USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 25 GLN : amide:sc= 0.902 K(o=0.9,f=-1.2) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 36 ASN : amide:sc= 0.225 K(o=0.51,f=-2.8!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -125:sc= 0.283 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=-0.57) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.148 F(o=-0.91,f=-0.15) USER MOD Single : A 53 TYR OH : rot 149:sc= -0.153 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 31:sc= 0.0865 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 121:sc= -1.07 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 1.16 K(o=1.2,f=-0.057) USER MOD Single : A 84 TYR OH : rot -5:sc= 1.05 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc=-0.000906 X(o=-0.00091,f=-0.00091) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 15 17.396 -14.090 -15.235 1.00 0.00 N ATOM 2 CA ASP A 15 17.315 -13.760 -13.801 1.00 0.00 C ATOM 3 C ASP A 15 17.610 -14.905 -12.805 1.00 0.00 C ATOM 4 O ASP A 15 17.324 -14.791 -11.616 1.00 0.00 O ATOM 5 CB ASP A 15 16.029 -12.964 -13.543 1.00 0.00 C ATOM 6 CG ASP A 15 16.181 -11.560 -14.140 1.00 0.00 C ATOM 7 OD1 ASP A 15 16.193 -11.445 -15.395 1.00 0.00 O ATOM 8 OD2 ASP A 15 16.405 -10.639 -13.327 1.00 0.00 O ATOM 0 HA ASP A 15 18.166 -13.120 -13.570 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.175 -13.473 -13.991 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.835 -12.899 -12.472 1.00 0.00 H new ATOM 13 N SER A 16 18.242 -15.978 -13.290 1.00 0.00 N ATOM 14 CA SER A 16 18.587 -17.208 -12.552 1.00 0.00 C ATOM 15 C SER A 16 20.086 -17.550 -12.598 1.00 0.00 C ATOM 16 O SER A 16 20.509 -18.584 -12.079 1.00 0.00 O ATOM 17 CB SER A 16 17.723 -18.367 -13.085 1.00 0.00 C ATOM 18 OG SER A 16 16.727 -18.677 -12.135 1.00 0.00 O ATOM 0 H SER A 16 18.546 -16.019 -14.263 1.00 0.00 H new ATOM 0 HA SER A 16 18.370 -17.038 -11.497 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.264 -18.088 -14.033 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.345 -19.242 -13.277 1.00 0.00 H new ATOM 0 HG SER A 16 16.173 -19.413 -12.470 1.00 0.00 H new ATOM 24 N VAL A 17 20.913 -16.667 -13.176 1.00 0.00 N ATOM 25 CA VAL A 17 22.345 -16.911 -13.409 1.00 0.00 C ATOM 26 C VAL A 17 23.205 -15.696 -13.069 1.00 0.00 C ATOM 27 O VAL A 17 22.705 -14.578 -12.962 1.00 0.00 O ATOM 28 CB VAL A 17 22.589 -17.321 -14.874 1.00 0.00 C ATOM 29 CG1 VAL A 17 21.684 -18.467 -15.314 1.00 0.00 C ATOM 30 CG2 VAL A 17 22.439 -16.142 -15.844 1.00 0.00 C ATOM 0 H VAL A 17 20.602 -15.751 -13.499 1.00 0.00 H new ATOM 0 HA VAL A 17 22.639 -17.723 -12.744 1.00 0.00 H new ATOM 0 HB VAL A 17 23.622 -17.666 -14.911 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.895 -18.719 -16.353 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.868 -19.338 -14.685 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.641 -18.165 -15.218 1.00 0.00 H new ATOM 0 HG21 VAL A 17 22.621 -16.484 -16.863 1.00 0.00 H new ATOM 0 HG22 VAL A 17 21.429 -15.738 -15.772 1.00 0.00 H new ATOM 0 HG23 VAL A 17 23.160 -15.366 -15.588 1.00 0.00 H new ATOM 40 N ILE A 18 24.517 -15.922 -12.966 1.00 0.00 N ATOM 41 CA ILE A 18 25.514 -14.895 -12.665 1.00 0.00 C ATOM 42 C ILE A 18 26.693 -14.996 -13.630 1.00 0.00 C ATOM 43 O ILE A 18 27.018 -16.067 -14.150 1.00 0.00 O ATOM 44 CB ILE A 18 25.979 -14.972 -11.189 1.00 0.00 C ATOM 45 CG1 ILE A 18 26.909 -16.173 -10.894 1.00 0.00 C ATOM 46 CG2 ILE A 18 24.752 -15.000 -10.259 1.00 0.00 C ATOM 47 CD1 ILE A 18 27.574 -16.122 -9.513 1.00 0.00 C ATOM 0 H ILE A 18 24.924 -16.848 -13.093 1.00 0.00 H new ATOM 0 HA ILE A 18 25.048 -13.919 -12.802 1.00 0.00 H new ATOM 0 HB ILE A 18 26.574 -14.079 -10.999 1.00 0.00 H new ATOM 0 HG12 ILE A 18 26.332 -17.094 -10.974 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.685 -16.215 -11.658 1.00 0.00 H new ATOM 0 HG21 ILE A 18 25.083 -15.054 -9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 18 24.164 -14.094 -10.405 1.00 0.00 H new ATOM 0 HG23 ILE A 18 24.140 -15.872 -10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 18 28.209 -16.998 -9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 18 28.180 -15.219 -9.434 1.00 0.00 H new ATOM 0 HD13 ILE A 18 26.806 -16.112 -8.740 1.00 0.00 H new ATOM 59 N VAL A 19 27.360 -13.860 -13.818 1.00 0.00 N ATOM 60 CA VAL A 19 28.553 -13.702 -14.635 1.00 0.00 C ATOM 61 C VAL A 19 29.533 -12.805 -13.897 1.00 0.00 C ATOM 62 O VAL A 19 29.139 -11.847 -13.231 1.00 0.00 O ATOM 63 CB VAL A 19 28.175 -13.081 -15.994 1.00 0.00 C ATOM 64 CG1 VAL A 19 29.406 -12.927 -16.896 1.00 0.00 C ATOM 65 CG2 VAL A 19 27.194 -13.979 -16.746 1.00 0.00 C ATOM 0 H VAL A 19 27.067 -12.985 -13.383 1.00 0.00 H new ATOM 0 HA VAL A 19 29.015 -14.673 -14.817 1.00 0.00 H new ATOM 0 HB VAL A 19 27.732 -12.109 -15.777 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.107 -12.486 -17.847 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.135 -12.279 -16.409 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.852 -13.906 -17.074 1.00 0.00 H new ATOM 0 HG21 VAL A 19 26.941 -13.521 -17.702 1.00 0.00 H new ATOM 0 HG22 VAL A 19 27.652 -14.953 -16.920 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.288 -14.105 -16.153 1.00 0.00 H new ATOM 75 N VAL A 20 30.820 -13.104 -14.056 1.00 0.00 N ATOM 76 CA VAL A 20 31.908 -12.296 -13.517 1.00 0.00 C ATOM 77 C VAL A 20 32.831 -11.868 -14.653 1.00 0.00 C ATOM 78 O VAL A 20 32.944 -12.550 -15.675 1.00 0.00 O ATOM 79 CB VAL A 20 32.668 -13.015 -12.372 1.00 0.00 C ATOM 80 CG1 VAL A 20 31.831 -14.057 -11.600 1.00 0.00 C ATOM 81 CG2 VAL A 20 33.991 -13.667 -12.810 1.00 0.00 C ATOM 0 H VAL A 20 31.139 -13.925 -14.570 1.00 0.00 H new ATOM 0 HA VAL A 20 31.484 -11.402 -13.060 1.00 0.00 H new ATOM 0 HB VAL A 20 32.892 -12.191 -11.694 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.443 -14.509 -10.819 1.00 0.00 H new ATOM 0 HG12 VAL A 20 30.968 -13.568 -11.148 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.490 -14.831 -12.287 1.00 0.00 H new ATOM 0 HG21 VAL A 20 34.461 -14.148 -11.952 1.00 0.00 H new ATOM 0 HG22 VAL A 20 33.792 -14.412 -13.580 1.00 0.00 H new ATOM 0 HG23 VAL A 20 34.659 -12.903 -13.208 1.00 0.00 H new ATOM 91 N ASP A 21 33.540 -10.768 -14.418 1.00 0.00 N ATOM 92 CA ASP A 21 34.532 -10.198 -15.317 1.00 0.00 C ATOM 93 C ASP A 21 35.840 -9.905 -14.566 1.00 0.00 C ATOM 94 O ASP A 21 35.874 -9.944 -13.334 1.00 0.00 O ATOM 95 CB ASP A 21 33.935 -8.933 -15.960 1.00 0.00 C ATOM 96 CG ASP A 21 34.218 -8.892 -17.459 1.00 0.00 C ATOM 97 OD1 ASP A 21 35.414 -9.028 -17.806 1.00 0.00 O ATOM 98 OD2 ASP A 21 33.241 -8.755 -18.232 1.00 0.00 O ATOM 0 H ASP A 21 33.433 -10.229 -13.559 1.00 0.00 H new ATOM 0 HA ASP A 21 34.782 -10.908 -16.105 1.00 0.00 H new ATOM 0 HB2 ASP A 21 32.859 -8.908 -15.789 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.354 -8.047 -15.483 1.00 0.00 H new ATOM 103 N ASN A 22 36.900 -9.580 -15.316 1.00 0.00 N ATOM 104 CA ASN A 22 38.276 -9.374 -14.839 1.00 0.00 C ATOM 105 C ASN A 22 38.859 -10.580 -14.069 1.00 0.00 C ATOM 106 O ASN A 22 39.629 -10.383 -13.136 1.00 0.00 O ATOM 107 CB ASN A 22 38.371 -8.071 -14.007 1.00 0.00 C ATOM 108 CG ASN A 22 37.840 -6.811 -14.681 1.00 0.00 C ATOM 109 OD1 ASN A 22 37.713 -6.718 -15.891 1.00 0.00 O ATOM 110 ND2 ASN A 22 37.509 -5.788 -13.924 1.00 0.00 N ATOM 0 H ASN A 22 36.819 -9.446 -16.324 1.00 0.00 H new ATOM 0 HA ASN A 22 38.898 -9.275 -15.729 1.00 0.00 H new ATOM 0 HB2 ASN A 22 37.827 -8.218 -13.074 1.00 0.00 H new ATOM 0 HB3 ASN A 22 39.416 -7.906 -13.744 1.00 0.00 H new ATOM 0 HD21 ASN A 22 37.152 -4.933 -14.350 1.00 0.00 H new ATOM 0 HD22 ASN A 22 37.609 -5.850 -12.911 1.00 0.00 H new ATOM 117 N VAL A 23 38.500 -11.817 -14.442 1.00 0.00 N ATOM 118 CA VAL A 23 38.980 -13.069 -13.806 1.00 0.00 C ATOM 119 C VAL A 23 40.072 -13.762 -14.640 1.00 0.00 C ATOM 120 O VAL A 23 39.788 -14.690 -15.399 1.00 0.00 O ATOM 121 CB VAL A 23 37.795 -13.965 -13.346 1.00 0.00 C ATOM 122 CG1 VAL A 23 36.815 -14.348 -14.468 1.00 0.00 C ATOM 123 CG2 VAL A 23 38.251 -15.266 -12.673 1.00 0.00 C ATOM 0 H VAL A 23 37.853 -11.987 -15.212 1.00 0.00 H new ATOM 0 HA VAL A 23 39.496 -12.818 -12.879 1.00 0.00 H new ATOM 0 HB VAL A 23 37.279 -13.328 -12.628 1.00 0.00 H new ATOM 0 HG11 VAL A 23 36.020 -14.973 -14.060 1.00 0.00 H new ATOM 0 HG12 VAL A 23 36.382 -13.444 -14.897 1.00 0.00 H new ATOM 0 HG13 VAL A 23 37.347 -14.899 -15.244 1.00 0.00 H new ATOM 0 HG21 VAL A 23 37.378 -15.847 -12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 23 38.852 -15.847 -13.373 1.00 0.00 H new ATOM 0 HG23 VAL A 23 38.848 -15.030 -11.792 1.00 0.00 H new ATOM 133 N PRO A 24 41.341 -13.312 -14.540 1.00 0.00 N ATOM 134 CA PRO A 24 42.448 -13.974 -15.206 1.00 0.00 C ATOM 135 C PRO A 24 42.693 -15.370 -14.610 1.00 0.00 C ATOM 136 O PRO A 24 42.461 -15.614 -13.422 1.00 0.00 O ATOM 137 CB PRO A 24 43.675 -13.066 -15.048 1.00 0.00 C ATOM 138 CG PRO A 24 43.393 -12.360 -13.730 1.00 0.00 C ATOM 139 CD PRO A 24 41.869 -12.202 -13.761 1.00 0.00 C ATOM 0 HA PRO A 24 42.230 -14.130 -16.262 1.00 0.00 H new ATOM 0 HB2 PRO A 24 44.602 -13.639 -15.012 1.00 0.00 H new ATOM 0 HB3 PRO A 24 43.768 -12.361 -15.874 1.00 0.00 H new ATOM 0 HG2 PRO A 24 43.723 -12.950 -12.875 1.00 0.00 H new ATOM 0 HG3 PRO A 24 43.900 -11.397 -13.668 1.00 0.00 H new ATOM 0 HD2 PRO A 24 41.460 -12.211 -12.751 1.00 0.00 H new ATOM 0 HD3 PRO A 24 41.589 -11.249 -14.210 1.00 0.00 H new ATOM 147 N GLN A 25 43.176 -16.286 -15.454 1.00 0.00 N ATOM 148 CA GLN A 25 43.679 -17.582 -15.004 1.00 0.00 C ATOM 149 C GLN A 25 44.972 -17.408 -14.186 1.00 0.00 C ATOM 150 O GLN A 25 45.638 -16.374 -14.243 1.00 0.00 O ATOM 151 CB GLN A 25 43.875 -18.466 -16.237 1.00 0.00 C ATOM 152 CG GLN A 25 44.029 -19.967 -15.950 1.00 0.00 C ATOM 153 CD GLN A 25 43.919 -20.785 -17.237 1.00 0.00 C ATOM 154 OE1 GLN A 25 44.514 -20.452 -18.253 1.00 0.00 O ATOM 155 NE2 GLN A 25 43.112 -21.826 -17.241 1.00 0.00 N ATOM 0 H GLN A 25 43.228 -16.149 -16.463 1.00 0.00 H new ATOM 0 HA GLN A 25 42.965 -18.065 -14.337 1.00 0.00 H new ATOM 0 HB2 GLN A 25 43.024 -18.326 -16.903 1.00 0.00 H new ATOM 0 HB3 GLN A 25 44.760 -18.123 -16.773 1.00 0.00 H new ATOM 0 HG2 GLN A 25 44.993 -20.153 -15.478 1.00 0.00 H new ATOM 0 HG3 GLN A 25 43.262 -20.287 -15.245 1.00 0.00 H new ATOM 0 HE21 GLN A 25 42.621 -22.094 -16.388 1.00 0.00 H new ATOM 0 HE22 GLN A 25 42.978 -22.364 -18.097 1.00 0.00 H new ATOM 164 N VAL A 26 45.336 -18.457 -13.448 1.00 0.00 N ATOM 165 CA VAL A 26 46.483 -18.537 -12.542 1.00 0.00 C ATOM 166 C VAL A 26 47.202 -19.874 -12.745 1.00 0.00 C ATOM 167 O VAL A 26 46.662 -20.786 -13.372 1.00 0.00 O ATOM 168 CB VAL A 26 46.020 -18.371 -11.075 1.00 0.00 C ATOM 169 CG1 VAL A 26 45.396 -16.992 -10.816 1.00 0.00 C ATOM 170 CG2 VAL A 26 45.023 -19.470 -10.663 1.00 0.00 C ATOM 0 H VAL A 26 44.805 -19.328 -13.468 1.00 0.00 H new ATOM 0 HA VAL A 26 47.180 -17.729 -12.765 1.00 0.00 H new ATOM 0 HB VAL A 26 46.919 -18.463 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 26 45.086 -16.923 -9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 26 46.130 -16.215 -11.029 1.00 0.00 H new ATOM 0 HG13 VAL A 26 44.528 -16.858 -11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 26 44.722 -19.318 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 26 44.144 -19.424 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 26 45.496 -20.447 -10.764 1.00 0.00 H new ATOM 180 N GLY A 27 48.421 -19.984 -12.216 1.00 0.00 N ATOM 181 CA GLY A 27 49.257 -21.178 -12.338 1.00 0.00 C ATOM 182 C GLY A 27 48.802 -22.367 -11.473 1.00 0.00 C ATOM 183 O GLY A 27 47.725 -22.337 -10.858 1.00 0.00 O ATOM 0 H GLY A 27 48.862 -19.235 -11.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 49.273 -21.490 -13.382 1.00 0.00 H new ATOM 0 HA3 GLY A 27 50.280 -20.919 -12.067 1.00 0.00 H new ATOM 187 N PRO A 28 49.617 -23.440 -11.424 1.00 0.00 N ATOM 188 CA PRO A 28 49.337 -24.622 -10.621 1.00 0.00 C ATOM 189 C PRO A 28 49.290 -24.280 -9.124 1.00 0.00 C ATOM 190 O PRO A 28 49.624 -23.174 -8.702 1.00 0.00 O ATOM 191 CB PRO A 28 50.424 -25.639 -10.969 1.00 0.00 C ATOM 192 CG PRO A 28 51.600 -24.759 -11.378 1.00 0.00 C ATOM 193 CD PRO A 28 50.920 -23.570 -12.061 1.00 0.00 C ATOM 0 HA PRO A 28 48.354 -25.038 -10.841 1.00 0.00 H new ATOM 0 HB2 PRO A 28 50.671 -26.273 -10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 28 50.114 -26.300 -11.778 1.00 0.00 H new ATOM 0 HG2 PRO A 28 52.189 -24.446 -10.516 1.00 0.00 H new ATOM 0 HG3 PRO A 28 52.277 -25.280 -12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 28 51.508 -22.660 -11.939 1.00 0.00 H new ATOM 0 HD3 PRO A 28 50.816 -23.741 -13.132 1.00 0.00 H new ATOM 201 N ASP A 29 48.831 -25.246 -8.313 1.00 0.00 N ATOM 202 CA ASP A 29 48.650 -25.124 -6.854 1.00 0.00 C ATOM 203 C ASP A 29 47.659 -24.014 -6.425 1.00 0.00 C ATOM 204 O ASP A 29 47.519 -23.732 -5.237 1.00 0.00 O ATOM 205 CB ASP A 29 50.026 -25.033 -6.163 1.00 0.00 C ATOM 206 CG ASP A 29 50.966 -26.185 -6.546 1.00 0.00 C ATOM 207 OD1 ASP A 29 50.472 -27.335 -6.629 1.00 0.00 O ATOM 208 OD2 ASP A 29 52.168 -25.909 -6.755 1.00 0.00 O ATOM 0 H ASP A 29 48.566 -26.166 -8.665 1.00 0.00 H new ATOM 0 HA ASP A 29 48.158 -26.033 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 29 50.496 -24.085 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 29 49.884 -25.031 -5.082 1.00 0.00 H new ATOM 213 N ARG A 30 46.951 -23.411 -7.387 1.00 0.00 N ATOM 214 CA ARG A 30 45.966 -22.329 -7.192 1.00 0.00 C ATOM 215 C ARG A 30 44.820 -22.364 -8.220 1.00 0.00 C ATOM 216 O ARG A 30 43.696 -22.010 -7.863 1.00 0.00 O ATOM 217 CB ARG A 30 46.748 -20.997 -7.191 1.00 0.00 C ATOM 218 CG ARG A 30 45.888 -19.719 -7.139 1.00 0.00 C ATOM 219 CD ARG A 30 46.336 -18.682 -6.099 1.00 0.00 C ATOM 220 NE ARG A 30 45.575 -18.794 -4.837 1.00 0.00 N ATOM 221 CZ ARG A 30 44.310 -18.425 -4.640 1.00 0.00 C ATOM 222 NH1 ARG A 30 43.571 -17.906 -5.601 1.00 0.00 N ATOM 223 NH2 ARG A 30 43.756 -18.580 -3.459 1.00 0.00 N ATOM 0 H ARG A 30 47.050 -23.672 -8.368 1.00 0.00 H new ATOM 0 HA ARG A 30 45.454 -22.456 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 30 47.423 -20.994 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 30 47.368 -20.960 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 30 45.897 -19.252 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 30 44.856 -20.001 -6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 30 47.399 -18.811 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 30 46.210 -17.680 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 30 46.067 -19.193 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 30 43.965 -17.775 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 30 42.606 -17.635 -5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 30 44.294 -18.983 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 30 42.788 -18.297 -3.309 1.00 0.00 H new ATOM 237 N LEU A 31 45.042 -22.857 -9.450 1.00 0.00 N ATOM 238 CA LEU A 31 43.985 -22.968 -10.475 1.00 0.00 C ATOM 239 C LEU A 31 42.695 -23.679 -10.018 1.00 0.00 C ATOM 240 O LEU A 31 41.605 -23.328 -10.457 1.00 0.00 O ATOM 241 CB LEU A 31 44.543 -23.610 -11.759 1.00 0.00 C ATOM 242 CG LEU A 31 44.661 -25.156 -11.760 1.00 0.00 C ATOM 243 CD1 LEU A 31 45.179 -25.622 -13.124 1.00 0.00 C ATOM 244 CD2 LEU A 31 45.612 -25.684 -10.678 1.00 0.00 C ATOM 0 H LEU A 31 45.954 -23.189 -9.763 1.00 0.00 H new ATOM 0 HA LEU A 31 43.676 -21.942 -10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 31 43.906 -23.315 -12.593 1.00 0.00 H new ATOM 0 HB3 LEU A 31 45.531 -23.192 -11.949 1.00 0.00 H new ATOM 0 HG LEU A 31 43.666 -25.549 -11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 31 45.264 -26.709 -13.129 1.00 0.00 H new ATOM 0 HD12 LEU A 31 44.485 -25.308 -13.903 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.158 -25.181 -13.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 45.653 -26.772 -10.729 1.00 0.00 H new ATOM 0 HD22 LEU A 31 46.610 -25.276 -10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 31 45.250 -25.380 -9.696 1.00 0.00 H new ATOM 256 N GLU A 32 42.817 -24.662 -9.122 1.00 0.00 N ATOM 257 CA GLU A 32 41.693 -25.427 -8.571 1.00 0.00 C ATOM 258 C GLU A 32 40.848 -24.520 -7.677 1.00 0.00 C ATOM 259 O GLU A 32 39.629 -24.448 -7.845 1.00 0.00 O ATOM 260 CB GLU A 32 42.216 -26.628 -7.765 1.00 0.00 C ATOM 261 CG GLU A 32 43.023 -27.640 -8.603 1.00 0.00 C ATOM 262 CD GLU A 32 42.292 -28.973 -8.767 1.00 0.00 C ATOM 263 OE1 GLU A 32 42.081 -29.641 -7.730 1.00 0.00 O ATOM 264 OE2 GLU A 32 41.935 -29.301 -9.922 1.00 0.00 O ATOM 0 H GLU A 32 43.720 -24.956 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 32 41.076 -25.799 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 32 42.844 -26.262 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 32 41.370 -27.142 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 32 43.224 -27.215 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 32 43.988 -27.814 -8.128 1.00 0.00 H new ATOM 271 N LYS A 33 41.528 -23.773 -6.790 1.00 0.00 N ATOM 272 CA LYS A 33 40.975 -22.731 -5.918 1.00 0.00 C ATOM 273 C LYS A 33 40.140 -21.722 -6.713 1.00 0.00 C ATOM 274 O LYS A 33 39.110 -21.312 -6.205 1.00 0.00 O ATOM 275 CB LYS A 33 42.096 -22.042 -5.102 1.00 0.00 C ATOM 276 CG LYS A 33 41.990 -22.242 -3.583 1.00 0.00 C ATOM 277 CD LYS A 33 42.190 -23.695 -3.123 1.00 0.00 C ATOM 278 CE LYS A 33 42.617 -23.712 -1.649 1.00 0.00 C ATOM 279 NZ LYS A 33 42.158 -24.934 -0.957 1.00 0.00 N ATOM 0 H LYS A 33 42.533 -23.889 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 33 40.301 -23.208 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.060 -22.422 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.081 -20.974 -5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.732 -21.612 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.010 -21.899 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 33 41.266 -24.259 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 33 42.948 -24.181 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.703 -23.645 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.213 -22.835 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.466 -24.907 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 41.120 -24.986 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 42.564 -25.770 -1.423 1.00 0.00 H new ATOM 293 N LEU A 34 40.502 -21.394 -7.958 1.00 0.00 N ATOM 294 CA LEU A 34 39.739 -20.485 -8.825 1.00 0.00 C ATOM 295 C LEU A 34 38.250 -20.871 -8.947 1.00 0.00 C ATOM 296 O LEU A 34 37.384 -20.031 -8.719 1.00 0.00 O ATOM 297 CB LEU A 34 40.420 -20.405 -10.203 1.00 0.00 C ATOM 298 CG LEU A 34 40.017 -19.178 -11.041 1.00 0.00 C ATOM 299 CD1 LEU A 34 40.632 -17.881 -10.503 1.00 0.00 C ATOM 300 CD2 LEU A 34 40.495 -19.383 -12.483 1.00 0.00 C ATOM 0 H LEU A 34 41.346 -21.758 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 34 39.743 -19.499 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 34 41.501 -20.394 -10.