USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1024 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 TYR OH : rot 37:sc=0.000724 USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.0152 (180deg=-0.3) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.8 K(o=-2.8,f=-9.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 173:sc= -2.32 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.697 (180deg=-1.25) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -1.09 (180deg=-1.39) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00175 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.278) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 62 TYR OH : rot 130:sc= -2.89 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0.963 K(o=0.96,f=0) USER MOD Single : A 79 TYR OH : rot -112:sc= 0.964 USER MOD Single : A 84 MET CE :methyl 145:sc= -0.518 (180deg=-1.9!) USER MOD Single : A 97 ASN : amide:sc= -5.72! C(o=-5.7!,f=-14!) USER MOD Single : A 100 TYR OH : rot 30:sc= -1.15 USER MOD Single : A 101 ASN : amide:sc= -8 K(o=-8,f=-15!) USER MOD Single : A 106 SER OG : rot 95:sc= 0.567 USER MOD Single : A 111 THR OG1 : rot 87:sc= 0.805 USER MOD Single : A 112 LYS NZ :NH3+ -124:sc= -0.374 (180deg=-1.85!) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 9.819 -6.399 -24.294 1.00 0.00 N ATOM 2 CA LYS A 8 9.262 -5.148 -23.717 1.00 0.00 C ATOM 3 C LYS A 8 7.824 -5.348 -23.248 1.00 0.00 C ATOM 4 O LYS A 8 6.969 -4.486 -23.445 1.00 0.00 O ATOM 5 CB LYS A 8 9.328 -4.051 -24.784 1.00 0.00 C ATOM 6 CG LYS A 8 10.520 -3.122 -24.627 1.00 0.00 C ATOM 7 CD LYS A 8 10.405 -1.909 -25.538 1.00 0.00 C ATOM 8 CE LYS A 8 9.353 -0.933 -25.036 1.00 0.00 C ATOM 9 NZ LYS A 8 9.753 -0.299 -23.750 1.00 0.00 N ATOM 0 HA LYS A 8 9.850 -4.860 -22.846 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.367 -4.516 -25.769 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.411 -3.462 -24.745 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.593 -2.794 -23.590 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.438 -3.664 -24.855 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.370 -1.406 -25.599 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.150 -2.233 -26.547 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.188 -0.160 -25.786 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.406 -1.456 -24.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.186 0.559 -23.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.593 -0.967 -22.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.761 -0.045 -23.787 1.00 0.00 H new ATOM 25 N MET A 9 7.566 -6.492 -22.622 1.00 0.00 N ATOM 26 CA MET A 9 6.232 -6.806 -22.123 1.00 0.00 C ATOM 27 C MET A 9 6.173 -6.673 -20.605 1.00 0.00 C ATOM 28 O MET A 9 6.705 -7.510 -19.877 1.00 0.00 O ATOM 29 CB MET A 9 5.830 -8.222 -22.537 1.00 0.00 C ATOM 30 CG MET A 9 6.885 -9.270 -22.223 1.00 0.00 C ATOM 31 SD MET A 9 6.173 -10.831 -21.670 1.00 0.00 S ATOM 32 CE MET A 9 6.497 -11.873 -23.090 1.00 0.00 C ATOM 0 H MET A 9 8.263 -7.216 -22.448 1.00 0.00 H new ATOM 0 HA MET A 9 5.532 -6.094 -22.560 1.00 0.00 H new ATOM 0 HB2 MET A 9 4.902 -8.490 -22.032 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.625 -8.234 -23.607 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.491 -9.447 -23.111 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.553 -8.887 -21.452 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.114 -12.876 -22.901 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.003 -11.456 -23.968 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.571 -11.923 -23.267 1.00 0.00 H new ATOM 42 N SER A 10 5.521 -5.614 -20.134 1.00 0.00 N ATOM 43 CA SER A 10 5.392 -5.370 -18.702 1.00 0.00 C ATOM 44 C SER A 10 3.981 -5.689 -18.221 1.00 0.00 C ATOM 45 O SER A 10 2.999 -5.182 -18.765 1.00 0.00 O ATOM 46 CB SER A 10 5.738 -3.916 -18.379 1.00 0.00 C ATOM 47 OG SER A 10 7.033 -3.583 -18.848 1.00 0.00 O ATOM 0 H SER A 10 5.074 -4.912 -20.723 1.00 0.00 H new ATOM 0 HA SER A 10 6.090 -6.026 -18.182 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.002 -3.254 -18.835 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.686 -3.757 -17.302 1.00 0.00 H new ATOM 0 HG SER A 10 7.229 -2.648 -18.631 1.00 0.00 H new ATOM 53 N GLU A 11 3.886 -6.532 -17.198 1.00 0.00 N ATOM 54 CA GLU A 11 2.593 -6.917 -16.642 1.00 0.00 C ATOM 55 C GLU A 11 2.192 -5.984 -15.504 1.00 0.00 C ATOM 56 O GLU A 11 3.039 -5.511 -14.747 1.00 0.00 O ATOM 57 CB GLU A 11 2.640 -8.362 -16.142 1.00 0.00 C ATOM 58 CG GLU A 11 2.124 -9.373 -17.153 1.00 0.00 C ATOM 59 CD GLU A 11 1.102 -10.324 -16.560 1.00 0.00 C ATOM 60 OE1 GLU A 11 -0.090 -9.955 -16.506 1.00 0.00 O ATOM 61 OE2 GLU A 11 1.494 -11.436 -16.149 1.00 0.00 O ATOM 0 H GLU A 11 4.688 -6.962 -16.737 1.00 0.00 H new ATOM 0 HA GLU A 11 1.846 -6.838 -17.432 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.668 -8.614 -15.881 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.051 -8.441 -15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.677 -8.844 -17.994 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.963 -9.947 -17.547 1.00 0.00 H new ATOM 68 N LYS A 12 0.894 -5.722 -15.390 1.00 0.00 N ATOM 69 CA LYS A 12 0.379 -4.845 -14.347 1.00 0.00 C ATOM 70 C LYS A 12 -0.750 -5.521 -13.573 1.00 0.00 C ATOM 71 O LYS A 12 -1.562 -6.246 -14.148 1.00 0.00 O ATOM 72 CB LYS A 12 -0.118 -3.535 -14.960 1.00 0.00 C ATOM 73 CG LYS A 12 -1.334 -3.699 -15.858 1.00 0.00 C ATOM 74 CD LYS A 12 -0.937 -4.125 -17.263 1.00 0.00 C ATOM 75 CE LYS A 12 -1.889 -5.171 -17.819 1.00 0.00 C ATOM 76 NZ LYS A 12 -2.146 -4.971 -19.272 1.00 0.00 N ATOM 0 H LYS A 12 0.179 -6.106 -16.009 1.00 0.00 H new ATOM 0 HA LYS A 12 1.190 -4.630 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.362 -2.839 -14.157 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.690 -3.085 -15.537 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.007 -4.441 -15.428 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.883 -2.759 -15.904 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.928 -3.255 -17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.077 -4.525 -17.250 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.471 -6.165 -17.658 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.832 -5.130 -17.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.800 -5.704 -19.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.568 -4.033 -19.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.250 -5.036 -19.795 1.00 0.00 H new ATOM 90 N LEU A 13 -0.797 -5.276 -12.267 1.00 0.00 N ATOM 91 CA LEU A 13 -1.829 -5.861 -11.418 1.00 0.00 C ATOM 92 C LEU A 13 -3.060 -4.963 -11.370 1.00 0.00 C ATOM 93 O LEU A 13 -2.947 -3.737 -11.371 1.00 0.00 O ATOM 94 CB LEU A 13 -1.291 -6.085 -10.002 1.00 0.00 C ATOM 95 CG LEU A 13 -2.228 -6.856 -9.069 1.00 0.00 C ATOM 96 CD1 LEU A 13 -2.176 -8.345 -9.376 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.867 -6.593 -7.612 1.00 0.00 C ATOM 0 H LEU A 13 -0.134 -4.678 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.115 -6.822 -11.844 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.346 -6.624 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.074 -5.115 -9.554 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.247 -6.507 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.848 -8.879 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.484 -8.515 -10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.158 -8.710 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.544 -7.149 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.842 -6.914 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.957 -5.527 -7.402 1.00 0.00 H new ATOM 109 N ARG A 14 -4.238 -5.580 -11.333 1.00 0.00 N ATOM 110 CA ARG A 14 -5.487 -4.830 -11.288 1.00 0.00 C ATOM 111 C ARG A 14 -5.766 -4.316 -9.880 1.00 0.00 C ATOM 112 O ARG A 14 -6.230 -5.058 -9.016 1.00 0.00 O ATOM 113 CB ARG A 14 -6.650 -5.699 -11.762 1.00 0.00 C ATOM 114 CG ARG A 14 -6.354 -6.471 -13.038 1.00 0.00 C ATOM 115 CD ARG A 14 -7.414 -7.526 -13.312 1.00 0.00 C ATOM 116 NE ARG A 14 -8.182 -7.230 -14.519 1.00 0.00 N ATOM 117 CZ ARG A 14 -7.746 -7.472 -15.753 1.00 0.00 C ATOM 118 NH1 ARG A 14 -6.549 -8.011 -15.948 1.00 0.00 N ATOM 119 NH2 ARG A 14 -8.509 -7.172 -16.796 1.00 0.00 N ATOM 0 H ARG A 14 -4.353 -6.594 -11.333 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.387 -3.974 -11.956 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.910 -6.404 -10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.522 -5.066 -11.925 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.302 -5.779 -13.879 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.377 -6.948 -12.957 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.937 -8.501 -13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.090 -7.591 -12.459 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.107 -6.813 -14.410 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.958 -8.242 -15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.220 -8.194 -16.896 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.429 -6.756 -16.652 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.175 -7.357 -17.742 1.00 0.00 H new ATOM 133 N ILE A 15 -5.482 -3.040 -9.661 1.00 0.00 N ATOM 134 CA ILE A 15 -5.702 -2.417 -8.365 1.00 0.00 C ATOM 135 C ILE A 15 -6.326 -1.035 -8.530 1.00 0.00 C ATOM 136 O ILE A 15 -5.690 -0.112 -9.037 1.00 0.00 O ATOM 137 CB ILE A 15 -4.382 -2.288 -7.580 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.685 -3.647 -7.490 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.637 -1.725 -6.190 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.276 -3.571 -6.942 1.00 0.00 C ATOM 0 H ILE A 15 -5.097 -2.414 -10.368 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.385 -3.057 -7.806 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.729 -1.597 -8.112 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.277 -4.308 -6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.656 -4.097 -8.482 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.693 -1.642 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.094 -0.739 -6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.307 -2.390 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.845 -4.571 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.668 -2.936 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.299 -3.150 -5.937 1.00 0.00 H new ATOM 152 N LYS A 16 -7.576 -0.902 -8.100 1.00 0.00 N ATOM 153 CA LYS A 16 -8.288 0.366 -8.201 1.00 0.00 C ATOM 154 C LYS A 16 -8.831 0.790 -6.841 1.00 0.00 C ATOM 155 O LYS A 16 -9.283 -0.042 -6.056 1.00 0.00 O ATOM 156 CB LYS A 16 -9.435 0.252 -9.208 1.00 0.00 C ATOM 157 CG LYS A 16 -8.978 -0.111 -10.610 1.00 0.00 C ATOM 158 CD LYS A 16 -9.999 0.313 -11.656 1.00 0.00 C ATOM 159 CE LYS A 16 -10.085 1.826 -11.771 1.00 0.00 C ATOM 160 NZ LYS A 16 -10.076 2.277 -13.190 1.00 0.00 N ATOM 0 H LYS A 16 -8.117 -1.657 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.585 1.124 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.141 -0.501 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.972 1.200 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.022 0.369 -10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.815 -1.187 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.728 -0.111 -12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.978 -0.089 -11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.996 2.176 -11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.247 2.278 -11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.136 3.315 -13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.196 1.966 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.890 1.866 -13.690 1.00 0.00 H new ATOM 174 N VAL A 17 -8.781 2.088 -6.568 1.00 0.00 N ATOM 175 CA VAL A 17 -9.268 2.618 -5.300 1.00 0.00 C ATOM 176 C VAL A 17 -10.291 3.725 -5.522 1.00 0.00 C ATOM 177 O VAL A 17 -10.039 4.679 -6.257 1.00 0.00 O ATOM 178 CB VAL A 17 -8.119 3.165 -4.426 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.437 2.963 -2.954 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.794 2.503 -4.783 1.00 0.00 C ATOM 0 H VAL A 17 -8.409 2.792 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.740 1.785 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.022 4.233 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.619 3.353 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.357 3.492 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.563 1.899 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.003 2.908 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.870 1.427 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.559 2.700 -5.829 1.00 0.00 H new ATOM 190 N ASP A 18 -11.445 3.593 -4.876 1.00 0.00 N ATOM 191 CA ASP A 18 -12.508 4.583 -4.999 1.00 0.00 C ATOM 192 C ASP A 18 -13.369 4.617 -3.739 1.00 0.00 C ATOM 193 O ASP A 18 -14.541 4.990 -3.787 1.00 0.00 O ATOM 194 CB ASP A 18 -13.380 4.277 -6.219 1.00 0.00 C ATOM 195 CG ASP A 18 -13.000 5.115 -7.425 1.00 0.00 C ATOM 196 OD1 ASP A 18 -11.867 4.957 -7.925 1.00 0.00 O ATOM 197 OD2 ASP A 18 -13.837 5.929 -7.869 1.00 0.00 O ATOM 0 H ASP A 18 -11.668 2.810 -4.262 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.046 5.562 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.290 3.220 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.426 4.457 -5.969 1.00 0.00 H new ATOM 202 N ASP A 19 -12.781 4.225 -2.611 1.00 0.00 N ATOM 203 CA ASP A 19 -13.496 4.214 -1.341 1.00 0.00 C ATOM 204 C ASP A 19 -12.594 4.683 -0.204 1.00 0.00 C ATOM 205 O ASP A 19 -11.398 4.394 -0.189 1.00 0.00 O ATOM 206 CB ASP A 19 -14.026 2.809 -1.042 1.00 0.00 C ATOM 207 CG ASP A 19 -14.931 2.780 0.173 1.00 0.00 C ATOM 208 OD1 ASP A 19 -14.407 2.699 1.304 1.00 0.00 O ATOM 209 OD2 ASP A 19 -16.166 2.835 -0.005 1.00 0.00 O ATOM 0 H ASP A 19 -11.812 3.911 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.337 4.903 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.573 2.438 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.186 2.133 -0.882 1.00 0.00 H new ATOM 214 N VAL A 20 -13.175 5.408 0.746 1.00 0.00 N ATOM 215 CA VAL A 20 -12.422 5.917 1.887 1.00 0.00 C ATOM 216 C VAL A 20 -13.314 6.065 3.114 1.00 0.00 C ATOM 217 O VAL A 20 -14.427 6.584 3.027 1.00 0.00 O ATOM 218 CB VAL A 20 -11.776 7.279 1.570 1.00 0.00 C ATOM 219 CG1 VAL A 20 -10.839 7.701 2.692 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.035 7.222 0.241 1.00 0.00 C ATOM 0 H VAL A 20 -14.164 5.656 0.749 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.638 5.190 2.097 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.567 8.025 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.392 8.665 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.400 7.785 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.052 6.956 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.585 8.193 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.254 6.464 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.735 6.969 -0.555 1.00 0.00 H new ATOM 230 N LYS A 21 -12.817 5.607 4.260 1.00 0.00 N ATOM 231 CA LYS A 21 -13.568 5.690 5.507 1.00 0.00 C ATOM 232 C LYS A 21 -12.888 6.641 6.486 1.00 0.00 C ATOM 233 O LYS A 21 -11.819 6.342 7.018 1.00 0.00 O ATOM 234 CB LYS A 21 -13.706 4.303 6.137 1.00 0.00 C ATOM 235 CG LYS A 21 -14.945 4.150 7.006 1.00 0.00 C ATOM 236 CD LYS A 21 -14.639 3.397 8.292 1.00 0.00 C ATOM 237 CE LYS A 21 -15.691 2.339 8.583 1.00 0.00 C ATOM 238 NZ LYS A 21 -15.563 1.161 7.680 1.00 0.00 N ATOM 0 H LYS A 21 -11.897 5.175 4.350 