205 4.163 -14.059 1.00 2.23 O ATOM 253 CB ASP A 15 -25.269 2.341 -15.668 1.00 1.49 C ATOM 254 CG ASP A 15 -24.291 1.520 -14.825 1.00 1.87 C ATOM 255 OD1 ASP A 15 -23.103 1.618 -15.073 1.00 2.03 O ATOM 256 OD2 ASP A 15 -24.750 0.807 -13.947 1.00 2.50 O ATOM 0 H ASP A 15 -23.385 2.778 -17.203 1.00 1.07 H new ATOM 0 HA ASP A 15 -25.497 4.382 -16.314 1.00 1.20 H new ATOM 0 HB2 ASP A 15 -26.240 2.383 -15.175 1.00 1.49 H new ATOM 0 HB3 ASP A 15 -25.422 1.860 -16.634 1.00 1.49 H new ATOM 261 N ASP A 16 -25.182 5.107 -13.899 1.00 1.38 N ATOM 262 CA ASP A 16 -24.838 5.728 -12.597 1.00 1.96 C ATOM 263 C ASP A 16 -25.024 4.701 -11.480 1.00 2.73 C ATOM 264 O ASP A 16 -24.193 3.843 -11.261 1.00 3.35 O ATOM 265 CB ASP A 16 -25.771 6.922 -12.364 1.00 1.75 C ATOM 266 CG ASP A 16 -25.253 8.144 -13.128 1.00 2.35 C ATOM 267 OD1 ASP A 16 -24.068 8.420 -13.031 1.00 2.63 O ATOM 268 OD2 ASP A 16 -26.050 8.783 -13.795 1.00 3.01 O ATOM 0 H ASP A 16 -26.122 5.310 -14.239 1.00 1.38 H new ATOM 0 HA ASP A 16 -23.801 6.064 -12.602 1.00 1.96 H new ATOM 0 HB2 ASP A 16 -26.780 6.676 -12.695 1.00 1.75 H new ATOM 0 HB3 ASP A 16 -25.830 7.146 -11.299 1.00 1.75 H new ATOM 273 N GLU A 17 -26.110 4.795 -10.769 1.00 2.99 N ATOM 274 CA GLU A 17 -26.371 3.841 -9.653 1.00 3.97 C ATOM 275 C GLU A 17 -27.878 3.622 -9.514 1.00 4.44 C ATOM 276 O GLU A 17 -28.447 2.740 -10.128 1.00 4.39 O ATOM 277 CB GLU A 17 -25.821 4.433 -8.355 1.00 4.23 C ATOM 278 CG GLU A 17 -24.295 4.325 -8.347 1.00 4.26 C ATOM 279 CD GLU A 17 -23.756 4.802 -6.997 1.00 5.23 C ATOM 280 OE1 GLU A 17 -24.330 4.427 -5.986 1.00 5.91 O ATOM 281 OE2 GLU A 17 -22.781 5.534 -6.995 1.00 5.57 O ATOM 0 H GLU A 17 -26.836 5.497 -10.913 1.00 2.99 H new ATOM 0 HA GLU A 17 -25.885 2.888 -9.860 1.00 3.97 H new ATOM 0 HB2 GLU A 17 -26.122 5.477 -8.263 1.00 4.23 H new ATOM 0 HB3 GLU A 17 -26.237 3.905 -7.497 1.00 4.23 H new ATOM 0 HG2 GLU A 17 -23.992 3.294 -8.528 1.00 4.26 H new ATOM 0 HG3 GLU A 17 -23.873 4.927 -9.152 1.00 4.26 H new ATOM 288 N GLU A 18 -28.531 4.419 -8.712 1.00 5.24 N ATOM 289 CA GLU A 18 -30.002 4.256 -8.535 1.00 5.97 C ATOM 290 C GLU A 18 -30.679 4.208 -9.906 1.00 5.91 C ATOM 291 O GLU A 18 -31.275 3.219 -10.281 1.00 6.62 O ATOM 292 CB GLU A 18 -30.554 5.438 -7.735 1.00 6.80 C ATOM 293 CG GLU A 18 -29.841 5.518 -6.383 1.00 7.66 C ATOM 294 CD GLU A 18 -30.254 6.803 -5.662 1.00 8.51 C ATOM 295 OE1 GLU A 18 -31.252 6.772 -4.963 1.00 8.98 O ATOM 296 OE2 GLU A 18 -29.563 7.796 -5.822 1.00 8.87 O ATOM 0 H GLU A 18 -28.110 5.175 -8.172 1.00 5.24 H new ATOM 0 HA GLU A 18 -30.202 3.329 -7.998 1.00 5.97 H new ATOM 0 HB2 GLU A 18 -30.409 6.365 -8.290 1.00 6.80 H new ATOM 0 HB3 GLU A 18 -31.627 5.320 -7.586 1.00 6.80 H new ATOM 0 HG2 GLU A 18 -30.094 4.650 -5.775 1.00 7.66 H new ATOM 0 HG3 GLU A 18 -28.761 5.501 -6.528 1.00 7.66 H new ATOM 303 N GLY A 19 -30.593 5.273 -10.656 1.00 5.28 N ATOM 304 CA GLY A 19 -31.231 5.290 -12.004 1.00 5.61 C ATOM 305 C GLY A 19 -30.331 4.565 -13.005 1.00 5.58 C ATOM 306 O GLY A 19 -30.634 4.482 -14.179 1.00 6.33 O ATOM 0 H GLY A 19 -30.109 6.132 -10.394 1.00 5.28 H new ATOM 0 HA2 GLY A 19 -32.208 4.808 -11.962 1.00 5.61 H new ATOM 0 HA3 GLY A 19 -31.397 6.318 -12.326 1.00 5.61 H new ATOM 310 N GLU A 20 -29.225 4.038 -12.551 1.00 4.99 N ATOM 311 CA GLU A 20 -28.305 3.317 -13.477 1.00 5.43 C ATOM 312 C GLU A 20 -28.084 4.158 -14.738 1.00 5.84 C ATOM 313 O GLU A 20 -28.365 3.659 -15.816 1.00 6.24 O ATOM 314 CB GLU A 20 -28.922 1.968 -13.858 1.00 5.87 C ATOM 315 CG GLU A 20 -28.765 0.986 -12.695 1.00 6.13 C ATOM 316 CD GLU A 20 -29.312 -0.384 -13.104 1.00 6.76 C ATOM 317 OE1 GLU A 20 -30.423 -0.431 -13.605 1.00 7.07 O ATOM 318 OE2 GLU A 20 -28.610 -1.362 -12.907 1.00 7.17 O ATOM 319 OXT GLU A 20 -27.638 5.285 -14.603 1.00 6.10 O ATOM 0 H GLU A 20 -28.919 4.076 -11.579 1.00 4.99 H new ATOM 0 HA GLU A 20 -27.347 3.151 -12.984 1.00 5.43 H new ATOM 0 HB2 GLU A 20 -29.977 2.095 -14.101 1.00 5.87 H new ATOM 0 HB3 GLU A 20 -28.435 1.573 -14.750 1.00 5.87 H new ATOM 0 HG2 GLU A 20 -27.715 0.901 -12.416 1.00 6.13 H new ATOM 0 HG3 GLU A 20 -29.298 1.355 -11.819 1.00 6.13 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -17.906 19.931 -2.407 1.00 0.00 N ATOM 328 CA LYS B 21 -17.857 18.700 -3.245 1.00 0.00 C ATOM 329 C LYS B 21 -16.552 17.948 -2.966 1.00 0.00 C ATOM 330 O LYS B 21 -15.803 17.631 -3.867 1.00 0.00 O ATOM 331 CB LYS B 21 -17.928 19.087 -4.727 1.00 0.00 C ATOM 332 CG LYS B 21 -18.945 20.219 -4.913 1.00 0.00 C ATOM 333 CD LYS B 21 -19.112 20.545 -6.411 1.00 0.00 C ATOM 334 CE LYS B 21 -20.144 19.607 -7.048 1.00 0.00 C ATOM 335 NZ LYS B 21 -21.444 19.730 -6.329 1.00 0.00 N ATOM 0 HA LYS B 21 -18.703 18.057 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -16.946 19.405 -5.078 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -18.216 18.223 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -19.905 19.928 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -18.614 21.107 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -19.429 21.581 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -18.154 20.443 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -20.275 19.856 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -19.789 18.577 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -22.225 19.540 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -21.475 19.044 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -21.540 20.693 -5.947 1.00 0.00 H new ATOM 351 N LEU B 22 -16.276 17.666 -1.721 1.00 0.00 N ATOM 352 CA LEU B 22 -15.019 16.940 -1.371 1.00 0.00 C ATOM 353 C LEU B 22 -15.239 15.431 -1.524 1.00 0.00 C ATOM 354 O LEU B 22 -14.304 14.661 -1.621 1.00 0.00 O ATOM 355 CB LEU B 22 -14.631 17.259 0.082 1.00 0.00 C ATOM 356 CG LEU B 22 -14.018 18.668 0.184 1.00 0.00 C ATOM 357 CD1 LEU B 22 -12.623 18.709 -0.472 1.00 0.00 C ATOM 358 CD2 LEU B 22 -14.940 19.685 -0.499 1.00 0.00 C ATOM 0 H LEU B 22 -16.869 17.908 -0.927 1.00 0.00 H new ATOM 0 HA LEU B 22 -14.218 17.258 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -15.511 17.193 0.722 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -13.917 16.519 0.444 1.00 0.00 H new ATOM 0 HG LEU B 22 -13.911 18.921 