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 40.182 -21.308 -10.765 1.00 0.00 H new ATOM 0 HG LEU A 34 38.932 -19.084 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 34 40.319 -17.044 -11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 34 40.296 -17.716 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 34 41.719 -17.959 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 34 40.214 -18.519 -13.086 1.00 0.00 H new ATOM 0 HD22 LEU A 34 41.579 -19.497 -12.494 1.00 0.00 H new ATOM 0 HD23 LEU A 34 40.032 -20.279 -12.896 1.00 0.00 H new ATOM 312 N LYS A 35 37.941 -22.137 -9.275 1.00 0.00 N ATOM 313 CA LYS A 35 36.563 -22.672 -9.278 1.00 0.00 C ATOM 314 C LYS A 35 36.098 -23.125 -7.887 1.00 0.00 C ATOM 315 O LYS A 35 34.919 -22.975 -7.560 1.00 0.00 O ATOM 316 CB LYS A 35 36.447 -23.748 -10.372 1.00 0.00 C ATOM 317 CG LYS A 35 35.082 -24.458 -10.475 1.00 0.00 C ATOM 318 CD LYS A 35 34.925 -25.653 -9.515 1.00 0.00 C ATOM 319 CE LYS A 35 34.333 -26.875 -10.232 1.00 0.00 C ATOM 320 NZ LYS A 35 34.228 -28.033 -9.320 1.00 0.00 N ATOM 0 H LYS A 35 38.643 -22.825 -9.548 1.00 0.00 H new ATOM 0 HA LYS A 35 35.864 -21.874 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 35 36.668 -23.286 -11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 35 37.215 -24.502 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 35 34.292 -23.735 -10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 35 34.941 -24.806 -11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 35 35.896 -25.912 -9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.281 -25.370 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.346 -26.627 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 34.958 -27.137 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 33.825 -28.843 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.173 -28.283 -8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.612 -27.789 -8.519 1.00 0.00 H new ATOM 334 N ASN A 36 37.008 -23.622 -7.041 1.00 0.00 N ATOM 335 CA ASN A 36 36.674 -24.026 -5.673 1.00 0.00 C ATOM 336 C ASN A 36 36.137 -22.855 -4.840 1.00 0.00 C ATOM 337 O ASN A 36 35.009 -22.953 -4.367 1.00 0.00 O ATOM 338 CB ASN A 36 37.867 -24.724 -4.988 1.00 0.00 C ATOM 339 CG ASN A 36 37.580 -26.187 -4.701 1.00 0.00 C ATOM 340 OD1 ASN A 36 37.511 -26.605 -3.557 1.00 0.00 O ATOM 341 ND2 ASN A 36 37.387 -26.997 -5.723 1.00 0.00 N ATOM 0 H ASN A 36 37.990 -23.754 -7.284 1.00 0.00 H new ATOM 0 HA ASN A 36 35.866 -24.754 -5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 36 38.748 -24.645 -5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 36 38.101 -24.210 -4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 36 37.178 -27.982 -5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 36 37.447 -26.639 -6.676 1.00 0.00 H new ATOM 348 N VAL A 37 36.887 -21.753 -4.693 1.00 0.00 N ATOM 349 CA VAL A 37 36.461 -20.582 -3.908 1.00 0.00 C ATOM 350 C VAL A 37 35.102 -20.075 -4.367 1.00 0.00 C ATOM 351 O VAL A 37 34.279 -19.778 -3.513 1.00 0.00 O ATOM 352 CB VAL A 37 37.498 -19.439 -3.831 1.00 0.00 C ATOM 353 CG1 VAL A 37 38.862 -19.916 -3.308 1.00 0.00 C ATOM 354 CG2 VAL A 37 37.665 -18.621 -5.125 1.00 0.00 C ATOM 0 H VAL A 37 37.809 -21.647 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 37 36.373 -20.945 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 37 37.068 -18.752 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 37 39.553 -19.074 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 37 38.743 -20.329 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 37 39.258 -20.684 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 37 38.414 -17.844 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 37 37.986 -19.279 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 37 36.713 -18.160 -5.390 1.00 0.00 H new ATOM 364 N ILE A 38 34.826 -20.099 -5.678 1.00 0.00 N ATOM 365 CA ILE A 38 33.506 -19.828 -6.254 1.00 0.00 C ATOM 366 C ILE A 38 32.417 -20.714 -5.622 1.00 0.00 C ATOM 367 O ILE A 38 31.372 -20.190 -5.243 1.00 0.00 O ATOM 368 CB ILE A 38 33.545 -19.871 -7.806 1.00 0.00 C ATOM 369 CG1 ILE A 38 33.638 -18.439 -8.382 1.00 0.00 C ATOM 370 CG2 ILE A 38 32.299 -20.503 -8.446 1.00 0.00 C ATOM 371 CD1 ILE A 38 35.002 -17.776 -8.193 1.00 0.00 C ATOM 0 H ILE A 38 35.532 -20.313 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 38 33.223 -18.806 -6.000 1.00 0.00 H new ATOM 0 HB ILE A 38 34.417 -20.481 -8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 38 33.407 -18.472 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 38 32.876 -17.819 -7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 38 32.404 -20.495 -9.531 1.00 0.00 H new ATOM 0 HG22 ILE A 38 32.193 -21.531 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 38 31.415 -19.932 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 38 34.983 -16.775 -8.625 1.00 0.00 H new ATOM 0 HD12 ILE A 38 35.229 -17.708 -7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 38 35.768 -18.371 -8.690 1.00 0.00 H new ATOM 383 N HIS A 39 32.637 -22.022 -5.444 1.00 0.00 N ATOM 384 CA HIS A 39 31.656 -22.900 -4.779 1.00 0.00 C ATOM 385 C HIS A 39 31.455 -22.547 -3.305 1.00 0.00 C ATOM 386 O HIS A 39 30.314 -22.569 -2.845 1.00 0.00 O ATOM 387 CB HIS A 39 31.972 -24.392 -4.964 1.00 0.00 C ATOM 388 CG HIS A 39 31.542 -24.903 -6.317 1.00 0.00 C ATOM 389 ND1 HIS A 39 30.579 -25.869 -6.551 1.00 0.00 N ATOM 390 CD2 HIS A 39 31.945 -24.409 -7.526 1.00 0.00 C ATOM 391 CE1 HIS A 39 30.404 -25.954 -7.884 1.00 0.00 C ATOM 392 NE2 HIS A 39 31.226 -25.078 -8.488 1.00 0.00 N ATOM 0 H HIS A 39 33.485 -22.500 -5.750 1.00 0.00 H new ATOM 0 HA HIS A 39 30.708 -22.714 -5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 39 33.043 -24.553 -4.841 1.00 0.00 H new ATOM 0 HB3 HIS A 39 31.472 -24.967 -4.185 1.00 0.00 H new ATOM 0 HD2 HIS A 39 32.686 -23.641 -7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 39 29.716 -26.618 -8.386 1.00 0.00 H new ATOM 0 HE2 HIS A 39 31.303 -24.934 -9.495 1.00 0.00 H new ATOM 401 N LYS A 40 32.525 -22.215 -2.567 1.00 0.00 N ATOM 402 CA LYS A 40 32.418 -21.870 -1.138 1.00 0.00 C ATOM 403 C LYS A 40 31.817 -20.477 -0.910 1.00 0.00 C ATOM 404 O LYS A 40 30.860 -20.364 -0.146 1.00 0.00 O ATOM 405 CB LYS A 40 33.755 -21.997 -0.395 1.00 0.00 C ATOM 406 CG LYS A 40 34.322 -23.425 -0.316 1.00 0.00 C ATOM 407 CD LYS A 40 35.158 -23.813 -1.539 1.00 0.00 C ATOM 408 CE LYS A 40 36.297 -24.782 -1.216 1.00 0.00 C ATOM 409 NZ LYS A 40 35.837 -26.175 -1.105 1.00 0.00 N ATOM 0 H LYS A 40 33.476 -22.178 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 40 31.731 -22.606 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.489 -21.358 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 40 33.628 -21.616 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 40 34.937 -23.515 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 40 33.498 -24.130 -0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 40 34.506 -24.267 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.575 -22.910 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.058 -24.715 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.770 -24.483 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 36.122 -26.562 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.801 -26.206 -1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.262 -26.743 -1.865 1.00 0.00 H new ATOM 423 N ILE A 41 32.318 -19.440 -1.592 1.00 0.00 N ATOM 424 CA ILE A 41 31.825 -18.060 -1.449 1.00 0.00 C ATOM 425 C ILE A 41 30.327 -17.966 -1.700 1.00 0.00 C ATOM 426 O ILE A 41 29.613 -17.291 -0.962 1.00 0.00 O ATOM 427 CB ILE A 41 32.583 -17.079 -2.367 1.00 0.00 C ATOM 428 CG1 ILE A 41 32.326 -15.621 -1.949 1.00 0.00 C ATOM 429 CG2 ILE A 41 32.313 -17.272 -3.871 1.00 0.00 C ATOM 430 CD1 ILE A 41 31.119 -14.904 -2.591 1.00 0.00 C ATOM 0 H ILE A 41 33.081 -19.533 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 41 32.016 -17.771 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 41 33.638 -17.315 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 41 32.196 -15.598 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 33.222 -15.042 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 41 32.886 -16.541 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 