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.561 6.078 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.733 3.554 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.822 4.097 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.345 5.135 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.718 3.620 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.659 2.925 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.589 4.100 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.600 2.013 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.684 2.775 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.299 0.464 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.675 1.467 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.625 0.729 7.804 1.00 0.00 H new ATOM 252 N ILE A 22 -13.514 7.790 6.718 1.00 0.00 N ATOM 253 CA ILE A 22 -12.971 8.787 7.628 1.00 0.00 C ATOM 254 C ILE A 22 -13.306 8.453 9.078 1.00 0.00 C ATOM 255 O ILE A 22 -14.452 8.586 9.507 1.00 0.00 O ATOM 256 CB ILE A 22 -13.506 10.196 7.304 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.515 10.434 5.793 1.00 0.00 C ATOM 258 CG2 ILE A 22 -12.667 11.249 8.005 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.142 10.374 5.163 1.00 0.00 C ATOM 0 H ILE A 22 -14.400 8.052 6.286 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.889 8.776 7.496 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.531 10.270 7.666 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.155 9.690 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.957 11.410 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.055 12.240 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.710 11.090 9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.633 11.174 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.226 10.552 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.504 11.137 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.706 9.390 5.335 1.00 0.00 H new ATOM 271 N ASN A 23 -12.298 8.021 9.831 1.00 0.00 N ATOM 272 CA ASN A 23 -12.489 7.673 11.234 1.00 0.00 C ATOM 273 C ASN A 23 -11.751 8.656 12.139 1.00 0.00 C ATOM 274 O ASN A 23 -10.689 9.166 11.779 1.00 0.00 O ATOM 275 CB ASN A 23 -11.998 6.248 11.505 1.00 0.00 C ATOM 276 CG ASN A 23 -12.556 5.243 10.516 1.00 0.00 C ATOM 277 OD1 ASN A 23 -12.668 5.524 9.322 1.00 0.00 O ATOM 278 ND2 ASN A 23 -12.911 4.062 11.011 1.00 0.00 N ATOM 0 H ASN A 23 -11.343 7.904 9.493 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.555 7.728 11.453 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.909 6.228 11.463 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.283 5.955 12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.294 3.345 10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.801 3.872 12.007 1.00 0.00 H new ATOM 285 N PRO A 24 -12.302 8.935 13.332 1.00 0.00 N ATOM 286 CA PRO A 24 -11.690 9.864 14.288 1.00 0.00 C ATOM 287 C PRO A 24 -10.233 9.519 14.583 1.00 0.00 C ATOM 288 O PRO A 24 -9.451 10.381 14.983 1.00 0.00 O ATOM 289 CB PRO A 24 -12.541 9.691 15.548 1.00 0.00 C ATOM 290 CG PRO A 24 -13.861 9.210 15.054 1.00 0.00 C ATOM 291 CD PRO A 24 -13.567 8.370 13.841 1.00 0.00 C ATOM 0 HA PRO A 24 -11.670 10.884 13.905 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.090 8.974 16.234 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.641 10.631 16.090 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.375 8.626 15.818 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.512 10.047 14.801 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.462 7.316 14.098 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.365 8.439 13.101 1.00 0.00 H new ATOM 299 N LYS A 25 -9.876 8.253 14.389 1.00 0.00 N ATOM 300 CA LYS A 25 -8.514 7.798 14.642 1.00 0.00 C ATOM 301 C LYS A 25 -7.641 7.949 13.399 1.00 0.00 C ATOM 302 O LYS A 25 -6.477 8.338 13.493 1.00 0.00 O ATOM 303 CB LYS A 25 -8.519 6.339 15.102 1.00 0.00 C ATOM 304 CG LYS A 25 -8.710 6.175 16.601 1.00 0.00 C ATOM 305 CD LYS A 25 -8.318 4.781 17.063 1.00 0.00 C ATOM 306 CE LYS A 25 -6.808 4.634 17.172 1.00 0.00 C ATOM 307 NZ LYS A 25 -6.417 3.702 18.266 1.00 0.00 N ATOM 0 H LYS A 25 -10.510 7.526 14.058 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.094 8.421 15.431 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.315 5.805 14.582 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.578 5.871 14.811 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.110 6.916 17.129 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.752 6.366 16.859 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.775 4.575 18.031 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.707 4.042 16.363 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.410 4.269 16.225 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.360 5.612 17.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.380 3.630 18.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.775 4.062 19.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.823 2.762 18.083 1.00 0.00 H new ATOM 321 N TYR A 26 -8.206 7.635 12.237 1.00 0.00 N ATOM 322 CA TYR A 26 -7.468 7.735 10.983 1.00 0.00 C ATOM 323 C TYR A 26 -8.377 7.474 9.786 1.00 0.00 C ATOM 324 O TYR A 26 -9.455 6.898 9.926 1.00 0.00 O ATOM 325 CB TYR A 26 -6.301 6.745 10.975 1.00 0.00 C ATOM 326 CG TYR A 26 -6.655 5.382 11.528 1.00 0.00 C ATOM 327 CD1 TYR A 26 -7.662 4.617 10.952 1.00 0.00 C ATOM 328 CD2 TYR A 26 -5.983 4.860 12.628 1.00 0.00 C ATOM 329 CE1 TYR A 26 -7.988 3.372 11.456 1.00 0.00 C ATOM 330 CE2 TYR A 26 -6.302 3.616 13.135 1.00 0.00 C ATOM 331 CZ TYR A 26 -7.306 2.876 12.546 1.00 0.00 C ATOM 332 OH TYR A 26 -7.628 1.637 13.050 1.00 0.00 O ATOM 0 H TYR A 26 -9.168 7.311 12.138 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.079 8.750 10.903 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.941 6.630 9.953 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.479 7.161 11.558 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.198 5.001 10.097 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.198 5.438 13.094 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.774 2.790 10.998 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.768 3.224 13.988 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.052 1.436 13.817 1.00 0.00 H new ATOM 342 N VAL A 27 -7.932 7.901 8.609 1.00 0.00 N ATOM 343 CA VAL A 27 -8.702 7.712 7.385 1.00 0.00 C ATOM 344 C VAL A 27 -8.265 6.448 6.653 1.00 0.00 C ATOM 345 O VAL A 27 -7.082 6.264 6.362 1.00 0.00 O ATOM 346 CB VAL A 27 -8.553 8.918 6.437 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.511 8.800 5.262 1.00 0.00 C ATOM 348 CG2 VAL A 27 -8.779 10.220 7.191 1.00 0.00 C ATOM 0 H VAL A 27 -7.042 8.381 8.477 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.747 7.617 7.679 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.536 8.923 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.389 9.661 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.295 7.887 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.536 8.767 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.670 11.061 6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.783 10.225 7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.046 10.308 7.993 1.00 0.00 H new ATOM 358 N LEU A 28 -9.225 5.575 6.362 1.00 0.00 N ATOM 359 CA LEU A 28 -8.934 4.326 5.667 1.00 0.00 C ATOM 360 C LEU A 28 -9.224 4.446 4.175 1.00 0.00 C ATOM 361 O LEU A 28 -9.972 5.323 3.744 1.00 0.00 O ATOM 362 CB LEU A 28 -9.754 3.181 6.268 1.00 0.00 C ATOM 363 CG LEU A 28 -9.543 2.949 7.766 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.239 1.671 8.210 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.057 2.892 8.096 1.00 0.00 C ATOM 0 H LEU A 28 -10.209 5.709 6.596 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.873 4.111 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.811 3.380 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.510 2.262 5.736 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.982 3.786 8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.079 1.521 9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.308 1.751 8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.830 0.824 7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.928 2.726 9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.593 2.075 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.586 3.834 7.815 1.00 0.00 H new ATOM 377 N TYR A 29 -8.622 3.557 3.389 1.00 0.00 N ATOM 378 CA TYR A 29 -8.811 3.561 1.943 1.00 0.00 C ATOM 379 C TYR A 29 -9.232 2.182 1.443 1.00 0.00 C ATOM 380 O TYR A 29 -8.546 1.190 1.680 1.00 0.00 O ATOM 381 CB TYR A 29 -7.521 3.990 1.241 1.00 0.00 C ATOM 382 CG TYR A 29 -7.309 5.487 1.220 1.00 0.00 C ATOM 383 CD1 TYR A 29 -6.709 6.138 2.289 1.00 0.00 C ATOM 384 CD2 TYR A 29 -7.706 6.247 0.127 1.00 0.00 C ATOM 385 CE1 TYR A 29 -6.512 7.505 2.273 1.00 0.00 C ATOM 386 CE2 TYR A 29 -7.511 7.615 0.101 1.00 0.00 C ATOM 387 CZ TYR A 29 -6.914 8.239 1.176 1.00 0.00 C ATOM 388 OH TYR A 29 -6.718 9.602 1.152 1.00 0.00 O ATOM 0 H TYR A 29 -7.999 2.825 3.730 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.603 4.273 1.710 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.673 3.519 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.535 3.620 0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.391 5.566 3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.175 5.761 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.046 7.996 3.114 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.824 8.192 -0.756 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.953 9.951 0.267 1.00 0.00 H new ATOM 398 N GLY A 30 -10.360 2.131 0.743 1.00 0.00 N ATOM 399 CA GLY A 30 -10.847 0.871 0.214 1.00 0.00 C ATOM 400 C GLY A 30 -10.220 0.531 -1.124 1.00 0.00 C ATOM 401 O GLY A 30 -10.718 0.943 -2.171 1.00 0.00 O ATOM 0 H GLY A 30 -10.945 2.939 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.634 0.074 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.930 0.920 0.104 1.00 0.00 H new ATOM 405 N VAL A 31 -9.120 -0.214 -1.089 1.00 0.00 N ATOM 406 CA VAL A 31 -8.416 -0.597 -2.307 1.00 0.00 C ATOM 407 C VAL A 31 -8.985 -1.881 -2.898 1.00 0.00 C ATOM 408 O VAL A 31 -9.053 -2.911 -2.230 1.00 0.00 O ATOM 409 CB VAL A 31 -6.910 -0.789 -2.048 1.00 0.00 C ATOM 410 CG1 VAL A 31 -6.167 -1.026 -3.354 1.00 0.00 C ATOM 411 CG2 VAL A 31 -6.339 0.415 -1.312 1.00 0.00 C ATOM 0 H VAL A 31 -8.697 -0.565 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.556 0.217 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.778 -1.669 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.105 -1.159 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.558 -1.921 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.305 -0.168 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.274 0.263 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.483 1.312 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.850 0.534 -0.357 1.00 0.00 H new ATOM 421 N SER A 32 -9.389 -1.804 -4.161 1.00 0.00 N ATOM 422 CA SER A 32 -9.954 -2.955 -4.858 1.00 0.00 C ATOM 423 C SER A 32 -8.873 -3.729 -5.610 1.00 0.00 C ATOM 424 O SER A 32 -8.091 -3.151 -6.365 1.00 0.00 O ATOM 425 CB SER A 32 -11.044 -2.505 -5.832 1.00 0.00 C ATOM 426 OG SER A 32 -12.165 -3.370 -5.781 1.00 0.00 O ATOM 0 H SER A 32 -9.336 -0.955 -4.724 1.00 0.00 H new ATOM 0 HA SER A 32 -10.392 -3.616 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.354 -1.488 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.644 -2.484 -6.846 1.00 0.00 H new ATOM 0 HG SER A 32 -12.847 -3.059 -6.412 1.00 0.00 H new ATOM 432 N THR A 33 -8.839 -5.041 -5.397 1.00 0.00 N ATOM 433 CA THR A 33 -7.858 -5.905 -6.051 1.00 0.00 C ATOM 434 C THR A 33 -8.391 -7.335 -6.143 1.00 0.00 C ATOM 435 O THR A 33 -9.427 -7.651 -5.560 1.00 0.00 O ATOM 436 CB THR A 33 -6.535 -5.887 -5.279 1.00 0.00 C ATOM 437 OG1 THR A 33 -6.646 -6.627 -4.077 1.00 0.00 O ATOM 438 CG2 THR A 33 -6.068 -4.493 -4.917 1.00 0.00 C ATOM 0 H THR A 33 -9.481 -5.532 -4.775 1.00 0.00 H new ATOM 0 HA THR A 33 -7.681 -5.529 -7.059 1.00 0.00 H new ATOM 0 HB THR A 33 -5.804 -6.333 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.791 -6.605 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.126 -4.555 -4.372 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.923 -3.910 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.818 -4.009 -4.291 1.00 0.00 H new ATOM 446 N PRO A 34 -7.695 -8.228 -6.873 1.00 0.00 N ATOM 447 CA PRO A 34 -8.124 -9.624 -7.016 1.00 0.00 C ATOM 448 C PRO A 34 -8.388 -10.279 -5.664 1.00 0.00 C ATOM 449 O PRO A 34 -9.203 -11.194 -5.553 1.00 0.00 O ATOM 450 CB PRO A 34 -6.940 -10.292 -7.718 1.00 0.00 C ATOM 451 CG PRO A 34 -6.274 -9.186 -8.461 1.00 0.00 C ATOM 452 CD PRO A 34 -6.446 -7.958 -7.610 1.00 0.00 C ATOM 0 HA PRO A 34 -9.061 -9.713 -7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.261 -10.753 -7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.272 -11.080 -8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.219 -9.404 -8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.726 -9.047 -9.443 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.603 -7.816 -6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.524 -7.056 -8.217 1.00 0.00 H new ATOM 460 N ASN A 35 -7.697 -9.793 -4.639 1.00 0.00 N ATOM 461 CA ASN A 35 -7.857 -10.314 -3.287 1.00 0.00 C ATOM 462 C ASN A 35 -9.143 -9.793 -2.649 1.00 0.00 C ATOM 463 O ASN A 35 -9.563 -10.285 -1.602 1.00 0.00 O ATOM 464 CB ASN A 35 -6.659 -9.918 -2.426 1.00 0.00 C ATOM 465 CG ASN A 35 -6.505 -10.803 -1.204 1.00 0.00 C ATOM 466 OD1 ASN A 35 -6.870 -10.418 -0.094 1.00 0.00 O ATOM 467 ND2 ASN A 35 -5.961 -11.998 -1.404 1.00 0.00 N ATOM 0 H ASN A 35 -7.018 -9.036 -4.720 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.916 -11.401 -3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.751 -9.971 -3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.771 -8.881 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.832 -12.637 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.673 -12.277 -2.342 1.00 0.00 H new ATOM 474 N LYS A 36 -9.749 -8.788 -3.295 1.00 0.00 N ATOM 475 CA LYS A 36 -10.993 -8.147 -2.839 1.00 0.00 C ATOM 476 C LYS A 36 -10.698 -6.766 -2.261 1.00 0.00 C ATOM 477 O LYS A 36 -9.592 -6.246 -2.412 1.00 0.00 O ATOM 478 CB LYS A 36 -11.752 -9.002 -1.812 1.00 0.00 C ATOM 479 CG LYS A 36 -12.175 -10.364 -2.342 1.00 0.00 C ATOM 480 CD LYS A 36 -12.630 -11.282 -1.220 1.00 0.00 C ATOM 481 CE LYS A 36 -14.131 -11.188 -0.997 1.00 0.00 C ATOM 482 NZ LYS A 36 -14.567 -9.786 -0.749 1.00 0.00 N ATOM 0 H LYS A 36 -9.385 -8.391 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.638 -8.044 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.122 -9.144 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.638 -8.459 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.984 -10.240 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.342 -10.823 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.360 -12.311 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.107 -11.020 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.653 -11.582 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.412 -11.811 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.530 -9.786 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.917 -9.335 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.559 -9.256 -1.644 1.00 0.00 H new ATOM 496 N ARG A 37 -11.693 -6.170 -1.611 1.00 0.00 N ATOM 497 CA ARG A 37 -11.533 -4.844 -1.027 1.00 0.00 C ATOM 