1.239 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -12.211 19.714 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.963 18.002 0.032 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -12.708 18.439 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -14.502 20.680 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -15.060 19.419 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -15.914 19.679 -0.010 1.00 0.00 H new ATOM 370 N LEU B 23 -16.470 15.009 -1.532 1.00 0.00 N ATOM 371 CA LEU B 23 -16.771 13.553 -1.663 1.00 0.00 C ATOM 372 C LEU B 23 -15.922 12.940 -2.789 1.00 0.00 C ATOM 373 O LEU B 23 -15.757 11.745 -2.877 1.00 0.00 O ATOM 374 CB LEU B 23 -18.294 13.376 -1.916 1.00 0.00 C ATOM 375 CG LEU B 23 -18.650 13.332 -3.436 1.00 0.00 C ATOM 376 CD1 LEU B 23 -18.801 11.880 -3.901 1.00 0.00 C ATOM 377 CD2 LEU B 23 -19.982 14.057 -3.686 1.00 0.00 C ATOM 0 H LEU B 23 -17.289 15.612 -1.453 1.00 0.00 H new ATOM 0 HA LEU B 23 -16.513 13.026 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -18.633 12.455 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -18.835 14.196 -1.444 1.00 0.00 H new ATOM 0 HG LEU B 23 -17.847 13.820 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -19.049 11.862 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -17.865 11.347 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -19.597 11.397 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -20.222 14.021 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -20.774 13.569 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -19.896 15.096 -3.368 1.00 0.00 H new ATOM 389 N ILE B 24 -15.381 13.766 -3.640 1.00 0.00 N ATOM 390 CA ILE B 24 -14.535 13.280 -4.769 1.00 0.00 C ATOM 391 C ILE B 24 -13.081 13.359 -4.345 1.00 0.00 C ATOM 392 O ILE B 24 -12.311 12.435 -4.516 1.00 0.00 O ATOM 393 CB ILE B 24 -14.778 14.149 -6.013 1.00 0.00 C ATOM 394 CG1 ILE B 24 -14.219 15.565 -5.783 1.00 0.00 C ATOM 395 CG2 ILE B 24 -16.287 14.220 -6.297 1.00 0.00 C ATOM 396 CD1 ILE B 24 -14.769 16.530 -6.840 1.00 0.00 C ATOM 0 H ILE B 24 -15.491 14.779 -3.601 1.00 0.00 H new ATOM 0 HA ILE B 24 -14.790 12.250 -5.017 1.00 0.00 H new ATOM 0 HB ILE B 24 -14.269 13.706 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -14.490 15.913 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -13.130 15.546 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -16.463 14.836 -7.179 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -16.672 13.216 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -16.798 14.659 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -14.366 17.528 -6.666 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -14.476 16.188 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -15.857 16.561 -6.774 1.00 0.00 H new ATOM 408 N THR B 25 -12.717 14.460 -3.771 1.00 0.00 N ATOM 409 CA THR B 25 -11.328 14.635 -3.298 1.00 0.00 C ATOM 410 C THR B 25 -11.040 13.525 -2.289 1.00 0.00 C ATOM 411 O THR B 25 -9.968 12.955 -2.262 1.00 0.00 O ATOM 412 CB THR B 25 -11.199 16.020 -2.647 1.00 0.00 C ATOM 413 OG1 THR B 25 -11.002 16.996 -3.660 1.00 0.00 O ATOM 414 CG2 THR B 25 -10.017 16.053 -1.676 1.00 0.00 C ATOM 0 H THR B 25 -13.331 15.258 -3.607 1.00 0.00 H new ATOM 0 HA THR B 25 -10.612 14.574 -4.118 1.00 0.00 H new ATOM 0 HB THR B 25 -12.113 16.233 -2.092 1.00 0.00 H new ATOM 0 HG1 THR B 25 -10.921 17.882 -3.249 1.00 0.00 H new ATOM 0 HG21 THR B 25 -9.943 17.043 -1.226 1.00 0.00 H new ATOM 0 HG22 THR B 25 -10.168 15.309 -0.894 1.00 0.00 H new ATOM 0 HG23 THR B 25 -9.096 15.831 -2.216 1.00 0.00 H new ATOM 422 N ILE B 26 -12.004 13.205 -1.467 1.00 0.00 N ATOM 423 CA ILE B 26 -11.798 12.123 -0.470 1.00 0.00 C ATOM 424 C ILE B 26 -12.033 10.782 -1.149 1.00 0.00 C ATOM 425 O ILE B 26 -11.401 9.798 -0.825 1.00 0.00 O ATOM 426 CB ILE B 26 -12.770 12.296 0.707 1.00 0.00 C ATOM 427 CG1 ILE B 26 -14.220 11.975 0.260 1.00 0.00 C ATOM 428 CG2 ILE B 26 -12.687 13.744 1.202 1.00 0.00 C ATOM 429 CD1 ILE B 26 -14.553 10.476 0.432 1.00 0.00 C ATOM 0 H ILE B 26 -12.923 13.647 -1.445 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.780 12.168 -0.084 1.00 0.00 H new ATOM 0 HB ILE B 26 -12.498 11.610 1.509 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -14.921 12.573 0.843 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -14.350 12.259 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -13.372 13.882 2.038 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -11.669 13.960 1.527 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.961 14.421 0.393 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -15.577 10.291 0.108 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -13.869 9.880 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -14.448 10.198 1.481 1.00 0.00 H new ATOM 441 N HIS B 27 -12.932 10.723 -2.095 1.00 0.00 N ATOM 442 CA HIS B 27 -13.165 9.409 -2.774 1.00 0.00 C ATOM 443 C HIS B 27 -12.066 9.180 -3.811 1.00 0.00 C ATOM 444 O HIS B 27 -11.901 8.090 -4.323 1.00 0.00 O ATOM 445 CB HIS B 27 -14.528 9.384 -3.468 1.00 0.00 C ATOM 446 CG HIS B 27 -14.695 8.071 -4.181 1.00 0.00 C ATOM 447 ND1 HIS B 27 -13.994 6.933 -3.812 1.00 0.00 N ATOM 448 CD2 HIS B 27 -15.478 7.702 -5.244 1.00 0.00 C ATOM 449 CE1 HIS B 27 -14.367 5.941 -4.642 1.00 0.00 C ATOM 450 NE2 HIS B 27 -15.271 6.356 -5.535 1.00 0.00 N ATOM 0 H HIS B 27 -13.503 11.503 -2.422 1.00 0.00 H new ATOM 0 HA HIS B 27 -13.147 8.620 -2.022 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -15.325 9.518 -2.736 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -14.604 10.209 -4.177 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -16.153 8.356 -5.775 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -13.983 4.933 -4.592 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -15.714 5.806 -6.271 1.00 0.00 H new ATOM 458 N ASP B 28 -11.315 10.202 -4.129 1.00 0.00 N ATOM 459 CA ASP B 28 -10.222 10.056 -5.143 1.00 0.00 C ATOM 460 C ASP B 28 -8.870 9.917 -4.450 1.00 0.00 C ATOM 461 O ASP B 28 -7.964 9.291 -4.956 1.00 0.00 O ATOM 462 CB ASP B 28 -10.190 11.298 -6.029 1.00 0.00 C ATOM 463 CG ASP B 28 -9.286 11.040 -7.236 1.00 0.00 C ATOM 464 OD1 ASP B 28 -9.217 9.898 -7.665 1.00 0.00 