41 32.611 -18.278 -4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 41 31.250 -17.135 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 41 31.055 -13.885 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 41 31.245 -14.878 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 41 30.203 -15.442 -2.345 1.00 0.00 H new ATOM 442 N PHE A 42 29.856 -18.665 -2.737 1.00 0.00 N ATOM 443 CA PHE A 42 28.459 -18.639 -3.119 1.00 0.00 C ATOM 444 C PHE A 42 27.584 -19.612 -2.305 1.00 0.00 C ATOM 445 O PHE A 42 26.357 -19.604 -2.440 1.00 0.00 O ATOM 446 CB PHE A 42 28.383 -18.803 -4.639 1.00 0.00 C ATOM 447 CG PHE A 42 28.795 -17.560 -5.429 1.00 0.00 C ATOM 448 CD1 PHE A 42 28.149 -16.334 -5.195 1.00 0.00 C ATOM 449 CD2 PHE A 42 29.782 -17.618 -6.433 1.00 0.00 C ATOM 450 CE1 PHE A 42 28.490 -15.184 -5.916 1.00 0.00 C ATOM 451 CE2 PHE A 42 30.135 -16.464 -7.155 1.00 0.00 C ATOM 452 CZ PHE A 42 29.486 -15.245 -6.894 1.00 0.00 C ATOM 0 H PHE A 42 30.438 -19.260 -3.327 1.00 0.00 H new ATOM 0 HA PHE A 42 28.017 -17.676 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 42 29.022 -19.635 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 42 27.363 -19.071 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 42 27.375 -16.278 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 42 30.271 -18.556 -6.650 1.00 0.00 H new ATOM 0 HE1 PHE A 42 27.984 -14.251 -5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 42 30.905 -16.514 -7.910 1.00 0.00 H new ATOM 0 HZ PHE A 42 29.756 -14.358 -7.448 1.00 0.00 H new ATOM 462 N SER A 43 28.195 -20.383 -1.393 1.00 0.00 N ATOM 463 CA SER A 43 27.494 -21.343 -0.538 1.00 0.00 C ATOM 464 C SER A 43 26.686 -20.684 0.591 1.00 0.00 C ATOM 465 O SER A 43 25.702 -21.268 1.036 1.00 0.00 O ATOM 466 CB SER A 43 28.463 -22.345 0.088 1.00 0.00 C ATOM 467 OG SER A 43 27.756 -23.547 0.311 1.00 0.00 O ATOM 0 H SER A 43 29.201 -20.354 -1.229 1.00 0.00 H new ATOM 0 HA SER A 43 26.797 -21.852 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 43 29.313 -22.518 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 43 28.862 -21.957 1.025 1.00 0.00 H new ATOM 0 HG SER A 43 28.356 -24.210 0.712 1.00 0.00 H new ATOM 473 N LYS A 44 27.051 -19.465 1.042 1.00 0.00 N ATOM 474 CA LYS A 44 26.252 -18.711 2.037 1.00 0.00 C ATOM 475 C LYS A 44 24.882 -18.269 1.497 1.00 0.00 C ATOM 476 O LYS A 44 23.986 -17.997 2.289 1.00 0.00 O ATOM 477 CB LYS A 44 27.017 -17.507 2.635 1.00 0.00 C ATOM 478 CG LYS A 44 27.659 -16.608 1.572 1.00 0.00 C ATOM 479 CD LYS A 44 28.224 -15.285 2.117 1.00 0.00 C ATOM 480 CE LYS A 44 29.366 -14.825 1.198 1.00 0.00 C ATOM 481 NZ LYS A 44 29.642 -13.377 1.314 1.00 0.00 N ATOM 0 H LYS A 44 27.894 -18.980 0.734 1.00 0.00 H new ATOM 0 HA LYS A 44 26.071 -19.419 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.330 -16.912 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.793 -17.875 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 44 28.463 -17.159 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 44 26.916 -16.384 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.442 -14.527 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.589 -15.420 3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.270 -15.384 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.113 -15.061 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.420 -13.120 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.790 -12.839 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.911 -13.152 2.293 1.00 0.00 H new ATOM 495 N PHE A 45 24.701 -18.244 0.171 1.00 0.00 N ATOM 496 CA PHE A 45 23.445 -17.849 -0.485 1.00 0.00 C ATOM 497 C PHE A 45 22.613 -19.050 -0.974 1.00 0.00 C ATOM 498 O PHE A 45 21.456 -18.874 -1.349 1.00 0.00 O ATOM 499 CB PHE A 45 23.743 -16.918 -1.671 1.00 0.00 C ATOM 500 CG PHE A 45 24.878 -15.932 -1.452 1.00 0.00 C ATOM 501 CD1 PHE A 45 24.794 -14.912 -0.488 1.00 0.00 C ATOM 502 CD2 PHE A 45 26.059 -16.081 -2.194 1.00 0.00 C ATOM 503 CE1 PHE A 45 25.874 -14.027 -0.301 1.00 0.00 C ATOM 504 CE2 PHE A 45 27.140 -15.204 -2.008 1.00 0.00 C ATOM 505 CZ PHE A 45 27.039 -14.161 -1.072 1.00 0.00 C ATOM 0 H PHE A 45 25.435 -18.502 -0.489 1.00 0.00 H new ATOM 0 HA PHE A 45 22.851 -17.331 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.978 -17.530 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.838 -16.359 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.901 -14.807 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.138 -16.880 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.805 -13.243 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 45 28.046 -15.331 -2.582 1.00 0.00 H new ATOM 0 HZ PHE A 45 27.855 -13.465 -0.946 1.00 0.00 H new ATOM 515 N GLY A 46 23.189 -20.260 -0.995 1.00 0.00 N ATOM 516 CA GLY A 46 22.525 -21.458 -1.503 1.00 0.00 C ATOM 517 C GLY A 46 23.517 -22.531 -1.954 1.00 0.00 C ATOM 518 O GLY A 46 24.573 -22.714 -1.360 1.00 0.00 O ATOM 0 H GLY A 46 24.136 -20.431 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.879 -21.868 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.883 -21.186 -2.341 1.00 0.00 H new ATOM 522 N LYS A 47 23.165 -23.259 -3.020 1.00 0.00 N ATOM 523 CA LYS A 47 24.015 -24.264 -3.669 1.00 0.00 C ATOM 524 C LYS A 47 24.004 -24.017 -5.179 1.00 0.00 C ATOM 525 O LYS A 47 22.937 -23.871 -5.780 1.00 0.00 O ATOM 526 CB LYS A 47 23.510 -25.676 -3.314 1.00 0.00 C ATOM 527 CG LYS A 47 24.559 -26.767 -3.610 1.00 0.00 C ATOM 528 CD LYS A 47 25.418 -27.095 -2.379 1.00 0.00 C ATOM 529 CE LYS A 47 26.525 -28.091 -2.742 1.00 0.00 C ATOM 530 NZ LYS A 47 27.351 -28.421 -1.562 1.00 0.00 N ATOM 0 H LYS A 47 22.254 -23.162 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 47 25.043 -24.185 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.244 -25.709 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.602 -25.887 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.054 -27.671 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.204 -26.437 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.860 -26.181 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.790 -27.512 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 47 26.082 -29.001 -3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.156 -27.669 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 28.093 -29.097 -1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 27.791 -27.554 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.751 -28.845 -0.826 1.00 0.00 H new ATOM 544 N ILE A 48 25.191 -23.930 -5.774 1.00 0.00 N ATOM 545 CA ILE A 48 25.352 -23.756 -7.219 1.00 0.00 C ATOM 546 C ILE A 48 25.279 -25.130 -7.895 1.00 0.00 C ATOM 547 O ILE A 48 25.955 -26.061 -7.460 1.00 0.00 O ATOM 548 CB ILE A 48 26.694 -23.069 -7.546 1.00 0.00 C ATOM 549 CG1 ILE A 48 26.985 -21.854 -6.631 1.00 0.00 C ATOM 550 CG2 ILE A 48 26.658 -22.600 -9.004 1.00 0.00 C ATOM 551 CD1 ILE A 48 28.075 -22.157 -5.603 1.00 0.00 C ATOM 0 H ILE A 48 26.074 -23.978 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 48 24.553 -23.117 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 48 27.489 -23.796 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 48 27.290 -21.005 -7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.071 -21.563 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 48 27.600 -22.111 -9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 48 26.511 -23.459 -9.659 1.00 0.00 H new ATOM 0 HG23 ILE A 48 25.837 -21.896 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 48 28.246 -21.277 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 48 27.760 -22.989 -4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 48 28.998 -22.422 -6.119 1.00 0.00 H new ATOM 563 N THR A 49 24.471 -25.249 -8.952 1.00 0.00 N ATOM 564 CA THR A 49 24.322 -26.492 -9.723 1.00 0.00 C ATOM 565 C THR A 49 25.123 -26.489 -11.035 1.00 0.00 C ATOM 566 O THR A 49 25.640 -27.534 -11.425 1.00 0.00 O ATOM 567 CB THR A 49 22.831 -26.818 -9.934 1.00 0.00 C ATOM 568 OG1 THR A 49 22.691 -27.954 -10.753 1.00 0.00 O ATOM 569 CG2 THR A 49 22.012 -25.674 -10.538 1.00 0.00 C ATOM 0 H THR A 49 23.897 -24.482 -9.301 1.00 0.00 H new ATOM 0 HA THR A 49 24.759 -27.297 -9.133 1.00 0.00 H new ATOM 0 HB THR A 49 22.434 -26.998 -8.935 1.00 0.00 H new ATOM 0 HG1 THR A 49 21.739 -28.152 -10.878 1.00 0.00 H new ATOM 0 HG21 THR A 49 20.975 -25.990 -10.652 1.00 0.00 H new ATOM 0 HG22 THR A 49 22.057 -24.807 -9.879 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.420 -25.410 -11.514 1.00 0.00 H new ATOM 577 N ASN A 50 25.313 -25.332 -11.686 1.00 0.00 N ATOM 578 CA ASN A 50 26.092 -25.208 -12.924 1.00 0.00 C ATOM 579 C ASN A 50 27.437 -24.496 -12.695 1.00 0.00 C ATOM 580 O ASN A 50 27.610 -23.805 -11.697 1.00 0.00 O ATOM 581 CB ASN A 50 25.275 -24.378 -13.910 1.00 0.00 C ATOM 582 CG ASN A 50 24.062 -25.104 -14.463 1.00 0.00 C ATOM 583 OD1 ASN A 50 22.903 -24.921 -13.869 1.00 0.00 O flip ATOM 584 ND2 ASN A 50 24.145 -25.817 -15.449 1.00 0.00 N flip ATOM 0 H ASN A 50 24.925 -24.446 -11.363 1.00 0.00 H new ATOM 0 HA ASN A 50 26.301 -26.210 -13.300 