498 C ARG A 37 -10.818 -4.922 0.318 1.00 0.00 C ATOM 499 O ARG A 37 -11.201 -5.695 1.194 1.00 0.00 O ATOM 500 CB ARG A 37 -12.896 -4.172 -0.857 1.00 0.00 C ATOM 501 CG ARG A 37 -12.915 -2.716 -1.293 1.00 0.00 C ATOM 502 CD ARG A 37 -13.129 -2.583 -2.793 1.00 0.00 C ATOM 503 NE ARG A 37 -14.197 -1.639 -3.112 1.00 0.00 N ATOM 504 CZ ARG A 37 -15.493 -1.936 -3.042 1.00 0.00 C ATOM 505 NH1 ARG A 37 -15.885 -3.147 -2.665 1.00 0.00 N ATOM 506 NH2 ARG A 37 -16.400 -1.019 -3.348 1.00 0.00 N ATOM 0 H ARG A 37 -12.616 -6.583 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.923 -4.247 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.639 -4.725 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.194 -4.233 0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.708 -2.187 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.974 -2.240 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.202 -2.255 -3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.371 -3.559 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.935 -0.698 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.192 -3.856 -2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.879 -3.368 -2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.105 -0.086 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.393 -1.246 -3.295 1.00 0.00 H new ATOM 520 N LEU A 38 -9.775 -4.113 0.470 1.00 0.00 N ATOM 521 CA LEU A 38 -8.999 -4.084 1.703 1.00 0.00 C ATOM 522 C LEU A 38 -8.735 -2.646 2.142 1.00 0.00 C ATOM 523 O LEU A 38 -8.313 -1.811 1.342 1.00 0.00 O ATOM 524 CB LEU A 38 -7.676 -4.828 1.511 1.00 0.00 C ATOM 525 CG LEU A 38 -7.379 -5.897 2.562 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.561 -7.030 1.958 1.00 0.00 C ATOM 527 CD2 LEU A 38 -6.651 -5.284 3.748 1.00 0.00 C ATOM 0 H LEU A 38 -9.447 -3.467 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.575 -4.581 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.680 -5.298 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.864 -4.101 1.514 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.325 -6.310 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.360 -7.781 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.119 -7.485 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.618 -6.636 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.446 -6.057 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.711 -4.846 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.273 -4.509 4.196 1.00 0.00 H new ATOM 539 N TYR A 39 -8.988 -2.363 3.415 1.00 0.00 N ATOM 540 CA TYR A 39 -8.779 -1.025 3.955 1.00 0.00 C ATOM 541 C TYR A 39 -7.303 -0.787 4.259 1.00 0.00 C ATOM 542 O TYR A 39 -6.628 -1.649 4.823 1.00 0.00 O ATOM 543 CB TYR A 39 -9.613 -0.826 5.222 1.00 0.00 C ATOM 544 CG TYR A 39 -11.013 -0.322 4.951 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.222 0.921 4.365 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.124 -1.089 5.278 1.00 0.00 C ATOM 547 CE1 TYR A 39 -12.500 1.385 4.115 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.404 -0.631 5.031 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.588 0.605 4.449 1.00 0.00 C ATOM 550 OH TYR A 39 -14.860 1.064 4.201 1.00 0.00 O ATOM 0 H TYR A 39 -9.338 -3.042 4.092 1.00 0.00 H new ATOM 0 HA TYR A 39 -9.098 -0.303 3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -9.674 -1.772 5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.102 -0.120 5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.373 1.534 4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.985 -2.059 5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -12.646 2.354 3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.257 -1.239 5.293 1.00 0.00 H new ATOM 0 HH TYR A 39 -14.870 1.558 3.355 1.00 0.00 H new ATOM 560 N LYS A 40 -6.808 0.385 3.876 1.00 0.00 N ATOM 561 CA LYS A 40 -5.409 0.733 4.104 1.00 0.00 C ATOM 562 C LYS A 40 -5.286 2.069 4.828 1.00 0.00 C ATOM 563 O LYS A 40 -6.279 2.761 5.055 1.00 0.00 O ATOM 564 CB LYS A 40 -4.658 0.798 2.774 1.00 0.00 C ATOM 565 CG LYS A 40 -4.812 -0.454 1.927 1.00 0.00 C ATOM 566 CD LYS A 40 -3.817 -0.471 0.778 1.00 0.00 C ATOM 567 CE LYS A 40 -3.527 -1.890 0.320 1.00 0.00 C ATOM 568 NZ LYS A 40 -4.656 -2.464 -0.462 1.00 0.00 N ATOM 0 H LYS A 40 -7.353 1.109 3.407 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.969 -0.042 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.015 1.657 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.599 0.965 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.666 -1.337 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.827 -0.506 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.212 0.109 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.890 0.009 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.623 -1.897 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.331 -2.519 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.574 -3.501 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.557 -2.196 -0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.626 -2.097 -1.435 1.00 0.00 H new ATOM 582 N ARG A 41 -4.057 2.425 5.184 1.00 0.00 N ATOM 583 CA ARG A 41 -3.790 3.678 5.878 1.00 0.00 C ATOM 584 C ARG A 41 -2.553 4.357 5.298 1.00 0.00 C ATOM 585 O ARG A 41 -1.579 3.693 4.947 1.00 0.00 O ATOM 586 CB ARG A 41 -3.595 3.425 7.375 1.00 0.00 C ATOM 587 CG ARG A 41 -4.863 3.611 8.195 1.00 0.00 C ATOM 588 CD ARG A 41 -4.583 3.498 9.684 1.00 0.00 C ATOM 589 NE ARG A 41 -3.692 4.555 10.157 1.00 0.00 N ATOM 590 CZ ARG A 41 -3.012 4.496 11.299 1.00 0.00 C ATOM 591 NH1 ARG A 41 -3.120 3.435 12.090 1.00 0.00 N ATOM 592 NH2 ARG A 41 -2.222 5.500 11.652 1.00 0.00 N ATOM 0 H ARG A 41 -3.227 1.861 5.002 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.647 4.337 5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.226 2.410 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.826 4.100 7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.298 4.587 7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.599 2.862 7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.523 3.544 10.234 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.137 2.526 9.896 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.585 5.387 9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.727 2.660 11.823 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.596 3.395 12.964 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.136 6.318 11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.701 5.455 12.527 1.00 0.00 H new ATOM 606 N TYR A 42 -2.596 5.682 5.196 1.00 0.00 N ATOM 607 CA TYR A 42 -1.473 6.440 4.656 1.00 0.00 C ATOM 608 C TYR A 42 -0.194 6.142 5.432 1.00 0.00 C ATOM 609 O TYR A 42 0.788 5.655 4.869 1.00 0.00 O ATOM 610 CB TYR A 42 -1.771 7.940 4.697 1.00 0.00 C ATOM 611 CG TYR A 42 -0.809 8.765 3.872 1.00 0.00 C ATOM 612 CD1 TYR A 42 -0.832 8.712 2.485 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.123 9.595 4.483 1.00 0.00 C ATOM 614 CE1 TYR A 42 0.047 9.463 1.728 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.005 10.350 3.733 1.00 0.00 C ATOM 616 CZ TYR A 42 0.964 10.281 2.356 1.00 0.00 C ATOM 617 OH TYR A 42 1.839 11.029 1.606 1.00 0.00 O ATOM 0 H TYR A 42 -3.394 6.251 5.479 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.328 6.136 3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.786 8.111 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.737 8.282 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.548 8.074 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.159 9.651 5.561 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.016 9.410 0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.723 10.991 4.223 1.00 0.00 H new ATOM 0 HH TYR A 42 2.417 11.551 2.201 1.00 0.00 H new ATOM 627 N SER A 43 -0.214 6.434 6.728 1.00 0.00 N ATOM 628 CA SER A 43 0.941 6.191 7.583 1.00 0.00 C ATOM 629 C SER A 43 1.330 4.716 7.560 1.00 0.00 C ATOM 630 O SER A 43 2.487 4.365 7.794 1.00 0.00 O ATOM 631 CB SER A 43 0.644 6.630 9.018 1.00 0.00 C ATOM 632 OG SER A 43 0.032 7.908 9.044 1.00 0.00 O ATOM 0 H SER A 43 -1.017 6.839 7.209 1.00 0.00 H new ATOM 0 HA SER A 43 1.776 6.777 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.009 5.901 9.497 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.570 6.655 9.593 1.00 0.00 H new ATOM 0 HG SER A 43 -0.149 8.165 9.972 1.00 0.00 H new ATOM 638 N GLU A 44 0.358 3.857 7.274 1.00 0.00 N ATOM 639 CA GLU A 44 0.599 2.420 7.218 1.00 0.00 C ATOM 640 C GLU A 44 1.503 2.070 6.040 1.00 0.00 C ATOM 641 O GLU A 44 2.428 1.270 6.173 1.00 0.00 O ATOM 642 CB GLU A 44 -0.725 1.661 7.105 1.00 0.00 C ATOM 643 CG GLU A 44 -1.248 1.150 8.438 1.00 0.00 C ATOM 644 CD GLU A 44 -2.404 0.180 8.278 1.00 0.00 C ATOM 645 OE1 GLU A 44 -2.588 -0.344 7.160 1.00 0.00 O ATOM 646 OE2 GLU A 44 -3.123 -0.054 9.272 1.00 0.00 O ATOM 0 H GLU A 44 -0.605 4.131 7.077 1.00 0.00 H new ATOM 0 HA GLU A 44 1.099 2.123 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.473 2.316 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.594 0.817 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.438 0.659 8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.569 1.995 9.046 1.00 0.00 H new ATOM 653 N PHE A 45 1.230 2.678 4.889 1.00 0.00 N ATOM 654 CA PHE A 45 2.024 2.432 3.690 1.00 0.00 C ATOM 655 C PHE A 45 3.493 2.741 3.945 1.00 0.00 C ATOM 656 O PHE A 45 4.354 1.876 3.790 1.00 0.00 O ATOM 657 CB PHE A 45 1.502 3.273 2.523 1.00 0.00 C ATOM 658 CG PHE A 45 0.799 2.466 1.469 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.522 1.706 0.562 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.584 2.467 1.385 1.00 0.00 C ATOM 661 CE1 PHE A 45 0.878 0.963 -0.408 1.00 0.00 C ATOM 662 CE2 PHE A 45 -1.233 1.726 0.416 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.502 0.973 -0.482 1.00 0.00 C ATOM 0 H PHE A 45 0.467 3.343 4.762 1.00 0.00 H new ATOM 0 HA PHE A 45 1.933 1.377 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.817 4.028 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.337 3.804 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.601 1.695 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.161 3.053 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.452 0.375 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.312 1.736 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.008 0.393 -1.240 1.00 0.00 H new ATOM 673 N TRP A 46 3.775 3.975 4.352 1.00 0.00 N ATOM 674 CA TRP A 46 5.144 4.379 4.641 1.00 0.00 C ATOM 675 C TRP A 46 5.724 3.511 5.753 1.00 0.00 C ATOM 676 O TRP A 46 6.931 3.273 5.807 1.00 0.00 O ATOM 677 CB TRP A 46 5.199 5.856 5.043 1.00 0.00 C ATOM 678 CG TRP A 46 6.564 6.303 5.474 1.00 0.00 C ATOM 679 CD1 TRP A 46 7.028 6.395 6.755 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.642 6.713 4.626 1.00 0.00 C ATOM 681 NE1 TRP A 46 8.329 6.836 6.754 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.729 7.040 5.460 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.795 6.836 3.242 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.950 7.479 4.954 1.00 0.00 C ATOM 685 CZ3 TRP A 46 9.007 7.273 2.742 1.00 0.00 C ATOM 686 CH2 TRP A 46 10.070 7.590 3.595 1.00 0.00 C ATOM 0 H TRP A 46 3.078 4.707 4.488 1.00 0.00 H new ATOM 0 HA TRP A 46 5.740 4.245 3.738 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.873 6.467 4.201 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.494 6.031 5.855 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.456 6.156 7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.904 6.987 7.583 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.981 6.594 2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.772 7.723 5.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.136 7.372 1.674 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.004 7.929 3.172 1.00 0.00 H new ATOM 697 N LYS A 47 4.850 3.036 6.636 1.00 0.00 N ATOM 698 CA LYS A 47 5.265 2.188 7.745 1.00 0.00 C ATOM 699 C LYS A 47 5.800 0.853 7.234 1.00 0.00 C ATOM 700 O LYS A 47 6.586 0.194 7.911 1.00 0.00 O ATOM 701 CB LYS A 47 4.093 1.955 8.701 1.00 0.00 C ATOM 702 CG LYS A 47 4.226 2.700 10.020 1.00 0.00 C ATOM 703 CD LYS A 47 4.887 1.838 11.085 1.00 0.00 C ATOM 704 CE LYS A 47 4.184 1.972 12.426 1.00 0.00 C ATOM 705 NZ LYS A 47 3.241 0.847 12.676 1.00 0.00 N ATOM 0 H LYS A 47 3.848 3.226 6.603 1.00 0.00 H new ATOM 0 HA LYS A 47 6.065 2.696 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.169 2.262 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.007 0.887 8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.812 3.606 9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.240 3.012 10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.875 0.795 10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.933 2.127 11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.927 2.006 13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.639 2.916 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.783 0.977 13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.517 0.829 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.764 -0.052 12.672 1.00 0.00 H new ATOM 719 N LEU A 48 5.366 0.460 6.039 1.00 0.00 N ATOM 720 CA LEU A 48 5.805 -0.797 5.441 1.00 0.00 C ATOM 721 C LEU A 48 7.055 -0.589 4.587 1.00 0.00 C ATOM 722 O LEU A 48 7.873 -1.496 4.435 1.00 0.00 O ATOM 723 CB LEU A 48 4.681 -1.398 4.589 1.00 0.00 C ATOM 724 CG LEU A 48 5.081 -2.599 3.729 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.331 -3.820 4.598 1.00 0.00 C ATOM 726 CD2 LEU A 48 4.004 -2.893 2.693 1.00 0.00 C ATOM 0 H LEU A 48 4.712 0.993 5.467 1.00 0.00 H new ATOM 0 HA LEU A 48 6.052 -1.489 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.869 -1.700 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.287 -0.620 3.936 1.00 0.00 H new ATOM 0 HG LEU A 48 6.006 -2.355 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.614 -4.663 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.135 -3.607 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.423 -4.067 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.304 -3.750 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.064 -3.116 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.872 -2.024 2.049 1.00 0.00 H new ATOM 738 N LYS A 49 7.189 0.609 4.028 1.00 0.00 N ATOM 739 CA LYS A 49 8.331 0.941 3.181 1.00 0.00 C ATOM 740 C LYS A 49 9.655 0.721 3.910 1.00 0.00 C ATOM 741 O LYS A 49 10.393 -0.216 3.605 1.00 0.00 O ATOM 742 CB LYS A 49 8.230 2.394 2.711 1.00 0.00 C ATOM 743 CG LYS A 49 8.473 2.570 1.221 1.00 0.00 C ATOM 744 CD LYS A 49 8.858 4.001 0.884 1.00 0.00 C ATOM 745 CE LYS A 49 10.148 4.409 1.577 1.00 0.00 C ATOM 746 NZ LYS A 49 10.983 5.298 0.722 1.00 0.00 N ATOM 0 H LYS A 49 6.519 1.369 4.146 1.00 0.00 H new ATOM 0 HA LYS A 49 8.309 0.276 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.240 2.779 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.952 2.996 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.264 1.894 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.574 2.295 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.975 4.103 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.055 4.675 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.912 4.920 2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.718 3.517 1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.788 4.759 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.409 5.663 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.337 6.094 1.290 1.00 0.00 H new ATOM 760 N THR A 50 9.953 1.599 4.862 1.00 0.00 N ATOM 761 CA THR A 50 11.197 1.519 