O ATOM 465 OD2 ASP B 28 -8.680 11.986 -7.711 1.00 0.00 O ATOM 0 H ASP B 28 -11.410 11.136 -3.730 1.00 0.00 H new ATOM 0 HA ASP B 28 -10.415 9.165 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -11.198 11.546 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.822 12.153 -5.462 1.00 0.00 H new ATOM 470 N ARG B 29 -8.717 10.503 -3.303 1.00 0.00 N ATOM 471 CA ARG B 29 -7.417 10.408 -2.591 1.00 0.00 C ATOM 472 C ARG B 29 -6.961 8.949 -2.551 1.00 0.00 C ATOM 473 O ARG B 29 -5.803 8.653 -2.325 1.00 0.00 O ATOM 474 CB ARG B 29 -7.583 10.965 -1.172 1.00 0.00 C ATOM 475 CG ARG B 29 -8.322 9.947 -0.272 1.00 0.00 C ATOM 476 CD ARG B 29 -7.353 8.874 0.299 1.00 0.00 C ATOM 477 NE ARG B 29 -7.440 8.835 1.800 1.00 0.00 N ATOM 478 CZ ARG B 29 -7.296 9.914 2.528 1.00 0.00 C ATOM 479 NH1 ARG B 29 -6.997 11.054 1.970 1.00 0.00 N ATOM 480 NH2 ARG B 29 -7.432 9.842 3.824 1.00 0.00 N ATOM 0 H ARG B 29 -9.436 11.045 -2.825 1.00 0.00 H new ATOM 0 HA ARG B 29 -6.659 10.991 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -6.605 11.191 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -8.140 11.901 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -8.807 10.473 0.550 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -9.109 9.458 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -7.601 7.895 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -6.331 9.098 -0.007 1.00 0.00 H new ATOM 0 HE ARG B 29 -7.616 7.944 2.264 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -6.873 11.110 0.959 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -6.887 11.890 2.544 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -7.649 8.948 4.265 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -7.321 10.679 4.396 1.00 0.00 H new ATOM 494 N LYS B 30 -7.860 8.039 -2.780 1.00 0.00 N ATOM 495 CA LYS B 30 -7.485 6.604 -2.772 1.00 0.00 C ATOM 496 C LYS B 30 -6.327 6.399 -3.748 1.00 0.00 C ATOM 497 O LYS B 30 -5.612 5.420 -3.684 1.00 0.00 O ATOM 498 CB LYS B 30 -8.684 5.755 -3.197 1.00 0.00 C ATOM 499 CG LYS B 30 -9.871 6.053 -2.273 1.00 0.00 C ATOM 500 CD LYS B 30 -11.121 5.296 -2.754 1.00 0.00 C ATOM 501 CE LYS B 30 -11.096 3.850 -2.241 1.00 0.00 C ATOM 502 NZ LYS B 30 -11.005 3.849 -0.753 1.00 0.00 N ATOM 0 H LYS B 30 -8.843 8.229 -2.973 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.182 6.302 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -8.950 5.973 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -8.429 4.696 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.629 5.759 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.069 7.125 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.020 5.800 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -11.162 5.302 -3.843 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.996 3.324 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -10.247 3.317 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.654 3.135 -0.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.031 3.624 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.266 4.788 -0.389 1.00 0.00 H new ATOM 516 N GLU B 31 -6.144 7.329 -4.652 1.00 0.00 N ATOM 517 CA GLU B 31 -5.034 7.222 -5.648 1.00 0.00 C ATOM 518 C GLU B 31 -3.758 6.743 -4.942 1.00 0.00 C ATOM 519 O GLU B 31 -2.952 6.028 -5.505 1.00 0.00 O ATOM 520 CB GLU B 31 -4.806 8.620 -6.277 1.00 0.00 C ATOM 521 CG GLU B 31 -5.426 8.722 -7.683 1.00 0.00 C ATOM 522 CD GLU B 31 -6.828 8.100 -7.717 1.00 0.00 C ATOM 523 OE1 GLU B 31 -7.363 7.822 -6.661 1.00 0.00 O ATOM 524 OE2 GLU B 31 -7.342 7.914 -8.809 1.00 0.00 O ATOM 0 H GLU B 31 -6.721 8.165 -4.743 1.00 0.00 H new ATOM 0 HA GLU B 31 -5.290 6.505 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -5.240 9.384 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -3.737 8.822 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -5.482 9.768 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -4.784 8.217 -8.404 1.00 0.00 H new ATOM 531 N PHE B 32 -3.579 7.134 -3.716 1.00 0.00 N ATOM 532 CA PHE B 32 -2.364 6.710 -2.958 1.00 0.00 C ATOM 533 C PHE B 32 -2.600 5.323 -2.355 1.00 0.00 C ATOM 534 O PHE B 32 -1.680 4.566 -2.113 1.00 0.00 O ATOM 535 CB PHE B 32 -2.087 7.725 -1.837 1.00 0.00 C ATOM 536 CG PHE B 32 -0.642 7.645 -1.411 1.00 0.00 C ATOM 537 CD1 PHE B 32 -0.226 6.579 -0.627 1.00 0.00 C ATOM 538 CD2 PHE B 32 0.272 8.634 -1.797 1.00 0.00 C ATOM 539 CE1 PHE B 32 1.109 6.484 -0.217 1.00 0.00 C ATOM 540 CE2 PHE B 32 1.610 8.543 -1.391 1.00 0.00 C ATOM 541 CZ PHE B 32 2.029 7.467 -0.600 1.00 0.00 C ATOM 0 H PHE B 32 -4.223 7.733 -3.199 1.00 0.00 H new ATOM 0 HA PHE B 32 -1.506 6.669 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -2.317 8.733 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.737 7.524 -0.985 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -0.935 5.819 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -0.054 9.464 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE B 32 1.429 5.653 0.394 1.00 0.00 H new ATOM 0 HE2 PHE B 32 2.318 9.303 -1.688 1.00 0.00 H new ATOM 0 HZ PHE B 32 3.060 7.395 -0.286 1.00 0.00 H new ATOM 551 N ALA B 33 -3.830 5.002 -2.102 1.00 0.00 N ATOM 552 CA ALA B 33 -4.167 3.684 -1.489 1.00 0.00 C ATOM 553 C ALA B 33 -3.347 2.542 -2.103 1.00 0.00 C ATOM 554 O ALA B 33 -2.778 1.744 -1.394 1.00 0.00 O ATOM 555 CB ALA B 33 -5.656 3.398 -1.699 1.00 0.00 C ATOM 0 H ALA B 33 -4.632 5.602 -2.295 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.929 3.738 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.908 2.436 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.247 4.183 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.874 3.371 -2.767 1.00 0.00 H new ATOM 561 N LYS B 34 -3.308 2.422 -3.404 1.00 0.00 N ATOM 562 CA LYS B 34 -2.547 1.285 -4.020 1.00 0.00 C ATOM 563 C LYS B 34 -1.060 1.613 -4.177 1.00 0.00 C ATOM 564 O LYS B 34 -0.224 0.744 -4.032 1.00 0.00 O ATOM 565 CB LYS B 34 -3.145 0.952 -5.388 1.00 0.00 C ATOM 566 CG LYS B 34 -2.621 -0.406 -5.860 1.00 0.00 C ATOM 567 CD LYS B 34 -3.255 -0.759 -7.208 1.00 0.00 C ATOM 568 CE LYS B 34 -2.828 -2.169 -7.621 1.00 0.00 C ATOM 569 NZ LYS B 34 -3.278 -2.438 -9.017 1.00 0.00 N ATOM 0 H LYS B 34 -3.763 3.052 -4.064 1.00 0.00 H new ATOM 0 HA LYS B 34 -2.630 0.427 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -4.233 0.932 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -2.882 1.726 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.535 -0.376 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -2.856 -1.174 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -4.341 -0.703 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -2.948 -0.038 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -1.745 -2.267 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -3.258 -2.904 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -2.987 -3.397 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -4.314 -2.361 -9.