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.946 -23.464 -13.416 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.917 -24.079 -14.739 1.00 0.00 H new ATOM 0 HD21 ASN A 50 25.047 -25.954 -15.905 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.312 -26.276 -15.818 1.00 0.00 H new ATOM 591 N ASP A 51 28.371 -24.610 -13.645 1.00 0.00 N ATOM 592 CA ASP A 51 29.697 -23.988 -13.579 1.00 0.00 C ATOM 593 C ASP A 51 30.457 -24.090 -14.913 1.00 0.00 C ATOM 594 O ASP A 51 30.789 -25.185 -15.356 1.00 0.00 O ATOM 595 CB ASP A 51 30.538 -24.599 -12.436 1.00 0.00 C ATOM 596 CG ASP A 51 30.336 -26.095 -12.126 1.00 0.00 C ATOM 597 OD1 ASP A 51 30.148 -26.911 -13.054 1.00 0.00 O ATOM 598 OD2 ASP A 51 30.409 -26.427 -10.922 1.00 0.00 O ATOM 0 H ASP A 51 28.223 -25.148 -14.499 1.00 0.00 H new ATOM 0 HA ASP A 51 29.537 -22.930 -13.373 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.591 -24.444 -12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 51 30.329 -24.036 -11.526 1.00 0.00 H new ATOM 603 N PHE A 52 30.762 -22.953 -15.548 1.00 0.00 N ATOM 604 CA PHE A 52 31.466 -22.921 -16.829 1.00 0.00 C ATOM 605 C PHE A 52 32.609 -21.904 -16.818 1.00 0.00 C ATOM 606 O PHE A 52 32.425 -20.717 -16.519 1.00 0.00 O ATOM 607 CB PHE A 52 30.490 -22.619 -17.967 1.00 0.00 C ATOM 608 CG PHE A 52 29.252 -23.495 -17.988 1.00 0.00 C ATOM 609 CD1 PHE A 52 29.256 -24.723 -18.674 1.00 0.00 C ATOM 610 CD2 PHE A 52 28.092 -23.085 -17.308 1.00 0.00 C ATOM 611 CE1 PHE A 52 28.100 -25.523 -18.692 1.00 0.00 C ATOM 612 CE2 PHE A 52 26.926 -23.869 -17.355 1.00 0.00 C ATOM 613 CZ PHE A 52 26.931 -25.095 -18.035 1.00 0.00 C ATOM 0 H PHE A 52 30.526 -22.029 -15.185 1.00 0.00 H new ATOM 0 HA PHE A 52 31.903 -23.906 -16.992 1.00 0.00 H new ATOM 0 HB2 PHE A 52 30.180 -21.577 -17.895 1.00 0.00 H new ATOM 0 HB3 PHE A 52 31.014 -22.731 -18.916 1.00 0.00 H new ATOM 0 HD1 PHE A 52 30.148 -25.052 -19.187 1.00 0.00 H new ATOM 0 HD2 PHE A 52 28.097 -22.163 -16.746 1.00 0.00 H new ATOM 0 HE1 PHE A 52 28.109 -26.470 -19.212 1.00 0.00 H new ATOM 0 HE2 PHE A 52 26.026 -23.527 -16.867 1.00 0.00 H new ATOM 0 HZ PHE A 52 26.042 -25.708 -18.055 1.00 0.00 H new ATOM 623 N TYR A 53 33.800 -22.398 -17.179 1.00 0.00 N ATOM 624 CA TYR A 53 35.069 -21.666 -17.225 1.00 0.00 C ATOM 625 C TYR A 53 35.593 -21.695 -18.675 1.00 0.00 C ATOM 626 O TYR A 53 36.357 -22.599 -19.022 1.00 0.00 O ATOM 627 CB TYR A 53 36.064 -22.260 -16.220 1.00 0.00 C ATOM 628 CG TYR A 53 35.843 -21.774 -14.780 1.00 0.00 C ATOM 629 CD1 TYR A 53 34.676 -22.081 -14.078 1.00 0.00 C ATOM 630 CD2 TYR A 53 36.803 -20.948 -14.157 1.00 0.00 C ATOM 631 CE1 TYR A 53 34.425 -21.556 -12.792 1.00 0.00 C ATOM 632 CE2 TYR A 53 36.593 -20.438 -12.872 1.00 0.00 C ATOM 633 CZ TYR A 53 35.383 -20.714 -12.200 1.00 0.00 C ATOM 634 OH TYR A 53 35.112 -20.099 -11.003 1.00 0.00 O ATOM 0 H TYR A 53 33.908 -23.372 -17.462 1.00 0.00 H new ATOM 0 HA TYR A 53 34.928 -20.625 -16.933 1.00 0.00 H new ATOM 0 HB2 TYR A 53 35.987 -23.347 -16.244 1.00 0.00 H new ATOM 0 HB3 TYR A 53 37.077 -22.005 -16.530 1.00 0.00 H new ATOM 0 HD1 TYR A 53 33.947 -22.737 -14.530 1.00 0.00 H new ATOM 0 HD2 TYR A 53 37.715 -20.706 -14.682 1.00 0.00 H new ATOM 0 HE1 TYR A 53 33.511 -21.797 -12.270 1.00 0.00 H new ATOM 0 HE2 TYR A 53 37.353 -19.836 -12.396 1.00 0.00 H new ATOM 0 HH TYR A 53 35.944 -19.988 -10.497 1.00 0.00 H new ATOM 644 N PRO A 54 35.170 -20.754 -19.553 1.00 0.00 N ATOM 645 CA PRO A 54 35.651 -20.667 -20.934 1.00 0.00 C ATOM 646 C PRO A 54 37.119 -20.216 -20.977 1.00 0.00 C ATOM 647 O PRO A 54 37.690 -19.858 -19.953 1.00 0.00 O ATOM 648 CB PRO A 54 34.711 -19.664 -21.611 1.00 0.00 C ATOM 649 CG PRO A 54 34.296 -18.736 -20.466 1.00 0.00 C ATOM 650 CD PRO A 54 34.240 -19.668 -19.258 1.00 0.00 C ATOM 0 HA PRO A 54 35.636 -21.629 -21.446 1.00 0.00 H new ATOM 0 HB2 PRO A 54 35.214 -19.117 -22.409 1.00 0.00 H new ATOM 0 HB3 PRO A 54 33.850 -20.160 -22.058 1.00 0.00 H new ATOM 0 HG2 PRO A 54 35.017 -17.931 -20.320 1.00 0.00 H new ATOM 0 HG3 PRO A 54 33.330 -18.268 -20.658 1.00 0.00 H new ATOM 0 HD2 PRO A 54 34.526 -19.144 -18.346 1.00 0.00 H new ATOM 0 HD3 PRO A 54 33.230 -20.048 -19.104 1.00 0.00 H new ATOM 658 N GLU A 55 37.725 -20.195 -22.169 1.00 0.00 N ATOM 659 CA GLU A 55 39.096 -19.717 -22.417 1.00 0.00 C ATOM 660 C GLU A 55 39.215 -19.036 -23.788 1.00 0.00 C ATOM 661 O GLU A 55 38.290 -19.082 -24.596 1.00 0.00 O ATOM 662 CB GLU A 55 40.094 -20.892 -22.319 1.00 0.00 C ATOM 663 CG GLU A 55 40.562 -21.172 -20.877 1.00 0.00 C ATOM 664 CD GLU A 55 41.691 -22.209 -20.793 1.00 0.00 C ATOM 665 OE1 GLU A 55 42.187 -22.651 -21.855 1.00 0.00 O ATOM 666 OE2 GLU A 55 42.040 -22.573 -19.643 1.00 0.00 O ATOM 0 H GLU A 55 37.262 -20.520 -23.018 1.00 0.00 H new ATOM 0 HA GLU A 55 39.335 -18.976 -21.654 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.628 -21.791 -22.724 1.00 0.00 H new ATOM 0 HB3 GLU A 55 40.963 -20.675 -22.941 1.00 0.00 H new ATOM 0 HG2 GLU A 55 40.901 -20.240 -20.425 1.00 0.00 H new ATOM 0 HG3 GLU A 55 39.713 -21.521 -20.289 1.00 0.00 H new ATOM 673 N GLU A 56 40.373 -18.425 -24.053 1.00 0.00 N ATOM 674 CA GLU A 56 40.722 -17.803 -25.328 1.00 0.00 C ATOM 675 C GLU A 56 41.867 -18.569 -25.995 1.00 0.00 C ATOM 676 O GLU A 56 42.972 -18.612 -25.473 1.00 0.00 O ATOM 677 CB GLU A 56 41.025 -16.310 -25.117 1.00 0.00 C ATOM 678 CG GLU A 56 42.206 -15.997 -24.176 1.00 0.00 C ATOM 679 CD GLU A 56 42.264 -14.521 -23.755 1.00 0.00 C ATOM 680 OE1 GLU A 56 41.211 -13.982 -23.343 1.00 0.00 O ATOM 681 OE2 GLU A 56 43.371 -13.920 -23.888 1.00 0.00 O ATOM 0 H GLU A 56 41.117 -18.349 -23.360 1.00 0.00 H new ATOM 0 HA GLU A 56 39.877 -17.856 -26.015 1.00 0.00 H new ATOM 0 HB2 GLU A 56 41.227 -15.858 -26.088 1.00 0.00 H new ATOM 0 HB3 GLU A 56 40.131 -15.828 -24.721 1.00 0.00 H new ATOM 0 HG2 GLU A 56 42.128 -16.620 -23.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 43.139 -16.264 -24.672 1.00 0.00 H new ATOM 688 N ASP A 57 41.596 -19.261 -27.108 1.00 0.00 N ATOM 689 CA ASP A 57 42.578 -20.045 -27.879 1.00 0.00 C ATOM 690 C ASP A 57 43.363 -21.103 -27.054 1.00 0.00 C ATOM 691 O ASP A 57 44.448 -21.521 -27.456 1.00 0.00 O ATOM 692 CB ASP A 57 43.514 -19.093 -28.654 1.00 0.00 C ATOM 693 CG ASP A 57 42.754 -18.061 -29.492 1.00 0.00 C ATOM 694 OD1 ASP A 57 41.849 -18.492 -30.242 1.00 0.00 O ATOM 695 OD2 ASP A 57 43.077 -16.856 -29.372 1.00 0.00 O ATOM 0 H ASP A 57 40.660 -19.294 -27.512 1.00 0.00 H new ATOM 0 HA ASP A 57 42.007 -20.645 -28.587 1.00 0.00 H new ATOM 0 HB2 ASP A 57 44.162 -18.574 -27.948 1.00 0.00 H new ATOM 0 HB3 ASP A 57 44.160 -19.679 -29.307 1.00 0.00 H new ATOM 700 N GLY A 58 42.837 -21.532 -25.896 1.00 0.00 N ATOM 701 CA GLY A 58 43.549 -22.427 -24.969 1.00 0.00 C ATOM 702 C GLY A 58 44.461 -21.683 -23.977 1.00 0.00 C ATOM 703 O GLY A 58 45.367 -22.290 -23.408 1.00 0.00 O ATOM 0 H GLY A 58 41.905 -21.268 -25.575 1.00 0.00 H new ATOM 0 HA2 GLY A 58 42.820 -23.013 -24.410 1.00 0.00 H new ATOM 0 HA3 GLY A 58 44.150 -23.131 -25.545 1.00 0.00 H new ATOM 707 N LYS A 59 44.267 -20.366 -23.803 1.00 0.00 N ATOM 708 CA LYS A 59 45.040 -19.451 -22.958 1.00 0.00 C ATOM 709 C LYS A 59 44.145 -18.868 -21.856 1.00 0.00 C ATOM 710 O LYS A 59 42.937 -19.109 -21.809 1.00 0.00 O ATOM 711 CB LYS A 59 45.636 -18.312 -23.818 1.00 0.00 C ATOM 712 CG LYS A 59 46.340 -18.736 -25.122 1.00 0.00 C ATOM 713 CD LYS A 59 47.667 -19.470 -24.900 1.00 0.00 C ATOM 714 CE LYS A 59 48.728 -18.501 -24.366 1.00 0.00 C ATOM 715 NZ LYS A 59 50.037 -19.166 -24.217 1.00 0.00 N ATOM 0 H LYS A 59 43.510 -19.881 -24.285 1.00 0.00 H new ATOM 0 HA LYS A 59 45.855 -20.004 -22.492 1.00 0.00 H new ATOM 0 HB2 LYS A 59 44.833 -17.620 -24.072 1.00 0.00 H new ATOM 0 HB3 LYS A 59 46.351 -17.761 -23.207 1.00 0.00 H new ATOM 0 HG2 LYS A 59 45.671 -19.380 -25.692 1.00 0.00 H new ATOM 0 HG3 LYS A 59 46.523 -17.850 -25.729 1.00 0.00 H new ATOM 0 HD2 LYS A 59 47.524 -20.288 -24.194 1.00 0.00 H new ATOM 0 HD3 LYS A 59 48.007 -19.912 -25.836 1.00 0.00 H new ATOM 0 HE2 LYS A 59 48.824 -17.654 -25.045 1.00 0.00 H new ATOM 0 HE3 LYS A 59 48.408 -18.103 -23.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 50.733 -18.484 -23.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 49.949 -19.960 -23.