5.631 1.00 0.00 C ATOM 762 C THR A 50 11.488 0.091 6.091 1.00 0.00 C ATOM 763 O THR A 50 12.647 -0.309 6.194 1.00 0.00 O ATOM 764 CB THR A 50 11.144 2.465 6.837 1.00 0.00 C ATOM 765 OG1 THR A 50 12.048 2.049 7.846 1.00 0.00 O ATOM 766 CG2 THR A 50 9.769 2.569 7.468 1.00 0.00 C ATOM 0 H THR A 50 9.349 2.379 5.123 1.00 0.00 H new ATOM 0 HA THR A 50 12.009 1.827 4.972 1.00 0.00 H new ATOM 0 HB THR A 50 11.416 3.443 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.999 2.667 8.605 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.808 3.255 8.314 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.058 2.942 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.452 1.585 7.813 1.00 0.00 H new ATOM 774 N ARG A 51 10.438 -0.676 6.356 1.00 0.00 N ATOM 775 CA ARG A 51 10.604 -2.058 6.792 1.00 0.00 C ATOM 776 C ARG A 51 11.265 -2.875 5.694 1.00 0.00 C ATOM 777 O ARG A 51 12.345 -3.434 5.882 1.00 0.00 O ATOM 778 CB ARG A 51 9.254 -2.677 7.153 1.00 0.00 C ATOM 779 CG ARG A 51 8.421 -1.808 8.074 1.00 0.00 C ATOM 780 CD ARG A 51 8.897 -1.900 9.515 1.00 0.00 C ATOM 781 NE ARG A 51 7.808 -2.225 10.433 1.00 0.00 N ATOM 782 CZ ARG A 51 7.980 -2.460 11.732 1.00 0.00 C ATOM 783 NH1 ARG A 51 9.193 -2.407 12.269 1.00 0.00 N ATOM 784 NH2 ARG A 51 6.935 -2.749 12.497 1.00 0.00 N ATOM 0 H ARG A 51 9.469 -0.368 6.278 1.00 0.00 H new ATOM 0 HA ARG A 51 11.239 -2.064 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.693 -2.866 6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.421 -3.643 7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.470 -0.772 7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.376 -2.113 8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.675 -2.660 9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.348 -0.952 9.809 1.00 0.00 H new ATOM 0 HE ARG A 51 6.861 -2.275 10.057 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.000 -2.185 11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.318 -2.588 13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.001 -2.791 12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.066 -2.929 13.492 1.00 0.00 H new ATOM 798 N LEU A 52 10.607 -2.929 4.542 1.00 0.00 N ATOM 799 CA LEU A 52 11.123 -3.667 3.392 1.00 0.00 C ATOM 800 C LEU A 52 12.598 -3.350 3.159 1.00 0.00 C ATOM 801 O LEU A 52 13.357 -4.192 2.682 1.00 0.00 O ATOM 802 CB LEU A 52 10.318 -3.324 2.138 1.00 0.00 C ATOM 803 CG LEU A 52 8.817 -3.597 2.232 1.00 0.00 C ATOM 804 CD1 LEU A 52 8.066 -2.834 1.153 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.542 -5.089 2.122 1.00 0.00 C ATOM 0 H LEU A 52 9.712 -2.469 4.378 1.00 0.00 H new ATOM 0 HA LEU A 52 11.025 -4.732 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.465 -2.269 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.722 -3.892 1.300 1.00 0.00 H new ATOM 0 HG LEU A 52 8.463 -3.251 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.999 -3.041 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.239 -1.765 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.421 -3.148 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.469 -5.267 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.910 -5.457 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.049 -5.613 2.932 1.00 0.00 H new ATOM 817 N GLU A 53 12.994 -2.128 3.501 1.00 0.00 N ATOM 818 CA GLU A 53 14.377 -1.698 3.328 1.00 0.00 C ATOM 819 C GLU A 53 15.303 -2.425 4.299 1.00 0.00 C ATOM 820 O GLU A 53 16.381 -2.882 3.919 1.00 0.00 O ATOM 821 CB GLU A 53 14.492 -0.186 3.533 1.00 0.00 C ATOM 822 CG GLU A 53 14.112 0.625 2.304 1.00 0.00 C ATOM 823 CD GLU A 53 14.774 1.989 2.279 1.00 0.00 C ATOM 824 OE1 GLU A 53 16.021 2.044 2.296 1.00 0.00 O ATOM 825 OE2 GLU A 53 14.044 3.002 2.240 1.00 0.00 O ATOM 0 H GLU A 53 12.378 -1.419 3.899 1.00 0.00 H new ATOM 0 HA GLU A 53 14.682 -1.946 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.853 0.109 4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.516 0.057 3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.393 0.072 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.030 0.750 2.276 1.00 0.00 H new ATOM 832 N ARG A 54 14.875 -2.528 5.554 1.00 0.00 N ATOM 833 CA ARG A 54 15.668 -3.199 6.578 1.00 0.00 C ATOM 834 C ARG A 54 15.416 -4.706 6.576 1.00 0.00 C ATOM 835 O ARG A 54 16.230 -5.480 7.077 1.00 0.00 O ATOM 836 CB ARG A 54 15.347 -2.622 7.958 1.00 0.00 C ATOM 837 CG ARG A 54 15.343 -1.103 7.997 1.00 0.00 C ATOM 838 CD ARG A 54 15.398 -0.581 9.423 1.00 0.00 C ATOM 839 NE ARG A 54 14.207 -0.948 10.187 1.00 0.00 N ATOM 840 CZ ARG A 54 14.143 -0.927 11.517 1.00 0.00 C ATOM 841 NH1 ARG A 54 15.198 -0.558 12.234 1.00 0.00 N ATOM 842 NH2 ARG A 54 13.021 -1.276 12.131 1.00 0.00 N ATOM 0 H ARG A 54 13.985 -2.156 5.885 1.00 0.00 H new ATOM 0 HA ARG A 54 16.720 -3.028 6.350 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.371 -2.988 8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.077 -2.994 8.677 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.196 -0.722 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.445 -0.728 7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.284 -0.977 9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.499 0.504 9.408 1.00 0.00 H new ATOM 0 HE ARG A 54 13.376 -1.237 9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.064 -0.289 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.143 -0.544 13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.208 -1.560 11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.971 -1.260 13.150 1.00 0.00 H new ATOM 856 N ASP A 55 14.285 -5.116 6.009 1.00 0.00 N ATOM 857 CA ASP A 55 13.931 -6.529 5.946 1.00 0.00 C ATOM 858 C ASP A 55 14.497 -7.174 4.686 1.00 0.00 C ATOM 859 O ASP A 55 14.950 -8.318 4.711 1.00 0.00 O ATOM 860 CB ASP A 55 12.412 -6.698 5.981 1.00 0.00 C ATOM 861 CG ASP A 55 11.855 -6.634 7.390 1.00 0.00 C ATOM 862 OD1 ASP A 55 11.787 -7.693 8.050 1.00 0.00 O ATOM 863 OD2 ASP A 55 11.487 -5.527 7.832 1.00 0.00 O ATOM 0 H ASP A 55 13.599 -4.490 5.587 1.00 0.00 H new ATOM 0 HA ASP A 55 14.364 -7.026 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.949 -5.920 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.145 -7.654 5.531 1.00 0.00 H new ATOM 868 N VAL A 56 14.469 -6.432 3.584 1.00 0.00 N ATOM 869 CA VAL A 56 14.980 -6.928 2.314 1.00 0.00 C ATOM 870 C VAL A 56 16.435 -6.523 2.117 1.00 0.00 C ATOM 871 O VAL A 56 17.211 -7.242 1.487 1.00 0.00 O ATOM 872 CB VAL A 56 14.149 -6.401 1.130 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.581 -7.069 -0.165 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.664 -6.614 1.382 1.00 0.00 C ATOM 0 H VAL A 56 14.097 -5.483 3.546 1.00 0.00 H new ATOM 0 HA VAL A 56 14.906 -8.015 2.344 1.00 0.00 H new ATOM 0 HB VAL A 56 14.326 -5.330 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.982 -6.684 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.634 -6.857 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.437 -8.146 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.093 -6.235 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.465 -7.678 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.368 -6.081 2.286 1.00 0.00 H new ATOM 884 N GLY A 57 16.795 -5.367 2.659 1.00 0.00 N ATOM 885 CA GLY A 57 18.157 -4.881 2.531 1.00 0.00 C ATOM 886 C GLY A 57 18.356 -4.020 1.296 1.00 0.00 C ATOM 887 O GLY A 57 19.408 -3.402 1.128 1.00 0.00 O ATOM 0 H GLY A 57 16.169 -4.757 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.418 -4.303 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.840 -5.730 2.491 1.00 0.00 H new ATOM 891 N SER A 58 17.347 -3.979 0.430 1.00 0.00 N ATOM 892 CA SER A 58 17.422 -3.187 -0.792 1.00 0.00 C ATOM 893 C SER A 58 16.591 -1.914 -0.668 1.00 0.00 C ATOM 894 O SER A 58 15.773 -1.782 0.242 1.00 0.00 O ATOM 895 CB SER A 58 16.939 -4.009 -1.989 1.00 0.00 C ATOM 896 OG SER A 58 18.013 -4.699 -2.601 1.00 0.00 O ATOM 0 H SER A 58 16.470 -4.484 0.552 1.00 0.00 H new ATOM 0 HA SER A 58 18.464 -2.906 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.183 -4.723 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.463 -3.352 -2.717 1.00 0.00 H new ATOM 0 HG SER A 58 17.677 -5.218 -3.362 1.00 0.00 H new ATOM 902 N THR A 59 16.807 -0.980 -1.588 1.00 0.00 N ATOM 903 CA THR A 59 16.077 0.283 -1.582 1.00 0.00 C ATOM 904 C THR A 59 14.753 0.148 -2.327 1.00 0.00 C ATOM 905 O THR A 59 14.685 -0.481 -3.382 1.00 0.00 O ATOM 906 CB THR A 59 16.923 1.390 -2.215 1.00 0.00 C ATOM 907 OG1 THR A 59 17.928 0.838 -3.048 1.00 0.00 O ATOM 908 CG2 THR A 59 17.607 2.275 -1.196 1.00 0.00 C ATOM 0 H THR A 59 17.482 -1.074 -2.347 1.00 0.00 H new ATOM 0 HA THR A 59 15.865 0.547 -0.546 1.00 0.00 H new ATOM 0 HB THR A 59 16.223 1.997 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.457 1.561 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.190 3.039 -1.710 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.856 2.754 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.268 1.671 -0.575 1.00 0.00 H new ATOM 916 N ILE A 60 13.703 0.743 -1.770 1.00 0.00 N ATOM 917 CA ILE A 60 12.382 0.689 -2.382 1.00 0.00 C ATOM 918 C ILE A 60 12.259 1.716 -3.510 1.00 0.00 C ATOM 919 O ILE A 60 12.562 2.893 -3.319 1.00 0.00 O ATOM 920 CB ILE A 60 11.271 0.932 -1.338 1.00 0.00 C ATOM 921 CG1 ILE A 60 9.903 0.588 -1.927 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.295 2.370 -0.842 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.450 -0.822 -1.619 1.00 0.00 C ATOM 0 H ILE A 60 13.742 1.268 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 60 12.259 -0.311 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 60 11.456 0.279 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.164 1.291 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.938 0.722 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.503 2.515 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.260 2.580 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.140 3.047 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.472 -0.996 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.169 -1.532 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.382 -0.955 -0.539 1.00 0.00 H new ATOM 935 N PRO A 61 11.827 1.283 -4.710 1.00 0.00 N ATOM 936 CA PRO A 61 11.684 2.167 -5.866 1.00 0.00 C ATOM 937 C PRO A 61 10.328 2.866 -5.929 1.00 0.00 C ATOM 938 O PRO A 61 9.765 3.043 -7.010 1.00 0.00 O ATOM 939 CB PRO A 61 11.837 1.199 -7.034 1.00 0.00 C ATOM 940 CG PRO A 61 11.243 -0.078 -6.540 1.00 0.00 C ATOM 941 CD PRO A 61 11.459 -0.108 -5.045 1.00 0.00 C ATOM 0 HA PRO A 61 12.405 2.984 -5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.317 1.562 -7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.884 1.070 -7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.181 -0.128 -6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.718 -0.936 -7.017 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.558 -0.421 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.248 -0.807 -4.770 1.00 0.00 H new ATOM 949 N TYR A 62 9.807 3.267 -4.773 1.00 0.00 N ATOM 950 CA TYR A 62 8.519 3.951 -4.716 1.00 0.00 C ATOM 951 C TYR A 62 8.664 5.334 -4.092 1.00 0.00 C ATOM 952 O TYR A 62 9.428 5.522 -3.146 1.00 0.00 O ATOM 953 CB TYR A 62 7.512 3.124 -3.918 1.00 0.00 C ATOM 954 CG TYR A 62 7.128 1.825 -4.590 1.00 0.00 C ATOM 955 CD1 TYR A 62 6.598 1.815 -5.873 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.297 0.611 -3.939 1.00 0.00 C ATOM 957 CE1 TYR A 62 6.245 0.629 -6.489 1.00 0.00 C ATOM 958 CE2 TYR A 62 6.947 -0.579 -4.548 1.00 0.00 C ATOM 959 CZ TYR A 62 6.422 -0.565 -5.822 1.00 0.00 C ATOM 960 OH TYR A 62 6.073 -1.749 -6.430 1.00 0.00 O ATOM 0 H TYR A 62 10.255 3.131 -3.867 1.00 0.00 H new ATOM 0 HA TYR A 62 8.155 4.068 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.931 2.905 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.613 3.719 -3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.459 2.749 -6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.709 0.596 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.833 0.637 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.084 -1.516 -4.028 1.00 0.00 H new ATOM 0 HH TYR A 62 6.817 -2.383 -6.362 1.00 0.00 H new ATOM 970 N ASP A 63 7.925 6.299 -4.629 1.00 0.00 N ATOM 971 CA ASP A 63 7.969 7.667 -4.124 1.00 0.00 C ATOM 972 C ASP A 63 6.971 7.859 -2.987 1.00 0.00 C ATOM 973 O ASP A 63 5.886 7.277 -2.995 1.00 0.00 O ATOM 974 CB ASP A 63 7.673 8.659 -5.250 1.00 0.00 C ATOM 975 CG ASP A 63 8.931 9.115 -5.963 1.00 0.00 C ATOM 976 OD1 ASP A 63 9.791 8.258 -6.259 1.00 0.00 O ATOM 977 OD2 ASP A 63 9.057 10.330 -6.227 1.00 0.00 O ATOM 0 H ASP A 63 7.288 6.159 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 63 8.972 7.853 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.998 8.197 -5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.156 9.527 -4.840 1.00 0.00 H new ATOM 982 N PHE A 64 7.345 8.679 -2.010 1.00 0.00 N ATOM 983 CA PHE A 64 6.482 8.947 -0.865 1.00 0.00 C ATOM 984 C PHE A 64 6.733 10.347 -0.307 1.00 0.00 C ATOM 985 O PHE A 64 7.708 10.568 0.412 1.00 0.00 O ATOM 986 CB PHE A 64 6.710 7.899 0.226 1.00 0.00 C ATOM 987 CG PHE A 64 5.438 7.300 0.754 1.00 0.00 C ATOM 988 CD1 PHE A 64 4.562 8.060 1.512 1.00 0.00 C ATOM 989 CD2 PHE A 64 5.118 5.977 0.494 1.00 0.00 C ATOM 990 CE1 PHE A 64 3.390 7.512 1.999 1.00 0.00 C ATOM 991 CE2 PHE A 64 3.949 5.423 0.977 1.00 0.00 C ATOM 992 CZ PHE A 64 3.083 6.192 1.731 1.00 0.00 C ATOM 0 H PHE A 64 8.239 9.169 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 64 5.446 8.893 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.340 7.103 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.257 8.357 1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.797 9.092 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.792 5.371 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.715 8.115 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.712 4.391 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.168 5.762 2.110 1.00 0.00 H new ATOM 1002 N PRO A 65 5.856 11.314 -0.629 1.00 0.00 N ATOM 1003 CA PRO A 65 5.995 12.694 -0.153 1.00 0.00 C ATOM 1004 C PRO A 65 5.713 12.824 1.340 1.00 0.00 C ATOM 1005 O PRO A 65 4.566 12.714 1.777 1.00 0.00 O ATOM 1006 CB PRO A 65 4.945 13.458 -0.963 1.00 0.00 C ATOM 1007 CG PRO A 65 3.917 12.436 -1.306 1.00 0.00 C ATOM 1008 CD PRO A 65 4.663 11.142 -1.482 1.00 0.00 C ATOM 0 HA PRO A 65 7.010 13.069 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.514 14.274 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.380 13.899 -1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.171 12.352 -0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.386 12.708 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.064 10.287 -1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.935 10.974 -2.524 1.00 0.00 H new ATOM 1016 N GLU A 66 6.764 13.059 2.119 1.00 0.00 N ATOM 1017 CA GLU A 66 6.629 13.206 3.565 1.00 0.00 C ATOM 1018 C GLU A 66 6.845 14.656 3.986 1.00 0.00 C ATOM 1019 O GLU A 66 7.703 15.349 3.440 1.00 0.00 O ATOM 1020 CB GLU A 66 7.626 12.294 4.286 1.00 0.00 C ATOM 1021 CG GLU A 66 6.993 11.040 4.868 1.00 0.00 C ATOM 1022 CD GLU A 66 7.394 10.798 6.310 1.00 0.00 C ATOM 1023 OE1 GLU A 66 8.561 10.422 6.547 1.00 0.00 O ATOM 1024 OE2 GLU A 66 6.541 10.987 7.204 1.00 0.00 O ATOM 0 H GLU A 66 7.719 13.152 1.774 1.00 0.00 H new ATOM 0 HA GLU A 66 5.616 12.915 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.411 12.004 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.105 12.855 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.908 11.123 