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -2.847 -1.744 -9.660 1.00 0.00 H new ATOM 583 N PHE B 35 -0.706 2.841 -4.469 1.00 0.00 N ATOM 584 CA PHE B 35 0.745 3.175 -4.623 1.00 0.00 C ATOM 585 C PHE B 35 1.500 2.575 -3.432 1.00 0.00 C ATOM 586 O PHE B 35 2.691 2.347 -3.467 1.00 0.00 O ATOM 587 CB PHE B 35 0.901 4.711 -4.639 1.00 0.00 C ATOM 588 CG PHE B 35 1.365 5.194 -5.991 1.00 0.00 C ATOM 589 CD1 PHE B 35 2.718 5.151 -6.295 1.00 0.00 C ATOM 590 CD2 PHE B 35 0.447 5.683 -6.927 1.00 0.00 C ATOM 591 CE1 PHE B 35 3.174 5.596 -7.540 1.00 0.00 C ATOM 592 CE2 PHE B 35 0.896 6.130 -8.176 1.00 0.00 C ATOM 593 CZ PHE B 35 2.263 6.086 -8.483 1.00 0.00 C ATOM 0 H PHE B 35 -1.351 3.619 -4.606 1.00 0.00 H new ATOM 0 HA PHE B 35 1.146 2.769 -5.552 1.00 0.00 H new ATOM 0 HB2 PHE B 35 -0.051 5.179 -4.389 1.00 0.00 H new ATOM 0 HB3 PHE B 35 1.616 5.015 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE B 35 3.421 4.773 -5.568 1.00 0.00 H new ATOM 0 HD2 PHE B 35 -0.605 5.716 -6.687 1.00 0.00 H new ATOM 0 HE1 PHE B 35 4.228 5.562 -7.774 1.00 0.00 H new ATOM 0 HE2 PHE B 35 0.190 6.508 -8.901 1.00 0.00 H new ATOM 0 HZ PHE B 35 2.613 6.430 -9.445 1.00 0.00 H new ATOM 603 N GLU B 36 0.782 2.315 -2.388 1.00 0.00 N ATOM 604 CA GLU B 36 1.381 1.721 -1.177 1.00 0.00 C ATOM 605 C GLU B 36 2.167 0.461 -1.553 1.00 0.00 C ATOM 606 O GLU B 36 3.036 0.020 -0.826 1.00 0.00 O ATOM 607 CB GLU B 36 0.242 1.380 -0.207 1.00 0.00 C ATOM 608 CG GLU B 36 -0.554 0.164 -0.704 1.00 0.00 C ATOM 609 CD GLU B 36 0.156 -1.139 -0.317 1.00 0.00 C ATOM 610 OE1 GLU B 36 1.187 -1.065 0.331 1.00 0.00 O ATOM 611 OE2 GLU B 36 -0.348 -2.191 -0.675 1.00 0.00 O ATOM 0 H GLU B 36 -0.220 2.494 -2.323 1.00 0.00 H new ATOM 0 HA GLU B 36 2.072 2.420 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU B 36 0.651 1.173 0.782 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -0.423 2.238 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -1.557 0.179 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -0.668 0.215 -1.787 1.00 0.00 H new ATOM 618 N GLU B 37 1.876 -0.121 -2.687 1.00 0.00 N ATOM 619 CA GLU B 37 2.615 -1.346 -3.110 1.00 0.00 C ATOM 620 C GLU B 37 3.874 -0.903 -3.833 1.00 0.00 C ATOM 621 O GLU B 37 4.963 -1.388 -3.595 1.00 0.00 O ATOM 622 CB GLU B 37 1.741 -2.173 -4.055 1.00 0.00 C ATOM 623 CG GLU B 37 0.549 -2.743 -3.282 1.00 0.00 C ATOM 624 CD GLU B 37 -0.198 -3.746 -4.162 1.00 0.00 C ATOM 625 OE1 GLU B 37 0.228 -3.953 -5.285 1.00 0.00 O ATOM 626 OE2 GLU B 37 -1.184 -4.291 -3.695 1.00 0.00 O ATOM 0 H GLU B 37 1.159 0.199 -3.338 1.00 0.00 H new ATOM 0 HA GLU B 37 2.868 -1.958 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU B 37 1.390 -1.552 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU B 37 2.325 -2.983 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU B 37 0.893 -3.230 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -0.121 -1.938 -2.981 1.00 0.00 H new ATOM 633 N GLU B 38 3.712 0.040 -4.709 1.00 0.00 N ATOM 634 CA GLU B 38 4.858 0.583 -5.477 1.00 0.00 C ATOM 635 C GLU B 38 6.017 0.867 -4.511 1.00 0.00 C ATOM 636 O GLU B 38 7.156 0.532 -4.774 1.00 0.00 O ATOM 637 CB GLU B 38 4.378 1.880 -6.160 1.00 0.00 C ATOM 638 CG GLU B 38 4.072 1.618 -7.641 1.00 0.00 C ATOM 639 CD GLU B 38 3.256 2.780 -8.211 1.00 0.00 C ATOM 640 OE1 GLU B 38 2.101 2.905 -7.839 1.00 0.00 O ATOM 641 OE2 GLU B 38 3.800 3.521 -9.012 1.00 0.00 O ATOM 0 H GLU B 38 2.813 0.467 -4.930 1.00 0.00 H new ATOM 0 HA GLU B 38 5.210 -0.122 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.486 2.255 -5.658 1.00 0.00 H new ATOM 0 HB3 GLU B 38 5.143 2.651 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU B 38 5.001 1.504 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU B 38 3.519 0.685 -7.749 1.00 0.00 H new ATOM 648 N ARG B 39 5.730 1.470 -3.391 1.00 0.00 N ATOM 649 CA ARG B 39 6.805 1.762 -2.403 1.00 0.00 C ATOM 650 C ARG B 39 7.603 0.489 -2.146 1.00 0.00 C ATOM 651 O ARG B 39 8.792 0.420 -2.382 1.00 0.00 O ATOM 652 CB ARG B 39 6.165 2.209 -1.090 1.00 0.00 C ATOM 653 CG ARG B 39 7.246 2.711 -0.131 1.00 0.00 C ATOM 654 CD ARG B 39 6.588 3.214 1.158 1.00 0.00 C ATOM 655 NE ARG B 39 7.549 4.085 1.912 1.00 0.00 N ATOM 656 CZ ARG B 39 8.736 3.657 2.256 1.00 0.00 C ATOM 657 NH1 ARG B 39 9.053 2.399 2.121 1.00 0.00 N ATOM 658 NH2 ARG B 39 9.591 4.485 2.793 1.00 0.00 N ATOM 0 H ARG B 39 4.796 1.774 -3.117 1.00 0.00 H new ATOM 0 HA ARG B 39 7.459 2.544 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG B 39 5.439 2.999 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG B 39 5.622 1.379 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG B 39 7.948 1.909 0.095 1.00 0.00 H new ATOM 0 HG3 ARG B 39 7.818 3.513 -0.598 1.00 0.00 H new ATOM 0 HD2 ARG B 39 5.684 3.775 0.921 1.00 0.00 H new ATOM 0 HD3 ARG B 39 6.286 2.369 1.777 1.00 0.00 H new ATOM 0 HE ARG B 39 7.270 5.034 2.162 1.00 0.00 H new ATOM 0 HH11 ARG B 39 8.373 1.739 1.744 1.00 0.00 H new ATOM 0 HH12 ARG B 39 9.981 2.075 2.392 1.00 0.00 H new ATOM 0 HH21 ARG B 39 9.332 5.460 2.942 1.00 0.00 H new ATOM 0 HH22 ARG B 39 10.518 4.157 3.063 1.00 0.00 H new ATOM 672 N ALA B 40 6.942 -0.516 -1.653 1.00 0.00 N ATOM 673 CA ALA B 40 7.632 -1.801 -1.360 1.00 0.00 C ATOM 674 C ALA B 40 8.380 -2.290 -2.603 1.00 0.00 C ATOM 675 O ALA B 40 9.407 -2.933 -2.504 1.00 0.00 O ATOM 676 CB ALA B 40 6.595 -2.845 -0.944 1.00 0.00 C ATOM 0 H ALA B 40 5.945 -0.504 -1.438 1.00 0.00 H new ATOM 0 HA ALA B 40 8.348 -1.649 