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 50.352 -19.524 -25.141 1.00 0.00 H new ATOM 729 N THR A 60 44.762 -18.075 -20.974 1.00 0.00 N ATOM 730 CA THR A 60 44.167 -17.454 -19.787 1.00 0.00 C ATOM 731 C THR A 60 42.860 -16.706 -20.096 1.00 0.00 C ATOM 732 O THR A 60 42.833 -15.745 -20.864 1.00 0.00 O ATOM 733 CB THR A 60 45.196 -16.544 -19.080 1.00 0.00 C ATOM 734 OG1 THR A 60 45.635 -15.480 -19.893 1.00 0.00 O ATOM 735 CG2 THR A 60 46.481 -17.273 -18.677 1.00 0.00 C ATOM 0 H THR A 60 45.748 -17.836 -21.076 1.00 0.00 H new ATOM 0 HA THR A 60 43.893 -18.259 -19.104 1.00 0.00 H new ATOM 0 HB THR A 60 44.647 -16.193 -18.206 1.00 0.00 H new ATOM 0 HG1 THR A 60 44.915 -15.217 -20.504 1.00 0.00 H new ATOM 0 HG21 THR A 60 47.158 -16.573 -18.186 1.00 0.00 H new ATOM 0 HG22 THR A 60 46.239 -18.085 -17.992 1.00 0.00 H new ATOM 0 HG23 THR A 60 46.963 -17.680 -19.566 1.00 0.00 H new ATOM 743 N LYS A 61 41.757 -17.165 -19.497 1.00 0.00 N ATOM 744 CA LYS A 61 40.438 -16.520 -19.599 1.00 0.00 C ATOM 745 C LYS A 61 40.374 -15.176 -18.856 1.00 0.00 C ATOM 746 O LYS A 61 41.331 -14.785 -18.191 1.00 0.00 O ATOM 747 CB LYS A 61 39.370 -17.505 -19.099 1.00 0.00 C ATOM 748 CG LYS A 61 39.344 -17.747 -17.572 1.00 0.00 C ATOM 749 CD LYS A 61 39.140 -19.235 -17.217 1.00 0.00 C ATOM 750 CE LYS A 61 39.915 -19.595 -15.948 1.00 0.00 C ATOM 751 NZ LYS A 61 40.105 -21.055 -15.847 1.00 0.00 N ATOM 0 H LYS A 61 41.752 -18.006 -18.919 1.00 0.00 H new ATOM 0 HA LYS A 61 40.248 -16.276 -20.644 1.00 0.00 H new ATOM 0 HB2 LYS A 61 38.391 -17.138 -19.407 1.00 0.00 H new ATOM 0 HB3 LYS A 61 39.523 -18.462 -19.598 1.00 0.00 H new ATOM 0 HG2 LYS A 61 40.279 -17.397 -17.135 1.00 0.00 H new ATOM 0 HG3 LYS A 61 38.543 -17.157 -17.127 1.00 0.00 H new ATOM 0 HD2 LYS A 61 38.079 -19.438 -17.072 1.00 0.00 H new ATOM 0 HD3 LYS A 61 39.474 -19.861 -18.044 1.00 0.00 H new ATOM 0 HE2 LYS A 61 40.885 -19.097 -15.955 1.00 0.00 H new ATOM 0 HE3 LYS A 61 39.377 -19.232 -15.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 40.633 -21.277 -14.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 39.178 -21.525 -15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 40.639 -21.394 -16.673 1.00 0.00 H new ATOM 765 N GLY A 62 39.217 -14.512 -18.955 1.00 0.00 N ATOM 766 CA GLY A 62 38.873 -13.290 -18.226 1.00 0.00 C ATOM 767 C GLY A 62 37.437 -13.230 -17.690 1.00 0.00 C ATOM 768 O GLY A 62 37.108 -12.250 -17.031 1.00 0.00 O ATOM 0 H GLY A 62 38.466 -14.825 -19.570 1.00 0.00 H new ATOM 0 HA2 GLY A 62 39.561 -13.180 -17.388 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.034 -12.436 -18.884 1.00 0.00 H new ATOM 772 N TYR A 63 36.592 -14.247 -17.937 1.00 0.00 N ATOM 773 CA TYR A 63 35.165 -14.288 -17.586 1.00 0.00 C ATOM 774 C TYR A 63 34.769 -15.742 -17.250 1.00 0.00 C ATOM 775 O TYR A 63 35.412 -16.677 -17.732 1.00 0.00 O ATOM 776 CB TYR A 63 34.382 -13.651 -18.767 1.00 0.00 C ATOM 777 CG TYR A 63 33.261 -14.454 -19.412 1.00 0.00 C ATOM 778 CD1 TYR A 63 32.000 -14.520 -18.786 1.00 0.00 C ATOM 779 CD2 TYR A 63 33.455 -15.098 -20.641 1.00 0.00 C ATOM 780 CE1 TYR A 63 30.942 -15.225 -19.373 1.00 0.00 C ATOM 781 CE2 TYR A 63 32.394 -15.793 -21.257 1.00 0.00 C ATOM 782 CZ TYR A 63 31.134 -15.862 -20.627 1.00 0.00 C ATOM 783 OH TYR A 63 30.103 -16.532 -21.232 1.00 0.00 O ATOM 0 H TYR A 63 36.900 -15.098 -18.407 1.00 0.00 H new ATOM 0 HA TYR A 63 34.925 -13.712 -16.692 1.00 0.00 H new ATOM 0 HB2 TYR A 63 33.956 -12.712 -18.414 1.00 0.00 H new ATOM 0 HB3 TYR A 63 35.102 -13.402 -19.546 1.00 0.00 H new ATOM 0 HD1 TYR A 63 31.848 -14.020 -17.841 1.00 0.00 H new ATOM 0 HD2 TYR A 63 34.423 -15.062 -21.119 1.00 0.00 H new ATOM 0 HE1 TYR A 63 29.986 -15.284 -18.875 1.00 0.00 H new ATOM 0 HE2 TYR A 63 32.546 -16.273 -22.212 1.00 0.00 H new ATOM 0 HH TYR A 63 30.411 -16.906 -22.084 1.00 0.00 H new ATOM 793 N ILE A 64 33.710 -15.922 -16.445 1.00 0.00 N ATOM 794 CA ILE A 64 33.092 -17.229 -16.126 1.00 0.00 C ATOM 795 C ILE A 64 31.556 -17.110 -16.119 1.00 0.00 C ATOM 796 O ILE A 64 31.018 -16.002 -16.049 1.00 0.00 O ATOM 797 CB ILE A 64 33.596 -17.774 -14.760 1.00 0.00 C ATOM 798 CG1 ILE A 64 33.112 -16.950 -13.536 1.00 0.00 C ATOM 799 CG2 ILE A 64 35.121 -17.960 -14.704 1.00 0.00 C ATOM 800 CD1 ILE A 64 32.187 -17.770 -12.631 1.00 0.00 C ATOM 0 H ILE A 64 33.243 -15.142 -15.982 1.00 0.00 H new ATOM 0 HA ILE A 64 33.388 -17.936 -16.901 1.00 0.00 H new ATOM 0 HB ILE A 64 33.135 -18.759 -14.690 1.00 0.00 H new ATOM 0 HG12 ILE A 64 33.974 -16.610 -12.962 1.00 0.00 H new ATOM 0 HG13 ILE A 64 32.587 -16.059 -13.881 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.405 -18.343 -13.724 1.00 0.00 H new ATOM 0 HG22 ILE A 64 35.430 -18.668 -15.473 1.00 0.00 H new ATOM 0 HG23 ILE A 64 35.611 -17.002 -14.875 1.00 0.00 H new ATOM 0 HD11 ILE A 64 31.870 -17.159 -11.786 1.00 0.00 H new ATOM 0 HD12 ILE A 64 31.312 -18.088 -13.198 1.00 0.00 H new ATOM 0 HD13 ILE A 64 32.720 -18.647 -12.264 1.00 0.00 H new ATOM 812 N PHE A 65 30.860 -18.254 -16.124 1.00 0.00 N ATOM 813 CA PHE A 65 29.401 -18.326 -16.126 1.00 0.00 C ATOM 814 C PHE A 65 28.930 -19.384 -15.116 1.00 0.00 C ATOM 815 O PHE A 65 29.382 -20.530 -15.152 1.00 0.00 O ATOM 816 CB PHE A 65 28.942 -18.637 -17.560 1.00 0.00 C ATOM 817 CG PHE A 65 27.458 -18.918 -17.711 1.00 0.00 C ATOM 818 CD1 PHE A 65 26.516 -17.992 -17.233 1.00 0.00 C ATOM 819 CD2 PHE A 65 27.010 -20.105 -18.324 1.00 0.00 C ATOM 820 CE1 PHE A 65 25.144 -18.249 -17.376 1.00 0.00 C ATOM 821 CE2 PHE A 65 25.635 -20.376 -18.429 1.00 0.00 C ATOM 822 CZ PHE A 65 24.695 -19.445 -17.957 1.00 0.00 C ATOM 0 H PHE A 65 31.308 -19.170 -16.127 1.00 0.00 H new ATOM 0 HA PHE A 65 28.958 -17.379 -15.818 1.00 0.00 H new ATOM 0 HB2 PHE A 65 29.204 -17.795 -18.200 1.00 0.00 H new ATOM 0 HB3 PHE A 65 29.499 -19.500 -17.925 1.00 0.00 H new ATOM 0 HD1 PHE A 65 26.848 -17.082 -16.755 1.00 0.00 H new ATOM 0 HD2 PHE A 65 27.728 -20.811 -18.716 1.00 0.00 H new ATOM 0 HE1 PHE A 65 24.425 -17.518 -17.035 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.300 -21.302 -18.873 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.637 -19.648 -18.040 1.00 0.00 H new ATOM 832 N LEU A 66 28.027 -18.988 -14.207 1.00 0.00 N ATOM 833 CA LEU A 66 27.436 -19.839 -13.168 1.00 0.00 C ATOM 834 C LEU A 66 25.901 -19.694 -13.171 1.00 0.00 C ATOM 835 O LEU A 66 25.381 -18.584 -13.263 1.00 0.00 O ATOM 836 CB LEU A 66 28.014 -19.426 -11.795 1.00 0.00 C ATOM 837 CG LEU A 66 28.877 -20.499 -11.118 1.00 0.00 C ATOM 838 CD1 LEU A 66 30.269 -20.662 -11.731 1.00 0.00 C ATOM 839 CD2 LEU A 66 29.063 -20.132 -9.644 1.00 0.00 C ATOM 0 H LEU A 66 27.676 -18.031 -14.176 1.00 0.00 H new ATOM 0 HA LEU A 66 27.679 -20.883 -13.366 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.613 -18.524 -11.924 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.189 -19.169 -11.130 1.00 0.00 H new ATOM 0 HG LEU A 66 28.346 -21.441 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 66 30.814 -21.439 -11.195 1.00 0.00 H new ATOM 0 HD12 LEU A 66 30.174 -20.943 -12.780 1.00 0.00 H new ATOM 0 HD13 LEU A 66 30.812 -19.720 -11.655 1.00 0.00 H new ATOM 0 HD21 LEU A 66 29.675 -20.890 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.557 -19.163 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 66 28.090 -20.082 -9.156 1.00 0.00 H new ATOM 851 N GLU A 67 25.171 -20.801 -12.998 1.00 0.00 N ATOM 852 CA GLU A 67 23.703 -20.837 -12.928 1.00 0.00 C ATOM 853 C GLU A 67 23.229 -21.569 -11.663 1.00 0.00 C ATOM 854 O GLU A 67 23.616 -22.716 -11.397 1.00 0.00 O ATOM 855 CB GLU A 67 23.113 -21.421 -14.228 1.00 0.00 C ATOM 856 CG GLU A 67 21.616 -21.785 -14.122 1.00 0.00 C ATOM 857 CD GLU A 67 20.927 -21.986 -15.481 1.00 0.00 C ATOM 858 OE1 GLU A 67 21.633 -22.017 -16.515 1.00 0.00 O ATOM 859 OE2 GLU A 67 19.683 -22.101 -15.469 1.00 0.00 O ATOM 0 H GLU A 67 25.595 -21.723 -12.900 1.00 0.00 H new ATOM 0 HA GLU A 67 23.326 -19.818 -12.846 1.00 0.00 H new ATOM 0 HB2 GLU A 67 23.246 -20.699 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 23.676 -22.313 -14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.515 -22.698 -13.536 1.00 0.00 H new ATOM 0 HG3 GLU A 67 21.098 -20.997 -13.576 1.00 0.00 H new ATOM 866 N TYR A 68 22.383 -20.888 -10.885 1.00 0.00 N ATOM 867 CA TYR A 68 21.774 -21.447 -9.681 1.00 0.00 C ATOM 868 C TYR A 68 20.494 -22.222 -10.000 1.00 0.00 C ATOM 869 O TYR A 68 19.922 -22.124 -11.083 1.00 0.00 O ATOM 870 CB TYR A 68 21.440 -20.328 -8.692 1.00 0.00 C ATOM 871 CG TYR A 68 22.659 -19.680 -8.091 1.00 0.00 C ATOM 872 CD1 TYR A 68 23.233 -20.199 -6.917 1.00 0.00 C ATOM 873 CD2 TYR A 68 23.209 -18.539 -8.698 1.00 0.00 C ATOM 874 CE1 TYR A 68 24.319 -19.542 -6.318 1.00 0.00 C ATOM 875 CE2 TYR A 68 24.319 -17.912 -8.130 1.00 0.00 C ATOM 876 CZ TYR A 68 24.878 -18.417 -6.946 1.00 0.00 C ATOM 877 OH TYR A 68 25.966 -17.817 -6.417 1.00 0.00 O ATOM 0 H TYR A 68 22.101 -19.927 -11.077 1.00 0.00 H new ATOM 0 HA TYR A 68 22.497 -22.135 -9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 68 20.847 -19.568 -9.201 1.00 0.00 H new ATOM 0 HB3 TYR A 68 20.821 -20.733 -7.892 1.00 0.00 H new ATOM 0 HD1 TYR A 68 22.838 -21.103 -6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 68 22.773 -18.147 -9.605 1.00 0.00 H new ATOM 0 HE1 TYR A 68 24.722 -19.899 -5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 68 24.747 -17.039 -8.601 1.00 0.00 H new ATOM 0 HH TYR A 68 26.695 -17.827 -7.071 1.00 0.00 H new ATOM 887 N ALA A 69 20.003 -22.948 -8.993 1.00 0.00 N ATOM 888 CA ALA A 69 18.745 -23.680 -9.063 1.00 0.00 C ATOM 889 C ALA A 69 17.492 -22.783 -8.907 1.00 0.00 C ATOM 890 O ALA A 69 16.387 -23.294 -9.044 1.00 0.00 O ATOM 891 CB ALA A 69 18.794 -24.779 -7.993 1.00 0.00 C ATOM 0 H ALA A 69 20.478 -23.043 -8.095 1.00 0.00 H new ATOM 0 HA ALA A 69 18.643 -24.110 -10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.866 -25.350 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 69 19.634 -25.444 