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.282 10.179 4.265 1.00 0.00 H new ATOM 1031 N LYS A 67 6.063 15.107 4.960 1.00 0.00 N ATOM 1032 CA LYS A 67 6.171 16.475 5.453 1.00 0.00 C ATOM 1033 C LYS A 67 6.131 16.508 6.981 1.00 0.00 C ATOM 1034 O LYS A 67 5.200 15.986 7.594 1.00 0.00 O ATOM 1035 CB LYS A 67 5.037 17.333 4.886 1.00 0.00 C ATOM 1036 CG LYS A 67 4.963 17.315 3.368 1.00 0.00 C ATOM 1037 CD LYS A 67 4.386 18.611 2.823 1.00 0.00 C ATOM 1038 CE LYS A 67 3.491 18.360 1.620 1.00 0.00 C ATOM 1039 NZ LYS A 67 3.642 19.420 0.585 1.00 0.00 N ATOM 0 H LYS A 67 5.348 14.546 5.423 1.00 0.00 H new ATOM 0 HA LYS A 67 7.127 16.880 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.088 16.982 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.167 18.361 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.960 17.158 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.348 16.476 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.815 19.113 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.198 19.281 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.732 17.390 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.451 18.315 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.015 19.212 -0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.388 20.342 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.628 19.447 0.257 1.00 0.00 H new ATOM 1053 N PRO A 68 7.144 17.124 7.622 1.00 0.00 N ATOM 1054 CA PRO A 68 7.209 17.215 9.085 1.00 0.00 C ATOM 1055 C PRO A 68 5.946 17.827 9.682 1.00 0.00 C ATOM 1056 O PRO A 68 5.263 18.622 9.036 1.00 0.00 O ATOM 1057 CB PRO A 68 8.413 18.128 9.335 1.00 0.00 C ATOM 1058 CG PRO A 68 9.256 17.989 8.115 1.00 0.00 C ATOM 1059 CD PRO A 68 8.299 17.775 6.976 1.00 0.00 C ATOM 0 HA PRO A 68 7.300 16.233 9.549 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.101 19.162 9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.959 17.827 10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.861 18.881 7.954 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.945 17.150 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.018 18.717 6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.733 17.146 6.199 1.00 0.00 H new ATOM 1067 N GLY A 69 5.642 17.450 10.920 1.00 0.00 N ATOM 1068 CA GLY A 69 4.462 17.971 11.585 1.00 0.00 C ATOM 1069 C GLY A 69 4.436 17.641 13.064 1.00 0.00 C ATOM 1070 O GLY A 69 3.669 16.785 13.503 1.00 0.00 O ATOM 0 H GLY A 69 6.192 16.793 11.474 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.424 19.053 11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.571 17.562 11.109 1.00 0.00 H new ATOM 1074 N VAL A 70 5.279 18.320 13.835 1.00 0.00 N ATOM 1075 CA VAL A 70 5.352 18.094 15.272 1.00 0.00 C ATOM 1076 C VAL A 70 4.402 19.026 16.024 1.00 0.00 C ATOM 1077 O VAL A 70 3.314 18.618 16.430 1.00 0.00 O ATOM 1078 CB VAL A 70 6.790 18.288 15.797 1.00 0.00 C ATOM 1079 CG1 VAL A 70 6.846 18.118 17.309 1.00 0.00 C ATOM 1080 CG2 VAL A 70 7.741 17.319 15.112 1.00 0.00 C ATOM 0 H VAL A 70 5.921 19.032 13.487 1.00 0.00 H new ATOM 0 HA VAL A 70 5.050 17.062 15.451 1.00 0.00 H new ATOM 0 HB VAL A 70 7.104 19.305 15.562 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.870 18.260 17.653 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.199 18.856 17.782 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.509 17.116 17.575 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.751 17.469 15.494 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.425 16.295 15.314 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.729 17.497 14.037 1.00 0.00 H new ATOM 1090 N LEU A 71 4.819 20.275 16.205 1.00 0.00 N ATOM 1091 CA LEU A 71 4.001 21.258 16.909 1.00 0.00 C ATOM 1092 C LEU A 71 3.228 22.128 15.923 1.00 0.00 C ATOM 1093 O LEU A 71 3.137 23.345 16.091 1.00 0.00 O ATOM 1094 CB LEU A 71 4.880 22.136 17.804 1.00 0.00 C ATOM 1095 CG LEU A 71 4.227 22.583 19.112 1.00 0.00 C ATOM 1096 CD1 LEU A 71 2.922 23.313 18.835 1.00 0.00 C ATOM 1097 CD2 LEU A 71 3.989 21.388 20.023 1.00 0.00 C ATOM 0 H LEU A 71 5.716 20.630 15.875 1.00 0.00 H new ATOM 0 HA LEU A 71 3.284 20.721 17.530 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.793 21.589 18.040 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.175 23.022 17.241 1.00 0.00 H new ATOM 0 HG LEU A 71 4.904 23.272 19.618 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.472 23.624 19.778 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.120 24.191 18.221 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.238 22.648 18.308 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.524 21.724 20.950 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.332 20.676 19.524 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.941 20.907 20.249 1.00 0.00 H new ATOM 1109 N ASP A 72 2.670 21.497 14.895 1.00 0.00 N ATOM 1110 CA ASP A 72 1.903 22.214 13.883 1.00 0.00 C ATOM 1111 C ASP A 72 0.410 22.154 14.188 1.00 0.00 C ATOM 1112 O ASP A 72 -0.137 21.082 14.449 1.00 0.00 O ATOM 1113 CB ASP A 72 2.176 21.628 12.496 1.00 0.00 C ATOM 1114 CG ASP A 72 3.603 21.859 12.042 1.00 0.00 C ATOM 1115 OD1 ASP A 72 4.478 22.061 12.911 1.00 0.00 O ATOM 1116 OD2 ASP A 72 3.847 21.839 10.817 1.00 0.00 O ATOM 0 H ASP A 72 2.735 20.491 14.741 1.00 0.00 H new ATOM 0 HA ASP A 72 2.217 23.258 13.897 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.971 20.558 12.510 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.491 22.074 11.775 1.00 0.00 H new ATOM 1121 N ARG A 73 -0.244 23.310 14.154 1.00 0.00 N ATOM 1122 CA ARG A 73 -1.675 23.389 14.428 1.00 0.00 C ATOM 1123 C ARG A 73 -2.440 23.841 13.190 1.00 0.00 C ATOM 1124 O ARG A 73 -3.532 23.346 12.906 1.00 0.00 O ATOM 1125 CB ARG A 73 -1.942 24.350 15.587 1.00 0.00 C ATOM 1126 CG ARG A 73 -1.325 23.902 16.902 1.00 0.00 C ATOM 1127 CD ARG A 73 -0.744 25.077 17.673 1.00 0.00 C ATOM 1128 NE ARG A 73 -1.782 25.996 18.134 1.00 0.00 N ATOM 1129 CZ ARG A 73 -1.532 27.160 18.728 1.00 0.00 C ATOM 1130 NH1 ARG A 73 -0.280 27.552 18.934 1.00 0.00 N ATOM 1131 NH2 ARG A 73 -2.534 27.935 19.116 1.00 0.00 N ATOM 0 H ARG A 73 0.194 24.206 13.939 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.023 22.394 14.705 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.552 25.335 15.329 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.019 24.458 15.718 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.081 23.405 17.509 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.541 23.170 16.707 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.182 24.706 18.530 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.040 25.615 17.038 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.756 25.729 17.992 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.495 26.960 18.636 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.094 28.445 19.390 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.498 27.639 18.959 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.342 28.827 19.571 1.00 0.00 H new ATOM 1145 N ARG A 74 -1.861 24.784 12.458 1.00 0.00 N ATOM 1146 CA ARG A 74 -2.485 25.306 11.247 1.00 0.00 C ATOM 1147 C ARG A 74 -1.681 24.914 10.013 1.00 0.00 C ATOM 1148 O ARG A 74 -2.244 24.636 8.954 1.00 0.00 O ATOM 1149 CB ARG A 74 -2.611 26.832 11.322 1.00 0.00 C ATOM 1150 CG ARG A 74 -2.871 27.358 12.724 1.00 0.00 C ATOM 1151 CD ARG A 74 -3.612 28.685 12.694 1.00 0.00 C ATOM 1152 NE ARG A 74 -5.003 28.528 12.276 1.00 0.00 N ATOM 1153 CZ ARG A 74 -5.949 29.440 12.490 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -5.658 30.575 13.113 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -7.189 29.218 12.077 1.00 0.00 N ATOM 0 H ARG A 74 -0.959 25.204 12.681 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.482 24.872 11.168 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.695 27.282 10.939 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.421 27.153 10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.454 26.628 13.285 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.924 27.481 13.249 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.581 29.140 13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.104 29.368 12.013 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.265 27.669 11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.705 30.753 13.431 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.387 31.270 13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.418 28.349 11.595 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.914 29.917 12.241 1.00 0.00 H new ATOM 1169 N TRP A 75 -0.360 24.893 10.159 1.00 0.00 N ATOM 1170 CA TRP A 75 0.526 24.534 9.058 1.00 0.00 C ATOM 1171 C TRP A 75 0.265 23.105 8.593 1.00 0.00 C ATOM 1172 O TRP A 75 0.275 22.820 7.396 1.00 0.00 O ATOM 1173 CB TRP A 75 1.988 24.686 9.481 1.00 0.00 C ATOM 1174 CG TRP A 75 2.273 25.977 10.185 1.00 0.00 C ATOM 1175 CD1 TRP A 75 2.469 26.155 11.524 1.00 0.00 C ATOM 1176 CD2 TRP A 75 2.395 27.271 9.584 1.00 0.00 C ATOM 1177 NE1 TRP A 75 2.704 27.482 11.793 1.00 0.00 N ATOM 1178 CE2 TRP A 75 2.664 28.188 10.620 1.00 0.00 C ATOM 1179 CE3 TRP A 75 2.301 27.745 8.273 1.00 0.00 C ATOM 1180 CZ2 TRP A 75 2.843 29.548 10.382 1.00 0.00 C ATOM 1181 CZ3 TRP A 75 2.478 29.097 8.039 1.00 0.00 C ATOM 1182 CH2 TRP A 75 2.746 29.984 9.089 1.00 0.00 C ATOM 0 H TRP A 75 0.120 25.121 11.030 1.00 0.00 H new ATOM 0 HA TRP A 75 0.324 25.210 8.227 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.257 23.857 10.135 1.00 0.00 H new ATOM 0 HB3 TRP A 75 2.623 24.614 8.598 1.00 0.00 H new ATOM 0 HD1 TRP A 75 2.443 25.368 12.264 1.00 0.00 H new ATOM 0 HE1 TRP A 75 2.880 27.877 12.717 1.00 0.00 H new ATOM 0 HE3 TRP A 75 2.094 27.068 7.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 3.051 30.234 11.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.408 29.475 7.030 1.00 0.00 H new ATOM 0 HH2 TRP A 75 2.879 31.034 8.874 1.00 0.00 H new ATOM 1193 N GLN A 76 0.033 22.210 9.549 1.00 0.00 N ATOM 1194 CA GLN A 76 -0.230 20.810 9.238 1.00 0.00 C ATOM 1195 C GLN A 76 -1.535 20.661 8.459 1.00 0.00 C ATOM 1196 O GLN A 76 -2.329 21.597 8.373 1.00 0.00 O ATOM 1197 CB GLN A 76 -0.293 19.984 10.523 1.00 0.00 C ATOM 1198 CG GLN A 76 -1.318 20.491 11.523 1.00 0.00 C ATOM 1199 CD GLN A 76 -2.128 19.370 12.147 1.00 0.00 C ATOM 1200 OE1 GLN A 76 -2.974 18.761 11.493 1.00 0.00 O ATOM 1201 NE2 GLN A 76 -1.871 19.093 13.420 1.00 0.00 N ATOM 0 H GLN A 76 0.022 22.430 10.545 1.00 0.00 H new ATOM 0 HA GLN A 76 0.587 20.442 8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.526 18.950 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.691 19.983 10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.808 21.047 12.310 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.992 21.188 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.161 19.624 13.924 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.384 18.349 13.894 1.00 0.00 H new ATOM 1210 N ARG A 77 -1.747 19.477 7.893 1.00 0.00 N ATOM 1211 CA ARG A 77 -2.955 19.204 7.121 1.00 0.00 C ATOM 1212 C ARG A 77 -3.881 18.259 7.877 1.00 0.00 C ATOM 1213 O ARG A 77 -3.425 17.355 8.578 1.00 0.00 O ATOM 1214 CB ARG A 77 -2.593 18.603 5.761 1.00 0.00 C ATOM 1215 CG ARG A 77 -1.387 19.256 5.105 1.00 0.00 C ATOM 1216 CD ARG A 77 -0.087 18.603 5.545 1.00 0.00 C ATOM 1217 NE ARG A 77 0.546 17.858 4.460 1.00 0.00 N ATOM 1218 CZ ARG A 77 1.462 16.910 4.646 1.00 0.00 C ATOM 1219 NH1 ARG A 77 1.854 16.587 5.873 1.00 0.00 N ATOM 1220 NH2 ARG A 77 1.987 16.282 3.603 1.00 0.00 N ATOM 0 H ARG A 77 -1.099 18.692 7.954 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.477 20.148 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.396 17.538 5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.451 18.692 5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.480 19.187 4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.365 20.316 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.599 19.369 5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.284 17.931 6.380 1.00 0.00 H new ATOM 0 HE ARG A 77 0.270 18.077 3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.453 17.066 6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.556 15.860 6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.689 16.525 2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.689 15.556 3.745 1.00 0.00 H new ATOM 1234 N ARG A 78 -5.185 18.471 7.729 1.00 0.00 N ATOM 1235 CA ARG A 78 -6.176 17.634 8.397 1.00 0.00 C ATOM 1236 C ARG A 78 -6.217 16.242 7.775 1.00 0.00 C ATOM 1237 O ARG A 78 -6.509 16.091 6.588 1.00 0.00 O ATOM 1238 CB ARG A 78 -7.559 18.285 8.320 1.00 0.00 C ATOM 1239 CG ARG A 78 -8.283 18.334 9.656 1.00 0.00 C ATOM 1240 CD ARG A 78 -8.138 19.695 10.319 1.00 0.00 C ATOM 1241 NE ARG A 78 -8.446 19.644 11.746 1.00 0.00 N ATOM 1242 CZ ARG A 78 -9.683 19.630 12.238 1.00 0.00 C ATOM 1243 NH1 ARG A 78 -10.729 19.663 11.421 1.00 0.00 N ATOM 1244 NH2 ARG A 78 -9.875 19.584 13.549 1.00 0.00 N ATOM 0 H ARG A 78 -5.580 19.214 7.153 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.889 17.535 9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.453 19.300 7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.171 17.736 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.340 18.112 9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.885 17.563 10.315 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.120 20.059 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.801 20.409 9.830 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.667 19.618 12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.587 19.699 10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.675 19.652 11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.075 19.559 14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.823 19.573 13.926 1.00 0.00 H new ATOM 1258 N TYR A 79 -5.923 15.228 8.583 1.00 0.00 N ATOM 1259 CA TYR A 79 -5.926 13.848 8.110 1.00 0.00 C ATOM 1260 C TYR A 79 -7.272 13.480 7.488 1.00 0.00 C ATOM 1261 O TYR A 79 -7.351 12.594 6.637 1.00 0.00 O ATOM 1262 CB TYR A 79 -5.599 12.891 9.261 1.00 0.00 C ATOM 1263 CG TYR A 79 -6.687 12.797 10.307 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -6.838 13.784 11.272 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -7.562 11.719 10.329 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -7.830 13.699 12.231 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -8.557 11.626 11.284 1.00 0.00 C ATOM 1268 CZ TYR A 79 -8.687 12.619 12.232 1.00 0.00 C ATOM 1269 OH TYR A 79 -9.677 12.532 13.183 1.00 0.00 O ATOM 0 H TYR A 79 -5.680 15.336 9.568 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.160 13.755 7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.414 11.897 8.853 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.675 13.216 9.740 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.169 14.632 11.273 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.463 10.940 9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.933 14.475 12.976 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.229 10.780 11.288 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.486 11.784 13.787 1.00 0.00 H new ATOM 1279 N ASP A 80 -8.327 14.167 7.917 1.00 0.00 N ATOM 1280 CA ASP A 80 -9.665 13.910 7.400 1.00 0.00 C ATOM 1281 C ASP A 80 -10.079 14.989 6.403 1.00 0.00 C ATOM 1282 O ASP A 80 -11.258 15.324 6.290 1.00 0.00 O ATOM 1283 CB ASP A 80 -10.675 13.844 8.548 1.00 0.00 C ATOM 1284 CG ASP A 80 -10.741 15.137 9.335 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -11.102 16.176 8.742 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -10.435 