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.095 -3.789 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.069 -2.501 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA B 40 5.880 -2.990 -1.754 1.00 0.00 H new ATOM 682 N ARG B 41 7.880 -2.001 -3.773 1.00 0.00 N ATOM 683 CA ARG B 41 8.576 -2.465 -5.008 1.00 0.00 C ATOM 684 C ARG B 41 9.839 -1.624 -5.229 1.00 0.00 C ATOM 685 O ARG B 41 10.875 -2.131 -5.611 1.00 0.00 O ATOM 686 CB ARG B 41 7.636 -2.328 -6.217 1.00 0.00 C ATOM 687 CG ARG B 41 8.082 -3.287 -7.336 1.00 0.00 C ATOM 688 CD ARG B 41 7.611 -4.732 -7.034 1.00 0.00 C ATOM 689 NE ARG B 41 8.743 -5.697 -7.231 1.00 0.00 N ATOM 690 CZ ARG B 41 9.501 -5.651 -8.296 1.00 0.00 C ATOM 691 NH1 ARG B 41 9.234 -4.815 -9.261 1.00 0.00 N ATOM 692 NH2 ARG B 41 10.516 -6.465 -8.404 1.00 0.00 N ATOM 0 H ARG B 41 7.025 -1.467 -3.928 1.00 0.00 H new ATOM 0 HA ARG B 41 8.857 -3.512 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.612 -2.553 -5.920 1.00 0.00 H new ATOM 0 HB3 ARG B 41 7.644 -1.301 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.672 -2.957 -8.290 1.00 0.00 H new ATOM 0 HG3 ARG B 41 9.168 -3.265 -7.431 1.00 0.00 H new ATOM 0 HD2 ARG B 41 7.243 -4.796 -6.010 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.780 -4.996 -7.688 1.00 0.00 H new ATOM 0 HE ARG B 41 8.925 -6.404 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG B 41 8.430 -4.192 -9.188 1.00 0.00 H new ATOM 0 HH12 ARG B 41 9.829 -4.784 -10.089 1.00 0.00 H new ATOM 0 HH21 ARG B 41 10.715 -7.133 -7.660 1.00 0.00 H new ATOM 0 HH22 ARG B 41 11.110 -6.433 -9.233 1.00 0.00 H new ATOM 706 N ALA B 42 9.762 -0.342 -4.991 1.00 0.00 N ATOM 707 CA ALA B 42 10.959 0.525 -5.186 1.00 0.00 C ATOM 708 C ALA B 42 11.559 0.268 -6.569 1.00 0.00 C ATOM 709 O ALA B 42 10.892 -0.200 -7.470 1.00 0.00 O ATOM 710 CB ALA B 42 12.002 0.205 -4.113 1.00 0.00 C ATOM 0 H ALA B 42 8.923 0.141 -4.670 1.00 0.00 H new ATOM 0 HA ALA B 42 10.663 1.571 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA B 42 12.877 0.839 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.577 0.389 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.296 -0.842 -4.192 1.00 0.00 H new ATOM 716 N LYS B 43 12.819 0.570 -6.743 1.00 0.00 N ATOM 717 CA LYS B 43 13.469 0.344 -8.063 1.00 0.00 C ATOM 718 C LYS B 43 14.958 0.704 -7.954 1.00 0.00 C ATOM 719 O LYS B 43 15.755 0.351 -8.801 1.00 0.00 O ATOM 720 CB LYS B 43 12.768 1.222 -9.135 1.00 0.00 C ATOM 721 CG LYS B 43 12.253 0.356 -10.302 1.00 0.00 C ATOM 722 CD LYS B 43 13.433 -0.199 -11.131 1.00 0.00 C ATOM 723 CE LYS B 43 13.826 0.781 -12.251 1.00 0.00 C ATOM 724 NZ LYS B 43 14.486 1.980 -11.662 1.00 0.00 N ATOM 0 H LYS B 43 13.426 0.964 -6.024 1.00 0.00 H new ATOM 0 HA LYS B 43 13.379 -0.702 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS B 43 11.936 1.762 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS B 43 13.466 1.970 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS B 43 11.655 -0.468 -9.914 1.00 0.00 H new ATOM 0 HG3 LYS B 43 11.600 0.950 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS B 43 14.289 -0.375 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS B 43 13.158 -1.161 -11.564 1.00 0.00 H new ATOM 0 HE2 LYS B 43 14.500 0.292 -12.955 1.00 0.00 H new ATOM 0 HE3 LYS B 43 12.941 1.080 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 15.134 2.398 -12.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 13.763 2.680 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 15.022 1.701 -10.816 1.00 0.00 H new ATOM 738 N TRP B 44 15.331 1.402 -6.911 1.00 0.00 N ATOM 739 CA TRP B 44 16.763 1.799 -6.719 1.00 0.00 C ATOM 740 C TRP B 44 17.274 1.220 -5.400 1.00 0.00 C ATOM 741 O TRP B 44 18.055 0.290 -5.381 1.00 0.00 O ATOM 742 CB TRP B 44 16.861 3.325 -6.678 1.00 0.00 C ATOM 743 CG TRP B 44 16.495 3.878 -8.018 1.00 0.00 C ATOM 744 CD1 TRP B 44 17.306 3.891 -9.102 1.00 0.00 C ATOM 745 CD2 TRP B 44 15.241 4.493 -8.437 1.00 0.00 C ATOM 746 NE1 TRP B 44 16.630 4.475 -10.158 1.00 0.00 N ATOM 747 CE2 TRP B 44 15.354 4.863 -9.799 1.00 0.00 C ATOM 748 CE3 TRP B 44 14.031 4.764 -7.775 1.00 0.00 C ATOM 749 CZ2 TRP B 44 14.303 5.478 -10.479 1.00 0.00 C ATOM 750 CZ3 TRP B 44 12.970 5.383 -8.456 1.00 0.00 C ATOM 751 CH2 TRP B 44 13.106 5.739 -9.806 1.00 0.00 C ATOM 0 H TRP B 44 14.699 1.718 -6.175 1.00 0.00 H new ATOM 0 HA TRP B 44 17.366 1.416 -7.543 1.00 0.00 H new ATOM 0 HB2 TRP B 44 16.195 3.724 -5.913 1.00 0.00 H new ATOM 0 HB3 TRP B 44 17.873 3.629 -6.410 1.00 0.00 H new ATOM 0 HD1 TRP B 44 18.315 3.508 -9.137 1.00 0.00 H new ATOM 0 HE1 TRP B 44 17.026 4.604 -11.089 1.00 0.00 H new ATOM 0 HE3 TRP B 44 13.916 4.494 -6.735 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 14.413 5.751 -11.518 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 12.045 5.586 -7.938 1.00 0.00 H new ATOM 0 HH2 TRP B 44 12.287 6.214 -10.325 1.00 0.00 H new ATOM 762 N ASP B 45 16.839 1.760 -4.294 1.00 0.00 N ATOM 763 CA ASP B 45 17.300 1.236 -2.978 1.00 0.00 C ATOM 764 C ASP B 45 16.492 -0.012 -2.615 1.00 0.00 C ATOM 765 O ASP B 45 15.349 0.071 -2.208 1.00 0.00 O ATOM 766 CB ASP B 45 17.096 2.308 -1.905 1.00 0.00 C ATOM 767 CG ASP B 45 17.444 1.731 -0.533 1.00 0.00 C ATOM 768 OD1 ASP B 45 18.624 1.633 -0.236 1.00 0.00 O ATOM 769 OD2 ASP B 45 16.526 1.395 0.197 1.00 0.00 O ATOM 0 H ASP B 45 16.185 2.541 -4.245 1.00 0.00 H new ATOM 0 HA ASP B 45 18.357 0.978 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP B 45 17.724 3.173 -2.117 1.00 0.00 H new ATOM 0 HB3 ASP B 45 16.062 2.654 -1.914 1.00 0.00 H new ATOM 774 N THR B 46 17.077 -1.172 -2.760 1.00 0.00 N ATOM 775 CA THR B 46 16.344 -2.425 -2.425 1.00 0.00 C ATOM 776 C THR B 46 16.242 -2.567 -0.905 1.00 0.00 C ATOM 777 O THR B 46 17.093 -3.157 -0.269 1.00 0.00 O ATOM 778 CB THR B 46 17.096 -3.628 -2.997 1.00 0.00 C ATOM 779 OG1 THR B 46 17.350 -3.412 -4.378 1.00 0.00 O ATOM 780 CG2 THR B 46 16.248 -4.889 -2.823 1.00 0.00 C ATOM 0 H THR B 46 18.031 -1.304 -3.096 1.00 0.00 H new ATOM 0 HA THR B 46 15.344 -2.383 -2.856 1.00 0.00 H new ATOM 0 HB THR B 46 18.041 -3.752 -2.469 1.00 0.00 H new ATOM 0 HG1 THR B 46 17.833 -4.181 -4.746 1.00 0.00 H new ATOM 0 HG21 THR B 46 16.783 -5.747 -3.230 1.00 0.00 H new ATOM 0 HG22 THR B 46 16.053 -5.053 -1.763 1.00 0.00 H new ATOM 0 HG23 THR B 46 15.302 -4.767 -3.351 1.00 0.00 H new ATOM 788 N ALA B 47 15.210 -2.028 -0.318 1.00 0.00 N ATOM 789 CA ALA B 47 15.056 -2.131 1.160 1.00 0.00 C ATOM 790 C ALA B 47 14.814 -3.590 1.552 1.00 0.00 C ATOM 791 O ALA B 47 15.667 -4.237 2.126 1.00 0.00 O ATOM 792 CB ALA B 47 13.867 -1.276 1.607 1.00 0.00 C ATOM 0 H ALA B 47 14.467 -1.521 -0.798 1.00 0.00 H new ATOM 0 HA ALA B 47 15.965 -1.775 1.645 1.00 0.00 H new ATOM 0 HB1 ALA B 47 13.752 -1.350 2.688 1.00 0.00 H new ATOM 0 HB2 ALA B 47 14.042 -0.236 1.331 1.00 0.00 H new ATOM 0 HB3 ALA B 47 12.959 -1.633 1.121 1.00 0.00 H new ATOM 798 N ASN B 48 13.657 -4.114 1.252 1.00 0.00 N ATOM 799 CA ASN B 48 13.367 -5.531 1.614 1.00 0.00 C ATOM 800 C ASN B 48 13.693 -5.751 3.094 1.00 0.00 C ATOM 801 O ASN B 48 13.086 -5.162 3.965 1.00 0.00 O ATOM 802 CB ASN B 48 14.225 -6.464 0.754 1.00 0.00 C ATOM 803 CG ASN B 48 13.861 -7.918 1.059 1.00 0.00 C ATOM 804 OD1 ASN B 48 14.439 -8.531 1.933 1.00 0.00 O ATOM 805 ND2 ASN B 48 12.918 -8.500 0.369 1.00 0.00 N ATOM 0 H ASN B 48 12.902 -3.624 0.773 1.00 0.00 H new ATOM 0 HA ASN B 48 12.313 -5.746 1.437 1.00 0.00 H new ATOM 0 HB2 ASN B 48 14.064 -6.252 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN B 48 15.282 -6.293 0.956 1.00 0.00 H new ATOM 0 HD21 ASN B 48 12.667 -9.469 0.564 1.00 0.00 H new ATOM 0 HD22 ASN B 48 12.432 -7.986 -0.365 1.00 0.00 H new ATOM 812 N ASN B 49 14.650 -6.593 3.387 1.00 0.00 N ATOM 813 CA ASN B 49 15.014 -6.844 4.811 1.00 0.00 C ATOM 814 C ASN B 49 16.433 -7.460 4.865 1.00 0.00 C ATOM 815 O ASN B 49 16.693 -8.401 4.141 1.00 0.00 O ATOM 816 CB ASN B 49 14.015 -7.835 5.415 1.00 0.00 C ATOM 817 CG ASN B 49 13.790 -8.991 4.439 1.00 0.00 C ATOM 818 OD1 ASN B 49 14.588 -9.905 4.367 1.00 0.00 O ATOM 819 ND2 ASN B 49 12.730 -8.989 3.680 1.00 0.00 N ATOM 0 H ASN B 49 15.194 -7.117 2.701 1.00 0.00 H new ATOM 0 HA ASN B 49 14.992 -5.909 5.371 1.00 0.00 H new ATOM 0 HB2 ASN B 49 14.392 -8.215 6.365 1.00 0.00 H new ATOM 0 HB3 ASN B 49 13.070 -7.333 5.625 1.00 0.00 H new ATOM 0 HD21 ASN B 49 12.570 -9.755 3.025 1.00 0.00 H new ATOM 0 HD22 ASN B 49 12.061 -8.222 3.741 1.00 0.00 H new ATOM 826 N PRO B 50 17.325 -6.946 5.704 1.00 0.00 N ATOM 827 CA PRO B 50 18.689 -7.507 5.789 1.00 0.00 C ATOM 828 C PRO B 50 18.623 -8.962 6.284 1.00 0.00 C ATOM 829 O PRO B 50 18.639 -9.894 5.505 1.00 0.00 O ATOM 830 CB PRO B 50 19.436 -6.599 6.795 1.00 0.00 C ATOM 831 CG PRO B 50 18.387 -5.631 7.411 1.00 0.00 C ATOM 832 CD PRO B 50 17.075 -5.801 6.612 1.00 0.00 C ATOM 0 HA PRO B 50 19.198 -7.529 4.826 1.00 0.00 H new ATOM 0 HB2 PRO B 50 19.911 -7.197 7.573 1.00 0.00 H new ATOM 0 HB3 PRO B 50 20.227 -6.041 6.295 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.227 -5.859 8.465 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.738 -4.600 7.358 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.232 -5.999 7.274 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.834 -4.898 6.051 1.00 0.00 H new ATOM 840 N LEU B 51 18.550 -9.160 7.574 1.00 0.00 N ATOM 841 CA LEU B 51 18.485 -10.547 8.122 1.00 0.00 C ATOM 842 C LEU B 51 19.549 -11.413 7.442 1.00 0.00 C ATOM 843 O LEU B 51 19.249 -12.237 6.601 1.00 0.00 O ATOM 844 CB LEU B 51 17.095 -11.137 7.860 1.00 0.00 C ATOM 845 CG LEU B 51 16.092 -10.563 8.866 1.00 0.00 C ATOM 846 CD1 LEU B 51 16.138 -9.031 8.827 1.00 0.00 C ATOM 847 CD2 LEU B 51 14.683 -11.043 8.506 1.00 0.00 C ATOM 0 H LEU B 51 18.533 -8.418 8.274 1.00 0.00 H new ATOM 0 HA LEU B 51 18.669 -10.524 9.196 1.00 0.00 H new ATOM 0 HB2 LEU B 51 16.777 -10.906 6.843 1.00 0.00 H new ATOM 0 HB3 LEU B 51 17.129 -12.223 7.945 1.00 0.00 H new ATOM 0 HG LEU B 51 16.349 -10.903 9.869 1.00 0.00 H new ATOM 0 HD11 LEU B 51 15.423 -8.627 9.544 1.00 0.00 H new ATOM 0 HD12 LEU B 51 17.141 -8.690 9.084 1.00 0.00 H new ATOM 0 HD13 LEU B 51 15.882 -8.685 7.826 1.00 0.00 H new ATOM 0 HD21 LEU B 51 13.967 -10.636 9.220 1.00 0.00 H new ATOM 0 HD22 LEU B 51 14.428 -10.703 7.502 1.00 0.00 H new ATOM 0 HD23 LEU B 51 14.650 -12.132 8.539 1.00 0.00 H new ATOM 859 N TYR B 52 20.793 -11.232 7.798 1.00 0.00 N ATOM 860 CA TYR B 52 21.877 -12.043 7.172 1.00 0.00 C ATOM 861 C TYR B 52 21.970 -13.401 7.869 1.00 0.00 C ATOM 862 O TYR B 52 22.779 -13.600 8.754 1.00 0.00 O ATOM 863 CB TYR B 52 23.209 -11.306 7.313 1.00 0.00 C ATOM 864 CG TYR B 52 23.122 -9.973 6.611 1.00 0.00 C ATOM 865 CD1 TYR B 52 23.455 -9.875 5.256 1.00 0.00 C ATOM 866 CD2 TYR B 52 22.705 -8.837 7.314 1.00 0.00 C ATOM 867 CE1 TYR B 52 23.372 -8.640 4.602 1.00 0.00 C ATOM 868 CE2 TYR B 52 22.621 -7.601 6.661 1.00 0.00 C ATOM 869 CZ TYR B 52 22.955 -7.503 5.304 1.00 0.00 C ATOM 870 OH TYR B 52 22.873 -6.285 4.661 1.00 0.00 O ATOM 0 H TYR B 52 21.105 -10.557 8.496 1.00 0.00 H new ATOM 0 HA TYR B 52 21.653 -12.193 6.116 1.00 0.00 H new ATOM 0 HB2 TYR B 52 23.446 -11.160 8.367 1.00 0.00 H new ATOM 0 HB3 TYR B 52 24.014 -11.903 6.885 1.00 0.00 H new ATOM 0 HD1 TYR B 52 23.776 -10.752 4.714 1.00 0.00 H new ATOM 0 HD2 TYR B 52 22.448 -8.914 8.360 1.00 0.00 H new ATOM 0 HE1 TYR B 52 23.630 -8.564 3.556 1.00 0.00 H new ATOM 0 HE2 TYR B 52 22.299 -6.724 7.203 1.00 0.00 H new ATOM 0 HH TYR B 52 22.566 -5.602 5.293 1.00 0.00 H new ATOM 880 N LYS B 53 21.154 -14.338 7.475 1.00 0.00 N ATOM 881 CA LYS B 53 21.199 -15.683 8.115 1.00 0.00 C ATOM 882 C LYS B 53 22.442 -16.432 7.630 1.00 0.00 C ATOM 883 O LYS B 53 23.046 -17.191 8.361 1.00 0.00 O ATOM 884 CB LYS B 53 19.946 -16.472 7.730 1.00 0.00 C ATOM 885 CG LYS B 53 18.741 -15.923 8.498 1.00 0.00 C ATOM 886 CD LYS B 53 17.472 -16.665 8.065 1.00 0.00 C ATOM 887 CE LYS B 53 16.367 -16.439 9.099 1.00 0.00 C ATOM 888 NZ LYS B 53 16.670 -17.227 10.327 1.00 0.00 N ATOM 0 H LYS B 53 20.458 -14.231 6.737 1.00 0.00 H new ATOM 0 HA LYS B 53 21.239 -15.572 9.199 1.00 0.00 H new ATOM 0 HB2 LYS B 53 19.772 -16.397 6.657 1.00 0.00 H new ATOM 0 HB3 LYS B 53 20.085 -17.529 7.957 1.00 0.00 H new ATOM 0 HG2 LYS B 53 18.896 -16.042 9.570 1.00 0.00 H new ATOM 0 HG3 LYS B 53 18.632 -14.855 8.308 1.00 0.00 H new ATOM 0 HD2 LYS B 53 17.147 -16.310 7.087 1.00 0.00 H new ATOM 0 HD3 LYS B 53 17.678 -17.731 7.965 1.00 0.00 H new ATOM 0 HE2 LYS B 53 16.293 -15.379 9.343 1.00 0.00 H new ATOM 0 HE3 LYS B 53 15.403 -16.740 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 15.791 -17.399 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 17.097 -18.137 10.