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 69 18.917 -24.324 -7.010 1.00 0.00 H new ATOM 897 N SER A 70 17.647 -21.480 -8.607 1.00 0.00 N ATOM 898 CA SER A 70 16.547 -20.534 -8.350 1.00 0.00 C ATOM 899 C SER A 70 16.933 -19.074 -8.648 1.00 0.00 C ATOM 900 O SER A 70 18.115 -18.732 -8.544 1.00 0.00 O ATOM 901 CB SER A 70 16.136 -20.636 -6.871 1.00 0.00 C ATOM 902 OG SER A 70 14.921 -21.346 -6.771 1.00 0.00 O ATOM 0 H SER A 70 18.567 -21.045 -8.535 1.00 0.00 H new ATOM 0 HA SER A 70 15.727 -20.804 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.914 -21.142 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.024 -19.640 -6.443 1.00 0.00 H new ATOM 0 HG SER A 70 14.658 -21.414 -5.829 1.00 0.00 H new ATOM 908 N PRO A 71 15.958 -18.179 -8.933 1.00 0.00 N ATOM 909 CA PRO A 71 16.212 -16.762 -9.211 1.00 0.00 C ATOM 910 C PRO A 71 16.770 -16.040 -7.980 1.00 0.00 C ATOM 911 O PRO A 71 17.820 -15.402 -8.062 1.00 0.00 O ATOM 912 CB PRO A 71 14.875 -16.176 -9.686 1.00 0.00 C ATOM 913 CG PRO A 71 13.829 -17.098 -9.056 1.00 0.00 C ATOM 914 CD PRO A 71 14.530 -18.457 -9.039 1.00 0.00 C ATOM 0 HA PRO A 71 16.975 -16.635 -9.978 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.750 -15.145 -9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.803 -16.173 -10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.557 -16.772 -8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.910 -17.125 -9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.188 -19.061 -8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.310 -19.020 -9.946 1.00 0.00 H new ATOM 922 N ALA A 72 16.119 -16.230 -6.825 1.00 0.00 N ATOM 923 CA ALA A 72 16.491 -15.683 -5.517 1.00 0.00 C ATOM 924 C ALA A 72 17.941 -15.980 -5.096 1.00 0.00 C ATOM 925 O ALA A 72 18.452 -15.305 -4.212 1.00 0.00 O ATOM 926 CB ALA A 72 15.515 -16.236 -4.471 1.00 0.00 C ATOM 0 H ALA A 72 15.274 -16.800 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 72 16.430 -14.597 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.773 -15.842 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.499 -15.936 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.578 -17.324 -4.453 1.00 0.00 H new ATOM 932 N HIS A 73 18.609 -16.970 -5.707 1.00 0.00 N ATOM 933 CA HIS A 73 20.017 -17.275 -5.441 1.00 0.00 C ATOM 934 C HIS A 73 20.930 -16.402 -6.313 1.00 0.00 C ATOM 935 O HIS A 73 21.853 -15.779 -5.800 1.00 0.00 O ATOM 936 CB HIS A 73 20.285 -18.765 -5.687 1.00 0.00 C ATOM 937 CG HIS A 73 19.600 -19.755 -4.769 1.00 0.00 C ATOM 938 ND1 HIS A 73 19.975 -21.078 -4.631 1.00 0.00 N ATOM 939 CD2 HIS A 73 18.526 -19.535 -3.944 1.00 0.00 C ATOM 940 CE1 HIS A 73 19.140 -21.647 -3.741 1.00 0.00 C ATOM 941 NE2 HIS A 73 18.250 -20.731 -3.320 1.00 0.00 N ATOM 0 H HIS A 73 18.183 -17.583 -6.402 1.00 0.00 H new ATOM 0 HA HIS A 73 20.237 -17.052 -4.397 1.00 0.00 H new ATOM 0 HB2 HIS A 73 19.991 -18.996 -6.711 1.00 0.00 H new ATOM 0 HB3 HIS A 73 21.360 -18.930 -5.619 1.00 0.00 H new ATOM 0 HD2 HIS A 73 17.998 -18.602 -3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 73 19.179 -22.676 -3.417 1.00 0.00 H new ATOM 0 HE2 HIS A 73 17.497 -20.895 -2.651 1.00 0.00 H new ATOM 950 N ALA A 74 20.652 -16.323 -7.620 1.00 0.00 N ATOM 951 CA ALA A 74 21.384 -15.498 -8.584 1.00 0.00 C ATOM 952 C ALA A 74 21.249 -13.998 -8.289 1.00 0.00 C ATOM 953 O ALA A 74 22.266 -13.315 -8.134 1.00 0.00 O ATOM 954 CB ALA A 74 20.904 -15.831 -10.003 1.00 0.00 C ATOM 0 H ALA A 74 19.888 -16.848 -8.047 1.00 0.00 H new ATOM 0 HA ALA A 74 22.445 -15.730 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.446 -15.219 -10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 74 21.088 -16.885 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 74 19.837 -15.626 -10.084 1.00 0.00 H new ATOM 960 N VAL A 75 20.007 -13.499 -8.192 1.00 0.00 N ATOM 961 CA VAL A 75 19.731 -12.069 -7.961 1.00 0.00 C ATOM 962 C VAL A 75 20.356 -11.582 -6.645 1.00 0.00 C ATOM 963 O VAL A 75 20.807 -10.442 -6.558 1.00 0.00 O ATOM 964 CB VAL A 75 18.219 -11.752 -8.020 1.00 0.00 C ATOM 965 CG1 VAL A 75 17.558 -12.269 -9.314 1.00 0.00 C ATOM 966 CG2 VAL A 75 17.455 -12.276 -6.792 1.00 0.00 C ATOM 0 H VAL A 75 19.167 -14.072 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 75 20.203 -11.519 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 75 18.154 -10.664 -8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 75 16.497 -12.020 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 75 18.033 -11.802 -10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.677 -13.351 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.398 -12.025 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 75 17.567 -13.358 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 75 17.858 -11.816 -5.890 1.00 0.00 H new ATOM 976 N ASP A 76 20.440 -12.476 -5.652 1.00 0.00 N ATOM 977 CA ASP A 76 21.139 -12.251 -4.393 1.00 0.00 C ATOM 978 C ASP A 76 22.659 -12.289 -4.586 1.00 0.00 C ATOM 979 O ASP A 76 23.318 -11.292 -4.294 1.00 0.00 O ATOM 980 CB ASP A 76 20.681 -13.293 -3.369 1.00 0.00 C ATOM 981 CG ASP A 76 21.374 -13.071 -2.032 1.00 0.00 C ATOM 982 OD1 ASP A 76 20.933 -12.163 -1.293 1.00 0.00 O ATOM 983 OD2 ASP A 76 22.395 -13.759 -1.804 1.00 0.00 O ATOM 0 H ASP A 76 20.010 -13.399 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 76 20.893 -11.256 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.600 -13.233 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 76 20.902 -14.295 -3.738 1.00 0.00 H new ATOM 988 N ALA A 77 23.221 -13.389 -5.104 1.00 0.00 N ATOM 989 CA ALA A 77 24.657 -13.571 -5.308 1.00 0.00 C ATOM 990 C ALA A 77 25.327 -12.401 -6.051 1.00 0.00 C ATOM 991 O ALA A 77 26.377 -11.925 -5.615 1.00 0.00 O ATOM 992 CB ALA A 77 24.860 -14.892 -6.056 1.00 0.00 C ATOM 0 H ALA A 77 22.672 -14.196 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 77 25.143 -13.597 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 77 25.925 -15.056 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.456 -15.712 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 77 24.344 -14.850 -7.015 1.00 0.00 H new ATOM 998 N VAL A 78 24.697 -11.902 -7.122 1.00 0.00 N ATOM 999 CA VAL A 78 25.153 -10.709 -7.853 1.00 0.00 C ATOM 1000 C VAL A 78 25.239 -9.461 -6.972 1.00 0.00 C ATOM 1001 O VAL A 78 26.220 -8.729 -7.050 1.00 0.00 O ATOM 1002 CB VAL A 78 24.245 -10.467 -9.073 1.00 0.00 C ATOM 1003 CG1 VAL A 78 24.467 -9.113 -9.755 1.00 0.00 C ATOM 1004 CG2 VAL A 78 24.480 -11.578 -10.100 1.00 0.00 C ATOM 0 H VAL A 78 23.850 -12.317 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 78 26.171 -10.905 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 78 23.221 -10.468 -8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.791 -9.018 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.271 -8.311 -9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.498 -9.045 -10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.840 -11.413 -10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.524 -11.570 -10.413 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.243 -12.543 -9.652 1.00 0.00 H new ATOM 1014 N LYS A 79 24.234 -9.240 -6.118 1.00 0.00 N ATOM 1015 CA LYS A 79 24.126 -8.096 -5.200 1.00 0.00 C ATOM 1016 C LYS A 79 24.897 -8.312 -3.879 1.00 0.00 C ATOM 1017 O LYS A 79 24.924 -7.417 -3.039 1.00 0.00 O ATOM 1018 CB LYS A 79 22.620 -7.771 -5.049 1.00 0.00 C ATOM 1019 CG LYS A 79 22.327 -6.480 -4.256 1.00 0.00 C ATOM 1020 CD LYS A 79 21.890 -6.779 -2.810 1.00 0.00 C ATOM 1021 CE LYS A 79 22.421 -5.766 -1.788 1.00 0.00 C ATOM 1022 NZ LYS A 79 21.381 -4.815 -1.347 1.00 0.00 N ATOM 0 H LYS A 79 23.441 -9.877 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 79 24.624 -7.216 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 79 22.178 -7.683 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.127 -8.608 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 79 23.218 -5.852 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 79 21.545 -5.913 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 79 20.801 -6.793 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 79 22.234 -7.776 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 79 22.813 -6.299 -0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 79 23.253 -5.214 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 21.788 -4.151 -0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 21.024 -4.286 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.598 -5.337 -0.905 1.00 0.00 H new ATOM 1036 N ASN A 80 25.547 -9.467 -3.703 1.00 0.00 N ATOM 1037 CA ASN A 80 26.343 -9.791 -2.517 1.00 0.00 C ATOM 1038 C ASN A 80 27.835 -9.928 -2.834 1.00 0.00 C ATOM 1039 O ASN A 80 28.644 -9.373 -2.102 1.00 0.00 O ATOM 1040 CB ASN A 80 25.800 -11.062 -1.859 1.00 0.00 C ATOM 1041 CG ASN A 80 24.554 -10.817 -1.023 1.00 0.00 C ATOM 1042 OD1 ASN A 80 24.602 -10.804 0.196 1.00 0.00 O ATOM 1043 ND2 ASN A 80 23.411 -10.648 -1.646 1.00 0.00 N ATOM 0 H ASN A 80 25.534 -10.216 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 80 26.252 -8.959 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.572 -11.795 -2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.575 -11.496 -1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.555 -10.504 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.379 -10.660 -2.665 1.00 0.00 H new ATOM 1050 N ALA A 81 28.209 -10.620 -3.917 1.00 0.00 N ATOM 1051 CA ALA A 81 29.609 -10.844 -4.300 1.00 0.00 C ATOM 1052 C ALA A 81 30.158 -9.824 -5.322 1.00 0.00 C ATOM 1053 O ALA A 81 31.149 -10.092 -6.003 1.00 0.00 O ATOM 1054 CB ALA A 81 29.753 -12.276 -4.809 1.00 0.00 C ATOM 0 H ALA A 81 27.541 -11.045 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 81 30.219 -10.692 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.788 -12.457 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.469 -12.973 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.105 -12.422 -5.673 1.00 0.00 H new ATOM 1060 N ASP A 82 29.498 -8.671 -5.457 1.00 0.00 N ATOM 1061 CA ASP A 82 29.870 -7.557 -6.332 1.00 0.00 C ATOM 1062 C ASP A 82 31.291 -7.022 -6.058 1.00 0.00 C ATOM 1063 O ASP A 82 31.464 -6.033 -5.350 1.00 0.00 O ATOM 1064 CB ASP A 82 28.811 -6.448 -6.213 1.00 0.00 C ATOM 1065 CG ASP A 82 29.134 -5.247 -7.112 1.00 0.00 C ATOM 1066 OD1 ASP A 82 29.702 -5.477 -8.210 1.00 0.00 O ATOM 1067 OD2 ASP A 82 28.787 -4.114 -6.708 1.00 0.00 O ATOM 0 H ASP A 82 28.645 -8.480 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 82 29.896 -7.926 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 82 27.834 -6.849 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 82 28.746 -6.118 -5.176 1.00 0.00 H new ATOM 1072 N GLY A 83 32.308 -7.673 -6.636 1.00 0.00 N ATOM 1073 CA GLY A 83 33.703 -7.220 -6.633 1.00 0.00 C ATOM 1074 C GLY A 83 34.583 -7.973 -5.638 1.00 0.00 C ATOM 1075 O GLY A 83 34.771 -7.535 -4.504 1.00 0.00 O ATOM 0 H GLY A 83 32.179 -8.554 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 83 34.117 -7.337 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 83 33.731 -6.156 -6.399 1.00 0.00 H new ATOM 1079 N TYR A 84 35.141 -9.106 -6.072 1.00 0.00 N ATOM 1080 CA TYR A 84 35.947 -9.979 -5.218 1.00 0.00 C ATOM 1081 C TYR A 84 37.276 -9.331 -4.765 1.00 0.00 C ATOM 1082 O TYR A 84 37.955 -8.656 -5.540 1.00 0.00 O ATOM 1083 CB TYR A 84 36.225 -11.302 -5.952 1.00 0.00 C ATOM 1084 CG TYR A 84 35.025 -11.968 -6.589 1.00 0.00 C ATOM 1085 CD1 TYR A 84 34.059 -12.624 -5.796 1.00 0.00 C ATOM 1086 CD2 TYR A 84 34.918 -11.991 -7.988 1.00 0.00 C ATOM 1087 CE1 TYR A 84 33.019 -13.341 -6.417 1.00 0.00 C ATOM 1088 CE2 TYR A 84 33.864 -12.671 -8.613 1.00 0.00 C ATOM 1089 CZ TYR A 84 32.923 -13.357 -7.827 1.00 0.00 C ATOM 1090 OH TYR A 84 31.939 -14.077 -8.420 1.00 0.00 O ATOM 0 H TYR A 84 35.045 -9.444 -7.030 1.00 0.00 H new ATOM 0 HA TYR A 84 35.370 -10.163 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 84 36.968 -11.116 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 84 36.671 -12.001 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 84 34.118 -12.576 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 84 35.655 -11.480 -8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 84 32.297 -13.877 -5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 84 33.776 -12.668 -9.689 1.00 0.00 H new ATOM 0 HH TYR A 84 31.445 -14.580 -7.739 1.00 0.00 H new ATOM 1100 N LYS A 85 37.722 -9.591 -3.527 1.00 0.00 N ATOM 1101 CA LYS A 85 38.935 -8.974 -2.938 1.00 0.00 C ATOM 1102 C LYS A 85 40.230 -9.792 -3.112 1.00 0.00 C ATOM 1103 O LYS A 85 41.004 -9.952 -2.174 1.00 0.00 O ATOM 1104 CB LYS A 85 38.683 -8.528 -1.485 1.00 0.00 C ATOM 1105 CG LYS A 85 38.251 -9.641 -0.513 1.00 0.00 C ATOM 1106 CD LYS A 85 36.739 -9.662 -0.280 1.00 0.00 C ATOM 1107 CE LYS A 85 36.230 -8.385 0.406 1.00 0.00 C ATOM 1108 NZ LYS A 85 35.250 -7.654 -0.424 1.00 0.00 N ATOM 0 H LYS A 85 37.252 -10.240 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 85 39.128 -8.078 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 85 39.594 -8.069 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 85 37.914 -7.755 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 85 38.568 -10.606 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 85 38.760 -9.504 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 85 36.229 -9.785 -1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 85 36.481 -10.526 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 85 35.772 -8.646 1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 85 37.075 -7.732 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 34.936 -6.801 0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 35.693 -7.381 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 34.430 -8.266 -0.613 1.00 0.00 H new ATOM 1224 N PHE A 92 36.875 -6.983 -9.634 1.00 0.00 N ATOM 1225 CA PHE A 92 35.981 -7.733 -10.516 1.00 0.00 C ATOM 1226 C PHE A 92 34.599 -7.079 -10.545 1.00 0.00 C ATOM 1227 O PHE A 92 34.320 -6.167 -9.766 1.00 0.00 O ATOM 1228 CB PHE A 92 35.870 -9.189 -10.038 1.00 0.00 C ATOM 1229 CG PHE A 92 37.200 -9.852 -9.737 1.00 0.00 C ATOM 1230 CD1 PHE A 92 37.878 -9.522 -8.556 1.00 0.00 C ATOM 1231 CD2 PHE A 92 37.768 -10.799 -10.610 1.00 0.00 C ATOM 1232 CE1 PHE A 92 39.135 -10.066 -8.273 1.00 0.00 C ATOM 1233 CE2 PHE A 92 39.013 -11.376 -10.304 1.00 0.00 C ATOM 1234 CZ PHE A 92 39.711 -10.992 -9.149 1.00 0.00 C ATOM 0 HA PHE A 92 36.392 -7.725 -11.525 1.00 0.00 H new ATOM 0 HB2 PHE A 92 35.252 -9.218 -9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.352 -9.771 -10.801 1.00 0.00 H new ATOM 0 HD1 PHE A 92 37.424 -8.838 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 92 37.248 -11.082 -11.513 1.00 0.00 H new ATOM 0 HE1 PHE A 92 39.661 -9.771 -7.377 1.00 0.00 H new ATOM 0 HE2 PHE A 92 39.435 -12.120 -10.963 1.00 0.00 H new ATOM 0 HZ PHE A 92 40.685 -11.408 -8.938 1.00 0.00 H new ATOM 1244 N ARG A 93 33.727 -7.563 -11.436 1.00 0.00 N ATOM 1245 CA ARG A 93 32.375 -7.022 -11.647 1.00 0.00 C ATOM 1246 C ARG A 93 31.382 -8.175 -11.825 1.00 0.00 C ATOM 1247 O ARG A 93 31.297 -8.755 -12.906 1.00 0.00 O ATOM 1248 CB ARG A 93 32.367 -6.060 -12.858 1.00 0.00 C ATOM 1249 CG ARG A 93 33.418 -4.932 -12.796 1.00 0.00 C ATOM 1250 CD ARG A 93 33.208 -3.932 -11.643 1.00 0.00 C ATOM 1251 NE ARG A 93 32.446 -2.748 -12.076 1.00 0.00 N ATOM 1252 CZ ARG A 93 32.932 -1.700 -12.735 1.00 0.00 C ATOM 1253 NH1 ARG A 93 34.206 -1.598 -13.055 1.00 0.00 N ATOM 1254 NH2 ARG A 93 32.135 -0.721 -13.091 1.00 0.00 N ATOM 0 H ARG A 93 33.942 -8.355 -12.042 1.00 0.00 H new ATOM 0 HA ARG A 93 32.068 -6.446 -10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 93 32.531 -6.640 -13.766 1.00 0.00 H new ATOM 0 HB3 ARG A 93 31.377 -5.611 -12.941 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.408 -5.378 -12.698 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.406 -4.388 -13.740 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.680 -4.425 -10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.176 -3.618 -11.253 1.00 0.00 H new ATOM 0 HE ARG A 93 31.452 -2.730 -11.849 1.00 0.00 H new ATOM 0 HH11 ARG A 93 34.858 -2.339 -12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 93 34.541 -0.778 -13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 93 31.142 -0.763 -12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 93 32.508 0.082 -13.596 1.00 0.00 H new ATOM 1268 N VAL A 94 30.665 -8.536 -10.758 1.00 0.00 N ATOM 1269 CA VAL A 94 29.655 -9.607 -10.795 1.00 0.00 C ATOM 1270 C VAL A 94 28.315 -9.008 -11.215 1.00 0.00 C ATOM 1271 O VAL A 94 27.809 -8.115 -10.544 1.00 0.00 O ATOM 1272 CB VAL A 94 29.526 -10.346 -9.449 1.00 0.00 C ATOM 1273 CG1 VAL A 94 28.551 -11.528 -9.567 1.00 0.00 C ATOM 1274 CG2 VAL A 94 30.885 -10.914 -9.026 1.00 0.00 C ATOM 0 H VAL A 94 30.765 -8.097 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 94 29.976 -10.353 -11.522 1.00 0.00 H new ATOM 0 HB VAL A 94 29.160 -9.628 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 94 28.476 -12.035 -8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 94 27.568 -11.161 -9.862 1.00 0.00 H new ATOM 0 HG13 VAL A 94 28.917 -12.228 -10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 94 30.782 -11.434 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 94 31.239 -11.612 -9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 94 31.602 -10.100 -8.919 1.00 0.00 H new ATOM 1284 N ASN A 95 27.758 -9.483 -12.331 1.00 0.00 N ATOM 1285 CA ASN A 95 26.481 -9.042 -12.901 1.00 0.00 C ATOM 1286 C ASN A 95 25.669 -10.246 -13.428 1.00 0.00 C ATOM 1287 O ASN A 95 26.147 -11.381 -13.441 1.00 0.00 O ATOM 1288 CB ASN A 95 26.745 -7.970 -13.979 1.00 0.00 C ATOM 1289 CG ASN A 95 27.196 -6.649 -13.374 1.00 0.00 C ATOM 1290 OD1 ASN A 95 26.391 -5.815 -12.994 1.00 0.00 O ATOM 1291 ND2 ASN A 95 28.487 -6.423 -13.245 1.00 0.00 N ATOM 0 H ASN A 95 28.202 -10.215 -12.886 1.00 0.00 H new ATOM 0 HA ASN A 95 25.867 -8.583 -12.126 1.00 0.00 H new ATOM 0 HB2 ASN A 95 27.507 -8.331 -14.670 1.00 0.00 H new ATOM 0 HB3 ASN A 95 25.837 -7.811 -14.561 1.00 0.00 H new ATOM 0 HD21 ASN A 95 28.813 -5.551 -12.828 1.00 0.00 H new ATOM 0 HD22 ASN A 95 29.161 -7.120 -13.562 1.00 0.00 H new