15.112 10.546 1.00 0.00 O ATOM 0 H ASP A 80 -8.280 14.904 8.620 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.650 12.950 6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.662 13.615 8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.406 13.027 9.218 1.00 0.00 H new ATOM 1291 N ASP A 81 -9.100 15.527 5.682 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.360 16.567 4.692 1.00 0.00 C ATOM 1293 C ASP A 81 -9.536 15.960 3.300 1.00 0.00 C ATOM 1294 O ASP A 81 -8.604 15.373 2.751 1.00 0.00 O ATOM 1295 CB ASP A 81 -8.214 17.580 4.676 1.00 0.00 C ATOM 1296 CG ASP A 81 -8.662 18.951 4.208 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -9.723 19.039 3.555 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -7.950 19.937 4.493 1.00 0.00 O ATOM 0 H ASP A 81 -8.119 15.260 5.765 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.284 17.076 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.790 17.661 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.421 17.217 4.022 1.00 0.00 H new ATOM 1303 N PRO A 82 -10.738 16.091 2.705 1.00 0.00 N ATOM 1304 CA PRO A 82 -11.019 15.548 1.371 1.00 0.00 C ATOM 1305 C PRO A 82 -9.985 15.982 0.338 1.00 0.00 C ATOM 1306 O PRO A 82 -9.652 15.228 -0.576 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.392 16.129 1.031 1.00 0.00 C ATOM 1308 CG PRO A 82 -13.030 16.391 2.351 1.00 0.00 C ATOM 1309 CD PRO A 82 -11.912 16.774 3.281 1.00 0.00 C ATOM 0 HA PRO A 82 -10.989 14.458 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.301 17.045 0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.982 15.430 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.767 17.190 2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.554 15.507 2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.771 17.854 3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.108 16.445 4.301 1.00 0.00 H new ATOM 1317 N GLU A 83 -9.480 17.203 0.488 1.00 0.00 N ATOM 1318 CA GLU A 83 -8.483 17.735 -0.435 1.00 0.00 C ATOM 1319 C GLU A 83 -7.250 16.838 -0.479 1.00 0.00 C ATOM 1320 O GLU A 83 -6.820 16.409 -1.549 1.00 0.00 O ATOM 1321 CB GLU A 83 -8.082 19.154 -0.024 1.00 0.00 C ATOM 1322 CG GLU A 83 -8.951 20.235 -0.646 1.00 0.00 C ATOM 1323 CD GLU A 83 -8.727 21.596 -0.019 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -7.612 21.838 0.490 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -9.665 22.420 -0.035 1.00 0.00 O ATOM 0 H GLU A 83 -9.744 17.841 1.238 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.925 17.764 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.134 19.237 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.044 19.326 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.743 20.293 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.000 19.958 -0.540 1.00 0.00 H new ATOM 1332 N MET A 84 -6.691 16.553 0.693 1.00 0.00 N ATOM 1333 CA MET A 84 -5.512 15.701 0.790 1.00 0.00 C ATOM 1334 C MET A 84 -5.875 14.246 0.516 1.00 0.00 C ATOM 1335 O MET A 84 -5.091 13.497 -0.064 1.00 0.00 O ATOM 1336 CB MET A 84 -4.877 15.831 2.176 1.00 0.00 C ATOM 1337 CG MET A 84 -3.636 14.973 2.363 1.00 0.00 C ATOM 1338 SD MET A 84 -3.498 14.303 4.032 1.00 0.00 S ATOM 1339 CE MET A 84 -5.073 13.464 4.192 1.00 0.00 C ATOM 0 H MET A 84 -7.036 16.900 1.588 1.00 0.00 H new ATOM 0 HA MET A 84 -4.792 16.026 0.039 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.616 16.875 2.350 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.614 15.557 2.931 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.656 14.152 1.647 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.751 15.569 2.141 1.00 0.00 H new ATOM 0 HE1 MET A 84 -4.944 12.559 4.786 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.788 14.123 4.685 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.446 13.199 3.203 1.00 0.00 H new ATOM 1349 N ILE A 85 -7.074 13.855 0.938 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.547 12.491 0.740 1.00 0.00 C ATOM 1351 C ILE A 85 -7.695 12.176 -0.747 1.00 0.00 C ATOM 1352 O ILE A 85 -7.452 11.049 -1.179 1.00 0.00 O ATOM 1353 CB ILE A 85 -8.898 12.262 1.458 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.689 12.234 2.973 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.557 10.972 0.989 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.794 12.918 3.748 1.00 0.00 C ATOM 0 H ILE A 85 -7.735 14.465 1.419 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.803 11.821 1.171 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.563 13.088 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.613 11.198 3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.739 12.714 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.505 10.837 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.738 11.025 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.901 10.129 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.580 12.860 4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.856 13.964 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.743 12.424 3.541 1.00 0.00 H new ATOM 1368 N ASP A 86 -8.096 13.176 -1.524 1.00 0.00 N ATOM 1369 CA ASP A 86 -8.278 13.005 -2.962 1.00 0.00 C ATOM 1370 C ASP A 86 -7.008 12.464 -3.615 1.00 0.00 C ATOM 1371 O ASP A 86 -7.006 11.366 -4.173 1.00 0.00 O ATOM 1372 CB ASP A 86 -8.675 14.333 -3.610 1.00 0.00 C ATOM 1373 CG ASP A 86 -9.869 14.192 -4.533 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -9.686 13.709 -5.671 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -10.988 14.563 -4.118 1.00 0.00 O ATOM 0 H ASP A 86 -8.302 14.115 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.078 12.281 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.905 15.060 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.829 14.727 -4.173 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.930 13.238 -3.539 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.656 12.831 -4.123 1.00 0.00 C ATOM 1382 C GLU A 87 -4.165 11.532 -3.496 1.00 0.00 C ATOM 1383 O GLU A 87 -3.671 10.644 -4.191 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.610 13.933 -3.939 1.00 0.00 C ATOM 1385 CG GLU A 87 -3.485 14.858 -5.138 1.00 0.00 C ATOM 1386 CD GLU A 87 -2.891 16.206 -4.777 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -1.647 16.312 -4.730 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -3.669 17.154 -4.539 1.00 0.00 O ATOM 0 H GLU A 87 -5.913 14.149 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.808 12.664 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.867 14.524 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.641 13.474 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.862 14.382 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.470 15.006 -5.582 1.00 0.00 H new ATOM 1395 N ARG A 88 -4.308 11.423 -2.180 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.883 10.224 -1.464 1.00 0.00 C ATOM 1397 C ARG A 88 -4.584 8.987 -2.020 1.00 0.00 C ATOM 1398 O ARG A 88 -4.091 7.867 -1.882 1.00 0.00 O ATOM 1399 CB ARG A 88 -4.175 10.366 0.031 1.00 0.00 C ATOM 1400 CG ARG A 88 -2.942 10.668 0.867 1.00 0.00 C ATOM 1401 CD ARG A 88 -2.265 11.953 0.418 1.00 0.00 C ATOM 1402 NE ARG A 88 -1.309 12.442 1.408 1.00 0.00 N ATOM 1403 CZ ARG A 88 -0.780 13.664 1.388 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -1.113 14.523 0.433 1.00 0.00 N ATOM 1405 NH2 ARG A 88 0.083 14.028 2.327 1.00 0.00 N ATOM 0 H ARG A 88 -4.714 12.148 -1.588 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.809 10.105 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.905 11.162 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.632 9.445 0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.224 10.752 1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.238 9.839 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.751 11.781 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.021 12.717 0.236 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.030 11.810 2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.777 14.249 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.705 15.458 0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.341 13.372 3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.488 14.964 2.312 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.737 9.198 -2.651 1.00 0.00 N ATOM 1420 CA ARG A 89 -6.505 8.102 -3.228 1.00 0.00 C ATOM 1421 C ARG A 89 -5.724 7.420 -4.346 1.00 0.00 C ATOM 1422 O ARG A 89 -5.821 6.206 -4.532 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.842 8.616 -3.765 1.00 0.00 C ATOM 1424 CG ARG A 89 -8.932 7.556 -3.799 1.00 0.00 C ATOM 1425 CD ARG A 89 -10.165 7.986 -3.017 1.00 0.00 C ATOM 1426 NE ARG A 89 -11.387 7.854 -3.807 1.00 0.00 N ATOM 1427 CZ ARG A 89 -11.772 8.735 -4.728 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -11.034 9.808 -4.979 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -12.898 8.539 -5.400 1.00 0.00 N ATOM 0 H ARG A 89 -6.158 10.119 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.694 7.371 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.176 9.449 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.694 9.006 -4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.210 7.354 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.546 6.625 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.250 7.382 -2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.049 9.022 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.979 7.040 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.166 9.962 -4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.334 10.479 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.468 7.714 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.195 9.213 -6.106 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.945 8.203 -5.087 1.00 0.00 N ATOM 1444 CA ILE A 90 -4.144 7.664 -6.182 1.00 0.00 C ATOM 1445 C ILE A 90 -2.666 7.624 -5.812 1.00 0.00 C ATOM 1446 O ILE A 90 -2.184 8.459 -5.047 1.00 0.00 O ATOM 1447 CB ILE A 90 -4.313 8.475 -7.486 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -4.483 9.971 -7.185 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -5.490 7.944 -8.293 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -5.890 10.366 -6.786 1.00 0.00 C ATOM 0 H ILE A 90 -4.851 9.209 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.508 6.651 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.408 8.357 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.798 10.250 -6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.193 10.543 -8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.596 8.526 -9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.315 6.898 -8.546 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.403 8.027 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.925 11.438 -6.591 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.580 10.121 -7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.179 9.823 -5.886 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.953 6.646 -6.358 1.00 0.00 N ATOM 1463 CA GLY A 91 -0.536 6.509 -6.074 1.00 0.00 C ATOM 1464 C GLY A 91 -0.223 5.242 -5.302 1.00 0.00 C ATOM 1465 O GLY A 91 0.811 4.612 -5.523 1.00 0.00 O ATOM 0 H GLY A 91 -2.331 5.944 -6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.021 6.508 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.197 7.373 -5.502 1.00 0.00 H new ATOM 1469 N LEU A 92 -1.119 4.870 -4.393 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.934 3.671 -3.584 1.00 0.00 C ATOM 1471 C LEU A 92 -1.142 2.412 -4.421 1.00 0.00 C ATOM 1472 O LEU A 92 -0.428 1.423 -4.262 1.00 0.00 O ATOM 1473 CB LEU A 92 -1.904 3.675 -2.400 1.00 0.00 C ATOM 1474 CG LEU A 92 -1.833 4.916 -1.509 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.061 5.003 -0.616 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.561 4.900 -0.673 1.00 0.00 C ATOM 0 H LEU A 92 -1.980 5.382 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 92 0.089 3.671 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.920 3.579 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.709 2.795 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.812 5.799 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.993 5.892 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.957 5.063 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.115 4.117 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.527 5.790 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.551 4.011 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.307 4.887 -1.332 1.00 0.00 H new ATOM 1488 N GLU A 93 -2.127 2.456 -5.315 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.429 1.320 -6.178 1.00 0.00 C ATOM 1490 C GLU A 93 -1.212 0.926 -7.009 1.00 0.00 C ATOM 1491 O GLU A 93 -0.946 -0.258 -7.216 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.605 1.651 -7.100 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.395 2.909 -7.927 1.00 0.00 C ATOM 1494 CD GLU A 93 -4.699 3.590 -8.292 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -5.287 4.256 -7.415 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -5.132 3.458 -9.457 1.00 0.00 O ATOM 0 H GLU A 93 -2.729 3.267 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.700 0.477 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.777 0.810 -7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.506 1.768 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.769 3.606 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.855 2.654 -8.839 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.475 1.926 -7.481 1.00 0.00 N ATOM 1504 CA ARG A 94 0.715 1.684 -8.288 1.00 0.00 C ATOM 1505 C ARG A 94 1.829 1.074 -7.442 1.00 0.00 C ATOM 1506 O ARG A 94 2.592 0.232 -7.915 1.00 0.00 O ATOM 1507 CB ARG A 94 1.197 2.988 -8.925 1.00 0.00 C ATOM 1508 CG ARG A 94 0.121 3.708 -9.722 1.00 0.00 C ATOM 1509 CD ARG A 94 0.355 5.210 -9.744 1.00 0.00 C ATOM 1510 NE ARG A 94 1.605 5.560 -10.413 1.00 0.00 N ATOM 1511 CZ ARG A 94 2.226 6.727 -10.264 1.00 0.00 C ATOM 1512 NH1 ARG A 94 1.716 7.661 -9.469 1.00 0.00 N ATOM 1513 NH2 ARG A 94 3.360 6.962 -10.908 1.00 0.00 N ATOM 0 H ARG A 94 -0.681 2.912 -7.318 1.00 0.00 H new ATOM 0 HA ARG A 94 0.454 0.978 -9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.563 3.652 -8.142 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.041 2.773 -9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.106 3.326 -10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.857 3.497 -9.288 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.477 5.699 -10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.372 5.589 -8.722 1.00 0.00 H new ATOM 0 HE ARG A 94 2.027 4.868 -11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.844 7.485 -8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.196 8.554 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.757 6.248 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.836 7.857 -10.793 1.00 0.00 H new ATOM 1527 N PHE A 95 1.912 1.503 -6.187 1.00 0.00 N ATOM 1528 CA PHE A 95 2.928 0.999 -5.270 1.00 0.00 C ATOM 1529 C PHE A 95 2.810 -0.514 -5.107 1.00 0.00 C ATOM 1530 O PHE A 95 3.804 -1.204 -4.885 1.00 0.00 O ATOM 1531 CB PHE A 95 2.797 1.686 -3.908 1.00 0.00 C ATOM 1532 CG PHE A 95 3.801 1.220 -2.891 1.00 0.00 C ATOM 1533 CD1 PHE A 95 3.679 -0.027 -2.299 1.00 0.00 C ATOM 1534 CD2 PHE A 95 4.862 2.032 -2.521 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.598 -0.458 -1.360 1.00 0.00 C ATOM 1536 CE2 PHE A 95 5.784 1.607 -1.582 1.00 0.00 C ATOM 1537 CZ PHE A 95 5.651 0.361 -1.002 1.00 0.00 C ATOM 0 H PHE A 95 1.287 2.199 -5.781 1.00 0.00 H new ATOM 0 HA PHE A 95 3.909 1.224 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.904 2.762 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.794 1.512 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.856 -0.670 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.970 3.008 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.493 -1.433 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.607 2.249 -1.303 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.370 0.027 -0.269 1.00 0.00 H new ATOM 1547 N LEU A 96 1.586 -1.021 -5.214 1.00 0.00 N ATOM 1548 CA LEU A 96 1.335 -2.452 -5.075 1.00 0.00 C ATOM 1549 C LEU A 96 1.490 -3.175 -6.409 1.00 0.00 C ATOM 1550 O LEU A 96 1.940 -4.318 -6.457 1.00 0.00 O ATOM 1551 CB LEU A 96 -0.068 -2.692 -4.515 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.416 -1.884 -3.265 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.884 -2.058 -2.908 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.470 -2.296 -2.100 1.00 0.00 C ATOM 0 H LEU A 96 0.752 -0.463 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 96 2.074 -2.853 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.797 -2.461 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.173 -3.752 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.237 -0.830 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.113 -1.475 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.503 -1.712 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.089 -3.111 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.208 -1.710 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.324 -3.355 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.514 -2.118 -2.356 1.00 0.00 H new ATOM 1566 N ASN A 97 1.104 -2.507 -7.492 1.00 0.00 N ATOM 1567 CA ASN A 97 1.191 -3.095 -8.825 1.00 0.00 C ATOM 1568 C ASN A 97 2.622 -3.509 -9.162 1.00 0.00 C ATOM 1569 O ASN A 97 2.893 -4.682 -9.415 1.00 0.00 O ATOM 1570 CB ASN A 97 0.678 -2.104 -9.872 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.828 -1.938 -9.821 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -1.558 -2.877 -9.498 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.303 -0.739 -10.140 1.00 0.00 N ATOM 0 H ASN A 97 0.728 -1.559 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 97 0.569 -3.990 -8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.153 -1.136 -9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.970 -2.445 -10.865 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.308 -0.568 -10.123 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.662 0.010 -10.402 1.00 0.00 H new ATOM 1580 N GLU A 98 3.530 -2.540 -9.174 1.00 0.00 N ATOM 1581 CA GLU A 98 4.931 -2.806 -9.491 1.00 0.00 C ATOM 1582 C GLU A 98 5.542 -3.818 -8.524 1.00 0.00 C ATOM 1583 O GLU A 98 6.536 -4.470 -8.843 1.00 0.00 O ATOM 1584 CB GLU A 98 5.735 -1.504 -9.463 1.00 0.00 C ATOM 1585 CG GLU A 98 7.217 -1.692 -9.752 1.00 0.00 C ATOM 1586 CD GLU A 98 7.690 -0.878 -10.941 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.066 0.163 -11.233 1.00 0.00 O ATOM 1588 OE2 GLU A 98 8.683 -1.282 -11.580 1.00 0.00 O ATOM 0 H GLU A 98 3.323 -1.563 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 98 4.970 -3.233 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.316 -0.813 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.621 -1.038 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.793 -1.409 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.416 -2.748 -9.938 1.00 0.00 H new ATOM 1595 N LEU A 99 4.948 -3.944 -7.341 1.00 0.00 N ATOM 1596 CA LEU A 99 5.446 -4.875 -6.334 1.00 0.00 C ATOM 1597 C LEU A 99 4.853 -6.269 -6.522 1.00 0.00 C ATOM 1598 O LEU A 99 5.582 -7.252 -6.648 1.00 0.00 O ATOM 1599 CB LEU A 99 5.120 -4.361 -4.934 1.00 0.00 C ATOM 1600 CG LEU A 99 5.942 -4.996 -3.811 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.383 -3.943 -2.810 1.00 0.00 C ATOM 1602 CD2 LEU A 99 5.144 -6.091 -3.123 1.00 0.00 C ATOM 0 H LEU A 99 4.124 -3.415 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 99 6.527 -4.946 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.274 -3.282 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.063 -4.536 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 99 6.834 -5.444 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.966 -4.415 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.994 -3.195 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.506 -3.463 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.743 -6.532 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.234 -5.666 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.882 -6.861 -3.849 1.00 0.00 H new ATOM 1614 N TYR A 100 3.528 -6.345 -6.526 1.00 0.00 N ATOM 1615 CA TYR A 100 2.830 -7.616 -6.682 1.00 0.00 C ATOM 1616 C TYR A 100 3.051 -8.210 -8.071 1.00 0.00 C ATOM 1617 O TYR A 100 2.998 -9.427 -8.248 1.00 0.00 O ATOM 1618 CB TYR A 100 1.333 -7.431 -6.423 1.00 0.00 C ATOM 1619 CG TYR A 100 0.974 -7.318 -4.955 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.913 -6.910 -4.014 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.307 -7.621 -4.511 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.587 -6.807 -2.676 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.642 -7.521 -3.173 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.308 -7.114 -2.261 1.00 0.00 C ATOM 1625 OH TYR A 100 -0.020 -7.013 -0.929 1.00 0.00 O ATOM 0 H TYR A 100 2.913 -5.538 -6.423 1.00 0.00 H new ATOM 0 HA TYR A 100 3.240 -8.313 -5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.993 -6.534 -6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.792 -8.273 -6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.916 -6.669 -4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.054 -7.940 -5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.329 -6.488 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.643 -7.761 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 100 0.522 -6.311 -0.511 1.00 0.00 H new ATOM 1635 N ASN A 101 3.297 -7.349 -9.053 1.00 0.00 N ATOM 1636 CA ASN A 101 3.523 -7.803 -10.420 1.00 0.00 C ATOM 1637 C ASN A 101 4.986 -8.179 -10.635 1.00 0.00 C ATOM 1638 O ASN A 101 5.659 -7.632 -11.510 1.00 0.00 O ATOM 1639 CB ASN A 101 3.106 -6.721 -11.418 1.00 0.00 C ATOM 1640 CG ASN A 101 2.615 -7.304 -12.729 1.00 0.00 C ATOM 1641 OD1 ASN A 101 3.409 -7.683 -13.589 1.00 0.00 O ATOM 1642 ND2 ASN A 101 1.299 -7.379 -12.886 1.00 0.00 N ATOM 0 H ASN A 101 3.345 -6.338 -8.929 1.00 0.00 H new ATOM 0 HA ASN A 101 2.912 -8.691 -10.586 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.319 -6.108 -10.978 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.953 -6.062 -11.611 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.909 -7.763 -13.747 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.678 -7.053 -12.146 1.00 0.00 H new ATOM 1649 N ASP A 102 5.471 -9.118 -9.830 1.00 0.00 N ATOM 1650 CA ASP A 102 6.853 -9.573 -9.930 1.00 0.00 C ATOM 1651 C ASP A 102 6.934 -11.092 -9.808 1.00 0.00 C ATOM 1652 O ASP A 102 6.503 -11.668 -8.810 1.00 0.00 O ATOM 1653 CB ASP A 102 7.707 -8.915 -8.843 1.00 0.00 C ATOM 1654 CG ASP A 102 8.395 -7.655 -9.332 1.00 0.00 C ATOM 1655 OD1 ASP A 102 8.895 -7.659 -10.477 1.00 0.00 O ATOM 1656 OD2 ASP A 102 8.432 -6.666 -8.572 1.00 0.00 O ATOM 0 H ASP A 102 4.927 -9.579 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 102 7.237 -9.284 -10.908 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.077 -8.673 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.458 -9.624 -8.496 1.00 0.00 H new ATOM 1661 N ARG A 103 7.489 -11.734 -10.831 1.00 0.00 N ATOM 1662 CA ARG A 103 7.625 -13.186 -10.838 1.00 0.00 C ATOM 1663 C ARG A 103 9.087 -13.602 -10.713 1.00 0.00 C ATOM 1664 O ARG A 103 9.397 -14.657 -10.159 1.00 0.00 O ATOM 1665 CB ARG A 103 7.025 -13.770 -12.119 1.00 0.00 C ATOM 1666 CG ARG A 103 7.685 -13.256 -13.391 1.00 0.00 C ATOM 1667 CD ARG A 103 6.757 -12.345 -14.179 1.00 0.00 C ATOM 1668 NE ARG A 103 7.235 -10.964 -14.199 1.00 0.00 N ATOM 1669 CZ ARG A 103 6.823 -10.049 -15.075 1.00 0.00 C ATOM 1670 NH1 ARG A 103 5.929 -10.365 -16.004 1.00 0.00 N ATOM 1671 NH2 ARG A 103 7.308 -8.817 -15.023 1.00 0.00 N ATOM 0 H ARG A 103 7.851 -11.272 -11.665 1.00 0.00 H new ATOM 0 HA ARG A 103 7.082 -13.577 -9.978 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.111 -14.856 -12.088 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.961 -13.536 -12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 103 8.595 -12.714 -13.135 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.981 -14.100 -14.014 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.669 -12.713 -15.201 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.759 -12.377 -13.741 1.00 0.00 H new ATOM 0 HE ARG A 103 7.925 -10.684 -13.501 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.554 -11.312 -16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.617 -9.660 -16.672 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.997 -8.570 -14.312 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.993 -8.116 -15.694 1.00 0.00 H new ATOM 1685 N PHE A 104 9.983 -12.766 -11.229 1.00 0.00 N ATOM 1686 CA PHE A 104 11.413 -13.050 -11.171 1.00 0.00 C ATOM 1687 C PHE A 104 11.976 -12.718 -9.793 1.00 0.00 C ATOM 1688 O PHE A 104 12.740 -13.494 -9.219 1.00 0.00 O ATOM 1689 CB PHE A 104 12.157 -12.254 -12.245 1.00 0.00 C ATOM 1690 CG PHE A 104 11.610 -12.456 -13.629 1.00 0.00 C ATOM 1691 CD1 PHE A 104 11.771 -13.668 -14.281 1.00 0.00 C ATOM 1692 CD2 PHE A 104 10.935 -11.434 -14.277 1.00 0.00 C ATOM 1693 CE1 PHE A 104 11.268 -13.857 -15.554 1.00 0.00 C ATOM 1694 CE2 PHE A 104 10.430 -11.618 -15.550 1.00 0.00 C ATOM 1695 CZ PHE A 104 10.598 -12.830 -16.190 1.00 0.00 C ATOM 0 H PHE A 104 9.745 -11.888 -11.691 1.00 0.00 H new ATOM 0 HA PHE A 104 11.555 -14.115 -11.356 1.00 0.00 H new ATOM 0 HB2 PHE A 104 12.112 -11.194 -11.996 1.00 0.00 H new ATOM 0 HB3 PHE A 104 13.209 -12.539 -12.234 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.295 -14.474 -13.789 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.802 -10.483 -13.782 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.399 -14.807 -16.051 1.00 0.00 H new ATOM 0 HE2 PHE A 104 9.904 -10.814 -16.044 1.00 0.00 H new ATOM 0 HZ PHE A 104 10.206 -12.975 -17.186 1.00 0.00 H new ATOM 1705 N ASP A 105 11.589 -11.561 -9.267 1.00 0.00 N ATOM 1706 CA ASP A 105 12.050 -11.123 -7.955 1.00 0.00 C ATOM 1707 C ASP A 105 10.875 -10.698 -7.085 1.00 0.00 C ATOM 1708 O ASP A 105 10.318 -9.614 -7.261 1.00 0.00 O ATOM 1709 CB ASP A 105 13.039 -9.966 -8.096 1.00 0.00 C ATOM 1710 CG ASP A 105 14.190 -10.297 -9.024 1.00 0.00 C ATOM 1711 OD1 ASP A 105 15.151 -10.954 -8.568 1.00 0.00 O ATOM 1712 OD2 ASP A 105 14.133 -9.901 -10.207 1.00 0.00 O ATOM 0 H ASP A 105 10.956 -10.909 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 105 12.553 -11.962 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.514 -9.088 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.432 -9.706 -7.113 1.00 0.00 H new ATOM 1717 N SER A 106 10.500 -11.559 -6.146 1.00 0.00 N ATOM 1718 CA SER A 106 9.387 -11.274 -5.250 1.00 0.00 C ATOM 1719 C SER A 106 9.871 -11.090 -3.816 1.00 0.00 C ATOM 1720 O SER A 106 9.140 -11.363 -2.866 1.00 0.00 O ATOM 1721 CB SER A 106 8.355 -12.401 -5.306 1.00 0.00 C ATOM 1722 OG SER A 106 8.984 -13.664 -5.432 1.00 0.00 O ATOM 0 H SER A 106 10.951 -12.460 -5.986 1.00 0.00 H new ATOM 0 HA SER A 106 8.922 -10.345 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.744 -12.384 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.683 -12.241 -6.149 1.00 0.00 H new ATOM 0 HG SER A 106 9.086 -14.069 -4.545 1.00 0.00 H new ATOM 1728 N ARG A 107 11.104 -10.621 -3.665 1.00 0.00 N ATOM 1729 CA ARG A 107 11.672 -10.398 -2.341 1.00 0.00 C ATOM 1730 C ARG A 107 10.880 -9.333 -1.591 1.00 0.00 C ATOM 1731 O ARG A 107 10.766 -9.373 -0.366 1.00 0.00 O ATOM 1732 CB ARG A 107 13.137 -9.975 -2.454 1.00 0.00 C ATOM 1733 CG ARG A 107 13.960 -10.876 -3.361 1.00 0.00 C ATOM 1734 CD ARG A 107 14.961 -10.074 -4.174 1.00 0.00 C ATOM 1735 NE ARG A 107 15.679 -9.105 -3.350 1.00 0.00 N ATOM 1736 CZ ARG A 107 16.825 -9.364 -2.724 1.00 0.00 C ATOM 1737 NH1 ARG A 107 17.387 -10.563 -2.813 1.00 0.00 N ATOM 1738 NH2 ARG A 107 17.411 -8.419 -2.000 1.00 0.00 N ATOM 0 H ARG A 107 11.727 -10.389 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 107 11.616 -11.333 -1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.184 -8.953 -2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.583 -9.969 -1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.487 -11.617 -2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.298 -11.423 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.675 -10.752 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.441 -9.553 -4.978 1.00 0.00 H new ATOM 0 HE ARG A 107 15.278 -8.173 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.941 -11.296 -3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.265 -10.752 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.983 -7.496 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 107 18.289 -8.615 -1.520 1.00 0.00 H new ATOM 1752 N TRP A 108 10.334 -8.379 -2.339 1.00 0.00 N ATOM 1753 CA TRP A 108 9.552 -7.296 -1.756 1.00 0.00 C ATOM 1754 C TRP A 108 8.226 -7.811 -1.200 1.00 0.00 C ATOM 1755 O TRP A 108 7.770 -7.362 -0.149 1.00 0.00 O ATOM 1756 CB TRP A 108 9.294 -6.209 -2.799 1.00 0.00 C ATOM 1757 CG TRP A 108 10.548 -5.565 -3.308 1.00 0.00 C ATOM 1758 CD1 TRP A 108 11.085 -5.689 -4.556 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.423 -4.697 -2.577 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.241 -4.951 -4.647 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.469 -4.333 -3.445 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.421 -4.193 -1.275 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.503 -3.488 -3.051 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.449 -3.353 -0.885 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.477 -3.009 -1.771 1.00 0.00 C ATOM 0 H TRP A 108 10.420 -8.335 -3.354 1.00 0.00 H new ATOM 0 HA TRP A 108 10.126 -6.873 -0.932 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.750 -6.643 -3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.651 -5.443 -2.364 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.664 -6.280 -5.355 1.00 0.00 H new ATOM 0 HE1 TRP A 108 12.833 -4.876 -5.474 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.632 -4.454 -0.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.297 -3.221 -3.