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 17.335 -16.696 10.925 1.00 0.00 H new ATOM 902 N GLU B 54 22.829 -16.220 6.401 1.00 0.00 N ATOM 903 CA GLU B 54 24.033 -16.916 5.863 1.00 0.00 C ATOM 904 C GLU B 54 23.954 -18.412 6.205 1.00 0.00 C ATOM 905 O GLU B 54 23.333 -19.179 5.498 1.00 0.00 O ATOM 906 CB GLU B 54 25.296 -16.284 6.468 1.00 0.00 C ATOM 907 CG GLU B 54 26.536 -16.735 5.686 1.00 0.00 C ATOM 908 CD GLU B 54 26.800 -18.220 5.940 1.00 0.00 C ATOM 909 OE1 GLU B 54 27.252 -18.544 7.027 1.00 0.00 O ATOM 910 OE2 GLU B 54 26.548 -19.010 5.045 1.00 0.00 O ATOM 0 H GLU B 54 22.362 -15.594 5.745 1.00 0.00 H new ATOM 0 HA GLU B 54 24.074 -16.810 4.779 1.00 0.00 H new ATOM 0 HB2 GLU B 54 25.216 -15.197 6.443 1.00 0.00 H new ATOM 0 HB3 GLU B 54 25.391 -16.573 7.515 1.00 0.00 H new ATOM 0 HG2 GLU B 54 26.388 -16.560 4.620 1.00 0.00 H new ATOM 0 HG3 GLU B 54 27.402 -16.146 5.989 1.00 0.00 H new ATOM 917 N ALA B 55 24.572 -18.836 7.279 1.00 0.00 N ATOM 918 CA ALA B 55 24.520 -20.279 7.648 1.00 0.00 C ATOM 919 C ALA B 55 25.149 -20.472 9.030 1.00 0.00 C ATOM 920 O ALA B 55 24.618 -21.162 9.876 1.00 0.00 O ATOM 921 CB ALA B 55 25.301 -21.101 6.619 1.00 0.00 C ATOM 0 H ALA B 55 25.109 -18.245 7.914 1.00 0.00 H new ATOM 0 HA ALA B 55 23.482 -20.611 7.666 1.00 0.00 H new ATOM 0 HB1 ALA B 55 25.262 -22.156 6.891 1.00 0.00 H new ATOM 0 HB2 ALA B 55 24.859 -20.964 5.632 1.00 0.00 H new ATOM 0 HB3 ALA B 55 26.339 -20.769 6.601 1.00 0.00 H new ATOM 927 N THR B 56 26.284 -19.869 9.262 1.00 0.00 N ATOM 928 CA THR B 56 26.955 -20.016 10.583 1.00 0.00 C ATOM 929 C THR B 56 25.993 -19.605 11.699 1.00 0.00 C ATOM 930 O THR B 56 24.844 -19.294 11.460 1.00 0.00 O ATOM 931 CB THR B 56 28.194 -19.122 10.627 1.00 0.00 C ATOM 932 OG1 THR B 56 27.836 -17.800 10.249 1.00 0.00 O ATOM 933 CG2 THR B 56 29.250 -19.663 9.661 1.00 0.00 C ATOM 0 H THR B 56 26.776 -19.279 8.590 1.00 0.00 H new ATOM 0 HA THR B 56 27.249 -21.056 10.724 1.00 0.00 H new ATOM 0 HB THR B 56 28.601 -19.113 11.638 1.00 0.00 H new ATOM 0 HG1 THR B 56 28.629 -17.225 10.278 1.00 0.00 H new ATOM 0 HG21 THR B 56 30.133 -19.025 9.693 1.00 0.00 H new ATOM 0 HG22 THR B 56 29.524 -20.677 9.952 1.00 0.00 H new ATOM 0 HG23 THR B 56 28.846 -19.673 8.649 1.00 0.00 H new ATOM 941 N SER B 57 26.457 -19.602 12.919 1.00 0.00 N ATOM 942 CA SER B 57 25.577 -19.212 14.055 1.00 0.00 C ATOM 943 C SER B 57 26.440 -18.887 15.276 1.00 0.00 C ATOM 944 O SER B 57 27.606 -18.571 15.156 1.00 0.00 O ATOM 945 CB SER B 57 24.636 -20.370 14.391 1.00 0.00 C ATOM 946 OG SER B 57 23.896 -20.048 15.562 1.00 0.00 O ATOM 0 H SER B 57 27.411 -19.854 13.178 1.00 0.00 H new ATOM 0 HA SER B 57 24.991 -18.336 13.778 1.00 0.00 H new ATOM 0 HB2 SER B 57 23.958 -20.557 13.558 1.00 0.00 H new ATOM 0 HB3 SER B 57 25.208 -21.285 14.548 1.00 0.00 H new ATOM 0 HG SER B 57 23.290 -20.787 15.780 1.00 0.00 H new ATOM 952 N THR B 58 25.877 -18.963 16.451 1.00 0.00 N ATOM 953 CA THR B 58 26.669 -18.661 17.677 1.00 0.00 C ATOM 954 C THR B 58 27.491 -19.890 18.071 1.00 0.00 C ATOM 955 O THR B 58 27.212 -20.995 17.652 1.00 0.00 O ATOM 956 CB THR B 58 25.721 -18.297 18.821 1.00 0.00 C ATOM 957 OG1 THR B 58 24.671 -19.252 18.885 1.00 0.00 O ATOM 958 CG2 THR B 58 25.135 -16.906 18.578 1.00 0.00 C ATOM 0 H THR B 58 24.904 -19.221 16.615 1.00 0.00 H new ATOM 0 HA THR B 58 27.338 -17.824 17.478 1.00 0.00 H new ATOM 0 HB THR B 58 26.270 -18.297 19.763 1.00 0.00 H new ATOM 0 HG1 THR B 58 24.063 -19.021 19.619 1.00 0.00 H new ATOM 0 HG21 THR B 58 24.460 -16.648 19.394 1.00 0.00 H new ATOM 0 HG22 THR B 58 25.942 -16.175 18.530 1.00 0.00 H new ATOM 0 HG23 THR B 58 24.585 -16.902 17.637 1.00 0.00 H new ATOM 966 N PHE B 59 28.503 -19.706 18.874 1.00 0.00 N ATOM 967 CA PHE B 59 29.342 -20.864 19.294 1.00 0.00 C ATOM 968 C PHE B 59 30.098 -20.505 20.575 1.00 0.00 C ATOM 969 O PHE B 59 29.649 -20.777 21.670 1.00 0.00 O ATOM 970 CB PHE B 59 30.343 -21.197 18.186 1.00 0.00 C ATOM 971 CG PHE B 59 29.616 -21.834 17.024 1.00 0.00 C ATOM 972 CD1 PHE B 59 29.188 -23.165 17.112 1.00 0.00 C ATOM 973 CD2 PHE B 59 29.372 -21.096 15.858 1.00 0.00 C ATOM 974 CE1 PHE B 59 28.515 -23.757 16.037 1.00 0.00 C ATOM 975 CE2 PHE B 59 28.700 -21.689 14.782 1.00 0.00 C ATOM 976 CZ PHE B 59 28.272 -23.019 14.871 1.00 0.00 C ATOM 0 H PHE B 59 28.785 -18.804 19.257 1.00 0.00 H new ATOM 0 HA PHE B 59 28.704 -21.729 19.478 1.00 0.00 H new ATOM 0 HB2 PHE B 59 30.852 -20.291 17.857 1.00 0.00 H new ATOM 0 HB3 PHE B 59 31.109 -21.874 18.565 1.00 0.00 H new ATOM 0 HD1 PHE B 59 29.377 -23.735 18.010 1.00 0.00 H new ATOM 0 HD2 PHE B 59 29.702 -20.070 15.789 1.00 0.00 H new ATOM 0 HE1 PHE B 59 28.183 -24.782 16.106 1.00 0.00 H new ATOM 0 HE2 PHE B 59 28.512 -21.120 13.883 1.00 0.00 H new ATOM 0 HZ PHE B 59 27.754 -23.476 14.041 1.00 0.00 H new ATOM 986 N THR B 60 31.245 -19.892 20.446 1.00 0.00 N ATOM 987 CA THR B 60 32.027 -19.515 21.658 1.00 0.00 C ATOM 988 C THR B 60 31.210 -18.536 22.506 1.00 0.00 C ATOM 989 O THR B 60 30.856 -17.462 22.062 1.00 0.00 O ATOM 990 CB THR B 60 33.339 -18.852 21.233 1.00 0.00 C ATOM 991 OG1 THR B 60 33.054 -17.736 20.399 1.00 0.00 O ATOM 992 CG2 THR B 60 34.197 -19.858 20.466 1.00 0.00 C ATOM 0 H THR B 60 31.673 -19.637 19.556 1.00 0.00 H new ATOM 0 HA THR B 60 32.246 -20.408 22.243 1.00 0.00 H new ATOM 0 HB THR B 60 33.881 -18.517 22.118 1.00 0.00 H new ATOM 0 HG1 THR B 60 32.181 -17.362 20.640 1.00 0.00 H new ATOM 0 HG21 THR B 60 35.131 -19.384 20.164 1.00 0.00 H new ATOM 0 HG22 THR B 60 34.414 -20.713 21.106 1.00 0.00 H new ATOM 0 HG23 THR B 60 33.658 -20.195 19.580 1.00 0.00 H new ATOM 1000 N ASN B 61 30.907 -18.900 23.722 1.00 0.00 N ATOM 1001 CA ASN B 61 30.112 -17.992 24.594 1.00 0.00 C ATOM 1002 C ASN B 61 30.992 -16.831 25.064 1.00 0.00 C ATOM 1003 O ASN B 61 31.411 -16.002 24.280 1.00 0.00 O ATOM 1004 CB ASN B 61 29.600 -18.773 25.808 1.00 0.00 C ATOM 1005 CG ASN B 61 30.774 -19.469 26.500 1.00 0.00 C ATOM 1006 OD1 ASN B 61 31.918 -19.136 26.264 1.00 0.00 O ATOM 1007 ND2 ASN B 61 30.537 -20.429 27.351 1.00 0.00 N ATOM 0 H ASN B 61 31.176 -19.787 24.149 1.00 0.00 H new ATOM 0 HA ASN B 61 29.265 -17.597 24.032 1.00 0.00 H new ATOM 0 HB2 ASN B 61 29.102 -18.098 26.504 1.00 0.00 H new ATOM 0 HB3 ASN B 61 28.860 -19.510 25.494 1.00 0.00 H new ATOM 0 HD21 ASN B 61 31.312 -20.900 27.818 1.00 0.00 H new ATOM 0 HD22 ASN B 61 29.576 -20.709 27.550 1.00 0.00 H new ATOM 1014 N ILE B 62 31.275 -16.762 26.337 1.00 0.00 N ATOM 1015 CA ILE B 62 32.125 -15.653 26.855 1.00 0.00 C ATOM 1016 C ILE B 62 33.515 -15.734 26.221 1.00 0.00 C ATOM 1017 O ILE B 62 33.999 -16.799 25.893 1.00 0.00 O ATOM 1018 CB ILE B 62 32.248 -15.773 28.376 1.00 0.00 C ATOM 1019 CG1 ILE B 62 30.867 -16.048 28.987 1.00 0.00 C ATOM 1020 CG2 ILE B 62 32.811 -14.472 28.951 1.00 0.00 C ATOM 1021 CD1 ILE B 62 29.850 -15.027 28.466 1.00 0.00 C ATOM 0 H ILE B 62 30.954 -17.427 27.041 1.00 0.00 H new ATOM 0 HA ILE B 62 31.668 -14.696 26.602 1.00 0.00 H new ATOM 0 HB ILE B 62 32.920 -16.596 28.617 1.00 0.00 H new ATOM 0 HG12 ILE B 62 30.543 -17.058 28.734 1.00 0.00 H new ATOM 0 HG13 ILE B 62 30.924 -15.994 30.074 1.00 0.00 H new ATOM 0 HG21 ILE B 62 32.897 -14.560 30.034 1.00 0.00 H new ATOM 0 HG22 ILE B 62 33.795 -14.281 28.523 1.00 0.00 H new ATOM 0 HG23 ILE B 62 32.142 -13.647 28.706 1.00 0.00 H new ATOM 0 HD11 ILE B 62 28.873 -15.230 28.905 1.00 0.00 H new ATOM 0 HD12 ILE B 62 30.170 -14.022 28.741 1.00 0.00 H new ATOM 0 HD13 ILE B 62 29.783 -15.102 27.381 1.00 0.00 H new ATOM 1033 N THR B 63 34.162 -14.614 26.047 1.00 0.00 N ATOM 1034 CA THR B 63 35.520 -14.622 25.436 1.00 0.00 C ATOM 1035 C THR B 63 36.197 -13.272 25.681 1.00 0.00 C ATOM 1036 O THR B 63 37.393 -13.132 25.531 1.00 0.00 O ATOM 1037 CB THR B 63 35.400 -14.865 23.930 1.00 0.00 C ATOM 1038 OG1 THR B 63 34.520 -15.956 23.696 1.00 0.00 O ATOM 1039 CG2 THR B 63 36.779 -15.187 23.353 1.00 0.00 C ATOM 0 H THR B 63 33.807 -13.692 26.302 1.00 0.00 H new ATOM 0 HA THR B 63 36.116 -15.415 25.886 1.00 0.00 H new ATOM 0 HB THR B 63 35.006 -13.971 23.447 1.00 0.00 H new ATOM 0 HG1 THR B 63 34.664 -16.645 24.378 1.00 0.00 H new ATOM 0 HG21 THR B 63 36.693 -15.360 22.280 1.00 0.00 H new ATOM 0 HG22 THR B 63 37.453 -14.350 23.533 1.00 0.00 H new ATOM 0 HG23 THR B 63 37.175 -16.081 23.834 1.00 0.00 H new ATOM 1047 N TYR B 64 35.438 -12.278 26.057 1.00 0.00 N ATOM 1048 CA TYR B 64 36.037 -10.938 26.312 1.00 0.00 C ATOM 1049 C TYR B 64 36.766 -10.460 25.054 1.00 0.00 C ATOM 1050 O TYR B 64 37.053 -11.231 24.163 1.00 0.00 O ATOM 1051 CB TYR B 64 37.028 -11.036 27.478 1.00 0.00 C ATOM 1052 CG TYR B 64 37.331 -9.656 28.012 1.00 0.00 C ATOM 1053 CD1 TYR B 64 36.433 -9.035 28.889 1.00 0.00 C ATOM 1054 CD2 TYR B 64 38.507 -8.999 27.633 1.00 0.00 C ATOM 1055 CE1 TYR B 64 36.714 -7.757 29.388 1.00 0.00 C ATOM 1056 CE2 TYR B 64 38.788 -7.721 28.131 1.00 0.00 C ATOM 1057 CZ TYR B 64 37.890 -7.100 29.009 1.00 0.00 C ATOM 1058 OH TYR B 64 38.166 -5.840 29.502 1.00 0.00 O ATOM 0 H TYR B 64 34.430 -12.337 26.198 1.00 0.00 H new ATOM 0 HA TYR B 64 35.251 -10.227 26.566 1.00 0.00 H new ATOM 0 HB2 TYR B 64 36.611 -11.658 28.270 1.00 0.00 H new ATOM 0 HB3 TYR B 64 37.948 -11.517 27.145 1.00 0.00 H new ATOM 0 HD1 TYR B 64 35.525 -9.541 29.180 1.00 0.00 H new ATOM 0 HD2 TYR B 64 39.198 -9.478 26.956 1.00 0.00 H new ATOM 0 HE1 TYR B 64 36.023 -7.278 30.066 1.00 0.00 H new ATOM 0 HE2 TYR B 64 39.696 -7.214 27.839 1.00 0.00 H new ATOM 0 HH TYR B 64 39.022 -5.528 29.141 1.00 0.00 H new ATOM 1068 N ARG B 65 37.064 -9.191 24.974 1.00 0.00 N ATOM 1069 CA ARG B 65 37.772 -8.667 23.772 1.00 0.00 C ATOM 1070 C ARG B 65 36.975 -9.022 22.516 1.00 0.00 C ATOM 1071 O ARG B 65 36.985 -10.148 22.060 1.00 0.00 O ATOM 1072 CB ARG B 65 39.168 -9.297 23.685 1.00 0.00 C ATOM 1073 CG ARG B 65 40.033 -8.533 22.663 1.00 0.00 C ATOM 1074 CD ARG B 65 40.727 -7.344 23.339 1.00 0.00 C ATOM 1075 NE ARG B 65 41.605 -7.841 24.436 1.00 0.00 N ATOM 1076 CZ ARG B 65 42.509 -7.055 24.952 1.00 0.00 C ATOM 1077 NH1 ARG B 65 42.635 -5.832 24.517 1.00 0.00 N ATOM 1078 NH2 ARG B 65 43.286 -7.491 25.907 1.00 0.00 N ATOM 0 H ARG B 65 36.848 -8.496 25.688 1.00 0.00 H new ATOM 0 HA ARG B 65 37.866 -7.584 23.850 1.00 0.00 H new ATOM 0 HB2 ARG B 65 39.646 -9.277 24.664 1.00 0.00 H new ATOM 0 HB3 ARG B 65 39.085 -10.344 23.392 1.00 0.00 H new ATOM 0 HG2 ARG B 65 40.779 -9.203 22.234 1.00 0.00 H new ATOM 0 HG3 ARG B 65 39.411 -8.180 21.841 1.00 0.00 H new ATOM 0 HD2 ARG B 65 41.317 -6.790 22.609 1.00 0.00 H new ATOM 0 HD3 ARG B 65 39.984 -6.654 23.738 1.00 0.00 H new ATOM 0 HE ARG B 65 41.499 -8.794 24.783 1.00 0.00 H new ATOM 0 HH11 ARG B 65 42.027 -5.490 23.773 1.00 0.00 H new ATOM 0 HH12 ARG B 65 43.342 -5.217 24.921 1.00 0.00 H new ATOM 0 HH21 ARG B 65 43.186 -8.447 26.250 1.00 0.00 H new ATOM 0 HH22 ARG B 65 43.993 -6.876 26.310 1.00 0.00 H new ATOM 1092 N GLY B 66 36.282 -8.070 21.953 1.00 0.00 N ATOM 1093 CA GLY B 66 35.486 -8.357 20.727 1.00 0.00 C ATOM 1094 C GLY B 66 34.486 -9.476 21.023 1.00 0.00 C ATOM 1095 O GLY B 66 34.415 -9.985 22.123 1.00 0.00 O ATOM 0 H GLY B 66 36.233 -7.108 22.288 1.00 0.00 H new ATOM 0 HA2 GLY B 66 34.959 -7.459 20.403 1.00 0.00 H new ATOM 0 HA3 GLY B 66 36.147 -8.651 19.911 1.00 0.00 H new ATOM 1099 N THR B 67 33.713 -9.863 20.046 1.00 0.00 N ATOM 1100 CA THR B 67 32.719 -10.949 20.272 1.00 0.00 C ATOM 1101 C THR B 67 33.431 -12.188 20.819 1.00 0.00 C ATOM 1102 O THR B 67 34.061 -12.879 20.035 1.00 0.00 O ATOM 1103 CB THR B 67 32.036 -11.294 18.948 1.00 0.00 C ATOM 1104 OG1 THR B 67 32.989 -11.862 18.061 1.00 0.00 O ATOM 1105 CG2 THR B 67 31.452 -10.024 18.330 1.00 0.00 C ATOM 1106 OXT THR B 67 33.335 -12.424 22.012 1.00 0.00 O ATOM 0 H THR B 67 33.727 -9.475 19.103 1.00 0.00 H new ATOM 0 HA THR B 67 31.971 -10.615 20.991 1.00 0.00 H new ATOM 0 HB THR B 67 31.234 -12.010 19.126 1.00 0.00 H new ATOM 0 HG1 THR B 67 33.507 -12.547 18.533 1.00 0.00 H new ATOM 0 HG21 THR B 67 30.965 -10.269 17.386 1.00 0.00 H new ATOM 0 HG22 THR B 67 30.722 -9.590 19.013 1.00 0.00 H new ATOM 0 HG23 THR B 67 32.252 -9.306 18.150 1.00 0.00 H new TER 1114 THR B 67