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.459 -2.956 0.119 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.266 -2.352 -1.436 1.00 0.00 H new ATOM 1776 N ARG A 109 7.610 -8.752 -1.911 1.00 0.00 N ATOM 1777 CA ARG A 109 6.337 -9.317 -1.478 1.00 0.00 C ATOM 1778 C ARG A 109 6.555 -10.537 -0.586 1.00 0.00 C ATOM 1779 O ARG A 109 5.716 -10.860 0.254 1.00 0.00 O ATOM 1780 CB ARG A 109 5.481 -9.697 -2.688 1.00 0.00 C ATOM 1781 CG ARG A 109 6.084 -10.800 -3.542 1.00 0.00 C ATOM 1782 CD ARG A 109 5.532 -10.771 -4.957 1.00 0.00 C ATOM 1783 NE ARG A 109 4.074 -10.858 -4.980 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.396 -12.004 -4.939 1.00 0.00 C ATOM 1785 NH1 ARG A 109 4.039 -13.163 -4.869 1.00 0.00 N ATOM 1786 NH2 ARG A 109 2.070 -11.991 -4.967 1.00 0.00 N ATOM 0 H ARG A 109 7.970 -9.137 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 109 5.812 -8.558 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.498 -10.015 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.330 -8.813 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.168 -10.689 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.875 -11.769 -3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.848 -9.852 -5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.953 -11.599 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 109 3.543 -9.989 -5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.059 -13.180 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 109 3.514 -14.037 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.570 -11.104 -5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.551 -12.868 -4.936 1.00 0.00 H new ATOM 1800 N ASP A 110 7.688 -11.207 -0.772 1.00 0.00 N ATOM 1801 CA ASP A 110 8.015 -12.387 0.020 1.00 0.00 C ATOM 1802 C ASP A 110 8.102 -12.033 1.501 1.00 0.00 C ATOM 1803 O ASP A 110 7.723 -12.825 2.363 1.00 0.00 O ATOM 1804 CB ASP A 110 9.338 -12.995 -0.451 1.00 0.00 C ATOM 1805 CG ASP A 110 9.136 -14.111 -1.457 1.00 0.00 C ATOM 1806 OD1 ASP A 110 8.745 -13.811 -2.605 1.00 0.00 O ATOM 1807 OD2 ASP A 110 9.370 -15.283 -1.099 1.00 0.00 O ATOM 0 H ASP A 110 8.394 -10.953 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 110 7.221 -13.121 -0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.955 -12.215 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.885 -13.380 0.410 1.00 0.00 H new ATOM 1812 N THR A 111 8.604 -10.835 1.788 1.00 0.00 N ATOM 1813 CA THR A 111 8.742 -10.366 3.162 1.00 0.00 C ATOM 1814 C THR A 111 7.447 -10.566 3.945 1.00 0.00 C ATOM 1815 O THR A 111 6.352 -10.405 3.404 1.00 0.00 O ATOM 1816 CB THR A 111 9.140 -8.888 3.177 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.403 -8.422 1.865 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.368 -8.612 4.015 1.00 0.00 C ATOM 0 H THR A 111 8.923 -10.170 1.084 1.00 0.00 H new ATOM 0 HA THR A 111 9.524 -10.954 3.642 1.00 0.00 H new ATOM 0 HB THR A 111 8.291 -8.365 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.567 -8.121 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.598 -7.547 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.180 -8.913 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.213 -9.177 3.620 1.00 0.00 H new ATOM 1826 N LYS A 112 7.580 -10.915 5.220 1.00 0.00 N ATOM 1827 CA LYS A 112 6.421 -11.134 6.077 1.00 0.00 C ATOM 1828 C LYS A 112 5.585 -9.864 6.198 1.00 0.00 C ATOM 1829 O LYS A 112 4.365 -9.923 6.354 1.00 0.00 O ATOM 1830 CB LYS A 112 6.868 -11.597 7.465 1.00 0.00 C ATOM 1831 CG LYS A 112 7.253 -13.066 7.521 1.00 0.00 C ATOM 1832 CD LYS A 112 7.784 -13.450 8.892 1.00 0.00 C ATOM 1833 CE LYS A 112 9.180 -12.894 9.123 1.00 0.00 C ATOM 1834 NZ LYS A 112 9.144 -11.558 9.780 1.00 0.00 N ATOM 0 H LYS A 112 8.479 -11.052 5.683 1.00 0.00 H new ATOM 0 HA LYS A 112 5.806 -11.910 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.719 -10.995 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.063 -11.413 8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.385 -13.680 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.010 -13.274 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.110 -13.076 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.803 -14.536 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.749 -13.588 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.702 -12.816 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.661 -10.870 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.156 -11.249 9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.589 -11.620 10.718 1.00 0.00 H new ATOM 1848 N ILE A 113 6.250 -8.715 6.124 1.00 0.00 N ATOM 1849 CA ILE A 113 5.569 -7.430 6.226 1.00 0.00 C ATOM 1850 C ILE A 113 4.684 -7.179 5.010 1.00 0.00 C ATOM 1851 O ILE A 113 3.582 -6.645 5.132 1.00 0.00 O ATOM 1852 CB ILE A 113 6.574 -6.271 6.369 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.504 -6.215 5.157 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.382 -6.420 7.649 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.510 -5.088 5.219 1.00 0.00 C ATOM 0 H ILE A 113 7.259 -8.648 5.994 1.00 0.00 H new ATOM 0 HA ILE A 113 4.947 -7.471 7.120 1.00 0.00 H new ATOM 0 HB ILE A 113 6.015 -5.337 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.037 -7.162 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.904 -6.106 4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.086 -5.593 7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.709 -6.412 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.930 -7.362 7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.136 -5.110 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.985 -4.134 5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.135 -5.207 6.104 1.00 0.00 H new ATOM 1867 N ALA A 114 5.174 -7.567 3.837 1.00 0.00 N ATOM 1868 CA ALA A 114 4.426 -7.383 2.599 1.00 0.00 C ATOM 1869 C ALA A 114 3.239 -8.339 2.530 1.00 0.00 C ATOM 1870 O ALA A 114 2.173 -7.984 2.028 1.00 0.00 O ATOM 1871 CB ALA A 114 5.339 -7.583 1.399 1.00 0.00 C ATOM 0 H ALA A 114 6.085 -8.010 3.718 1.00 0.00 H new ATOM 0 HA ALA A 114 4.040 -6.364 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.769 -7.443 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.152 -6.858 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.751 -8.592 1.420 1.00 0.00 H new ATOM 1877 N GLN A 115 3.433 -9.551 3.039 1.00 0.00 N ATOM 1878 CA GLN A 115 2.379 -10.559 3.037 1.00 0.00 C ATOM 1879 C GLN A 115 1.286 -10.207 4.042 1.00 0.00 C ATOM 1880 O GLN A 115 0.126 -10.579 3.868 1.00 0.00 O ATOM 1881 CB GLN A 115 2.961 -11.936 3.361 1.00 0.00 C ATOM 1882 CG GLN A 115 3.675 -12.585 2.187 1.00 0.00 C ATOM 1883 CD GLN A 115 2.733 -13.371 1.295 1.00 0.00 C ATOM 1884 OE1 GLN A 115 2.491 -14.556 1.518 1.00 0.00 O ATOM 1885 NE2 GLN A 115 2.197 -12.710 0.275 1.00 0.00 N ATOM 0 H GLN A 115 4.310 -9.859 3.458 1.00 0.00 H new ATOM 0 HA GLN A 115 1.937 -10.584 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.659 -11.840 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 115 2.157 -12.592 3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 115 4.171 -11.814 1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 115 4.454 -13.249 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.426 -11.727 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.557 -13.185 -0.361 1.00 0.00 H new ATOM 1894 N ASP A 116 1.664 -9.488 5.095 1.00 0.00 N ATOM 1895 CA ASP A 116 0.715 -9.086 6.127 1.00 0.00 C ATOM 1896 C ASP A 116 -0.001 -7.790 5.749 1.00 0.00 C ATOM 1897 O ASP A 116 -1.018 -7.437 6.347 1.00 0.00 O ATOM 1898 CB ASP A 116 1.434 -8.911 7.467 1.00 0.00 C ATOM 1899 CG ASP A 116 0.578 -9.338 8.643 1.00 0.00 C ATOM 1900 OD1 ASP A 116 -0.250 -8.523 9.102 1.00 0.00 O ATOM 1901 OD2 ASP A 116 0.735 -10.487 9.106 1.00 0.00 O ATOM 0 H ASP A 116 2.620 -9.172 5.256 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.033 -9.874 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.355 -9.494 7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.719 -7.866 7.589 1.00 0.00 H new ATOM 1906 N PHE A 117 0.536 -7.083 4.757 1.00 0.00 N ATOM 1907 CA PHE A 117 -0.051 -5.827 4.304 1.00 0.00 C ATOM 1908 C PHE A 117 -1.527 -5.997 3.957 1.00 0.00 C ATOM 1909 O PHE A 117 -2.369 -5.204 4.377 1.00 0.00 O ATOM 1910 CB PHE A 117 0.711 -5.305 3.087 1.00 0.00 C ATOM 1911 CG PHE A 117 0.455 -3.857 2.795 1.00 0.00 C ATOM 1912 CD1 PHE A 117 0.738 -2.887 3.743 1.00 0.00 C ATOM 1913 CD2 PHE A 117 -0.069 -3.465 1.574 1.00 0.00 C ATOM 1914 CE1 PHE A 117 0.502 -1.551 3.479 1.00 0.00 C ATOM 1915 CE2 PHE A 117 -0.307 -2.131 1.303 1.00 0.00 C ATOM 1916 CZ PHE A 117 -0.021 -1.173 2.257 1.00 0.00 C ATOM 0 H PHE A 117 1.378 -7.360 4.252 1.00 0.00 H new ATOM 0 HA PHE A 117 0.025 -5.107 5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.779 -5.451 3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.435 -5.897 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.148 -3.178 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.294 -4.210 0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.726 -0.804 4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.716 -1.838 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 117 -0.206 -0.130 2.048 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.835 -7.035 3.186 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.211 -7.305 2.782 1.00 0.00 C ATOM 1928 C LEU A 118 -3.753 -8.552 3.475 1.00 0.00 C ATOM 1929 O LEU A 118 -4.630 -9.232 2.941 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.298 -7.475 1.262 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.748 -6.310 0.430 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.268 -6.383 -0.997 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.113 -4.972 1.057 1.00 0.00 C ATOM 0 H LEU A 118 -1.151 -7.702 2.829 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.820 -6.452 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.760 -8.381 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.343 -7.629 0.991 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.661 -6.393 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.868 -5.549 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.953 -7.322 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.357 -6.330 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.711 -4.163 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.198 -4.880 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.692 -4.914 2.061 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.220 -8.854 4.659 1.00 0.00 N ATOM 1946 CA GLN A 119 -3.644 -10.024 5.421 1.00 0.00 C ATOM 1947 C GLN A 119 -3.708 -11.257 4.527 1.00 0.00 C ATOM 1948 O GLN A 119 -4.721 -11.955 4.477 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.001 -9.777 6.089 1.00 0.00 C ATOM 1950 CG GLN A 119 -6.127 -9.479 5.113 1.00 0.00 C ATOM 1951 CD GLN A 119 -7.491 -9.503 5.772 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -8.097 -10.562 5.933 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.983 -8.331 6.157 1.00 0.00 N ATOM 0 H GLN A 119 -2.491 -8.301 5.111 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.905 -10.203 6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.268 -10.653 6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -4.906 -8.942 6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -5.963 -8.500 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -6.105 -10.210 4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.446 -7.477 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.898 -8.285 6.606 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.613 -11.515 3.819 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.530 -12.657 2.920 1.00 0.00 C ATOM 1964 C LEU A 120 -2.013 -13.890 3.649 1.00 0.00 C ATOM 1965 O LEU A 120 -1.313 -14.721 3.070 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.623 -12.334 1.730 1.00 0.00 C ATOM 1967 CG LEU A 120 -1.712 -10.893 1.220 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.429 -10.496 0.506 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -2.911 -10.733 0.299 1.00 0.00 C ATOM 0 H LEU A 120 -1.768 -10.945 3.852 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.534 -12.870 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.591 -12.540 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.870 -13.009 0.911 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.842 -10.230 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.513 -9.469 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.411 -10.574 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.264 -11.160 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.962 -9.704 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.808 -11.406 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.823 -10.974 0.844 1.00 0.00 H new ATOM 1981 N SER A 121 -2.370 -14.003 4.919 1.00 0.00 N ATOM 1982 CA SER A 121 -1.951 -15.138 5.733 1.00 0.00 C ATOM 1983 C SER A 121 -3.020 -16.226 5.730 1.00 0.00 C ATOM 1984 O SER A 121 -4.048 -16.104 6.397 1.00 0.00 O ATOM 1985 CB SER A 121 -1.667 -14.689 7.168 1.00 0.00 C ATOM 1986 OG SER A 121 -0.846 -13.536 7.190 1.00 0.00 O ATOM 0 H SER A 121 -2.950 -13.323 5.411 1.00 0.00 H new ATOM 0 HA SER A 121 -1.037 -15.546 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.607 -14.479 7.679 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.180 -15.496 7.715 1.00 0.00 H new ATOM 0 HG SER A 121 -0.681 -13.269 8.119 1.00 0.00 H new ATOM 1992 N LYS A 122 -2.771 -17.289 4.973 1.00 0.00 N ATOM 1993 CA LYS A 122 -3.713 -18.398 4.880 1.00 0.00 C ATOM 1994 C LYS A 122 -3.724 -19.216 6.170 1.00 0.00 C ATOM 1995 O LYS A 122 -2.681 -19.427 6.789 1.00 0.00 O ATOM 1996 CB LYS A 122 -3.358 -19.299 3.695 1.00 0.00 C ATOM 1997 CG LYS A 122 -4.050 -18.901 2.401 1.00 0.00 C ATOM 1998 CD LYS A 122 -4.529 -20.119 1.626 1.00 0.00 C ATOM 1999 CE LYS A 122 -5.883 -19.871 0.980 1.00 0.00 C ATOM 2000 NZ LYS A 122 -6.997 -20.429 1.794 1.00 0.00 N ATOM 0 H LYS A 122 -1.925 -17.406 4.415 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.709 -17.982 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.279 -19.277 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -3.624 -20.328 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.899 -18.255 2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.363 -18.323 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.799 -20.373 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.596 -20.975 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.031 -18.799 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.899 -20.320 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.903 -20.239 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.870 -21.456 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.998 -19.983 2.733 1.00 0.00 H new ATOM 2014 N PRO A 123 -4.909 -19.690 6.596 1.00 0.00 N ATOM 2015 CA PRO A 123 -5.047 -20.487 7.817 1.00 0.00 C ATOM 2016 C PRO A 123 -4.560 -21.920 7.632 1.00 0.00 C ATOM 2017 O PRO A 123 -4.874 -22.568 6.633 1.00 0.00 O ATOM 2018 CB PRO A 123 -6.552 -20.463 8.078 1.00 0.00 C ATOM 2019 CG PRO A 123 -7.165 -20.321 6.729 1.00 0.00 C ATOM 2020 CD PRO A 123 -6.207 -19.487 5.919 1.00 0.00 C ATOM 0 HA PRO A 123 -4.449 -20.090 8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -6.884 -21.377 8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -6.828 -19.633 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -7.319 -21.296 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -8.141 -19.841 6.793 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -6.172 -19.813 4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -6.496 -18.436 5.914 1.00 0.00 H new ATOM 2028 N ASN A 124 -3.792 -22.409 8.599 1.00 0.00 N ATOM 2029 CA ASN A 124 -3.262 -23.766 8.543 1.00 0.00 C ATOM 2030 C ASN A 124 -4.175 -24.738 9.283 1.00 0.00 C ATOM 2031 O ASN A 124 -4.223 -25.921 8.887 1.00 0.00 O ATOM 2032 CB ASN A 124 -1.855 -23.812 9.142 1.00 0.00 C ATOM 2033 CG ASN A 124 -1.806 -23.243 10.547 1.00 0.00 C ATOM 2034 OD1 ASN A 124 -1.453 -22.081 10.746 1.00 0.00 O ATOM 2035 ND2 ASN A 124 -2.160 -24.062 11.529 1.00 0.00 N ATOM 2036 OXT ASN A 124 -4.833 -24.308 10.253 1.00 0.00 O ATOM 0 H ASN A 124 -3.522 -21.885 9.432 1.00 0.00 H new ATOM 0 HA ASN A 124 -3.213 -24.067 7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -1.504 -24.844 9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -1.172 -23.253 8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -2.146 -23.736 12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -2.446 -25.018 11.318 1.00 0.00 H new TER 2043 ASN A 124