USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 713 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 9 SER OG : rot 180:sc= 0.0116 USER MOD Set 1.2: A 92 THR OG1 : rot 140:sc= 0.0126 USER MOD Single : A 1 VAL N :NH3+ -157:sc= -0.227 (180deg=-1.28!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -4.84! C(o=-4.8!,f=-5.1!) USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -45:sc= 0.0746 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -1.46! (180deg=-3.39!) USER MOD Single : A 17 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0832) USER MOD Single : A 19 LYS NZ :NH3+ -142:sc= -2.91 (180deg=-5.49!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.84 K(o=-1.8,f=-3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -5 F(o=-7.3!,f=-5) USER MOD Single : A 52 ASN : amide:sc= -1.34 K(o=-1.3,f=-5.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 82 THR OG1 : rot -158:sc= -1.87! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.986 -13.121 0.733 1.00 0.00 N ATOM 2 CA VAL A 1 -0.414 -11.844 1.249 1.00 0.00 C ATOM 3 C VAL A 1 -1.372 -11.206 2.258 1.00 0.00 C ATOM 4 O VAL A 1 -1.829 -10.095 2.078 1.00 0.00 O ATOM 5 CB VAL A 1 -0.263 -10.950 0.018 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.473 -9.667 0.408 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.535 -11.690 -1.057 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.219 -13.727 0.378 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.488 -13.612 1.501 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.651 -12.916 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 1 0.536 -11.996 1.762 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.249 -10.699 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.581 -9.029 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.096 -9.139 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.459 -9.918 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.642 -11.052 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.522 -11.942 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.010 -12.604 -1.335 1.00 0.00 H new ATOM 19 N THR A 2 -1.683 -11.902 3.317 1.00 0.00 N ATOM 20 CA THR A 2 -2.614 -11.333 4.333 1.00 0.00 C ATOM 21 C THR A 2 -1.955 -11.321 5.715 1.00 0.00 C ATOM 22 O THR A 2 -1.153 -12.174 6.040 1.00 0.00 O ATOM 23 CB THR A 2 -3.824 -12.269 4.326 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.357 -12.341 3.012 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.892 -11.735 5.283 1.00 0.00 C ATOM 0 H THR A 2 -1.334 -12.838 3.523 1.00 0.00 H new ATOM 0 HA THR A 2 -2.890 -10.303 4.107 1.00 0.00 H new ATOM 0 HB THR A 2 -3.515 -13.263 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.131 -12.942 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.753 -12.403 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.482 -11.681 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.202 -10.740 4.963 1.00 0.00 H new ATOM 33 N VAL A 3 -2.293 -10.362 6.532 1.00 0.00 N ATOM 34 CA VAL A 3 -1.693 -10.297 7.896 1.00 0.00 C ATOM 35 C VAL A 3 -2.406 -11.285 8.822 1.00 0.00 C ATOM 36 O VAL A 3 -3.556 -11.106 9.171 1.00 0.00 O ATOM 37 CB VAL A 3 -1.919 -8.859 8.362 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.272 -8.659 9.735 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.288 -7.893 7.357 1.00 0.00 C ATOM 0 H VAL A 3 -2.959 -9.620 6.315 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.635 -10.559 7.901 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.989 -8.664 8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.433 -7.633 10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.720 -9.347 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.202 -8.854 9.665 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.449 -6.867 7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.218 -8.088 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.747 -8.034 6.379 1.00 0.00 H new ATOM 49 N GLN A 4 -1.736 -12.334 9.215 1.00 0.00 N ATOM 50 CA GLN A 4 -2.382 -13.337 10.107 1.00 0.00 C ATOM 51 C GLN A 4 -1.765 -13.293 11.508 1.00 0.00 C ATOM 52 O GLN A 4 -0.581 -13.501 11.684 1.00 0.00 O ATOM 53 CB GLN A 4 -2.104 -14.688 9.441 1.00 0.00 C ATOM 54 CG GLN A 4 -2.670 -15.814 10.308 1.00 0.00 C ATOM 55 CD GLN A 4 -2.297 -17.167 9.698 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.164 -17.595 9.788 1.00 0.00 O ATOM 57 NE2 GLN A 4 -3.211 -17.862 9.077 1.00 0.00 N ATOM 0 H GLN A 4 -0.771 -12.539 8.957 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.448 -13.148 10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.557 -14.716 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.031 -14.824 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.276 -15.739 11.322 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.754 -15.722 10.380 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.162 -17.502 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.974 -18.765 8.667 1.00 0.00 H new ATOM 66 N ASP A 5 -2.566 -13.036 12.506 1.00 0.00 N ATOM 67 CA ASP A 5 -2.035 -12.991 13.900 1.00 0.00 C ATOM 68 C ASP A 5 -2.256 -14.346 14.577 1.00 0.00 C ATOM 69 O ASP A 5 -2.005 -14.515 15.754 1.00 0.00 O ATOM 70 CB ASP A 5 -2.844 -11.900 14.602 1.00 0.00 C ATOM 71 CG ASP A 5 -2.465 -10.533 14.028 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.535 -10.482 13.239 1.00 0.00 O ATOM 73 OD2 ASP A 5 -3.110 -9.563 14.387 1.00 0.00 O ATOM 0 H ASP A 5 -3.566 -12.855 12.417 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.966 -12.781 13.934 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.911 -12.080 14.467 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.650 -11.922 15.674 1.00 0.00 H new ATOM 78 N GLY A 6 -2.727 -15.312 13.836 1.00 0.00 N ATOM 79 CA GLY A 6 -2.969 -16.661 14.418 1.00 0.00 C ATOM 80 C GLY A 6 -3.409 -17.614 13.304 1.00 0.00 C ATOM 81 O GLY A 6 -2.891 -17.582 12.206 1.00 0.00 O ATOM 0 H GLY A 6 -2.956 -15.223 12.846 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.062 -17.033 14.895 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.736 -16.605 15.190 1.00 0.00 H new ATOM 85 N ASN A 7 -4.359 -18.465 13.578 1.00 0.00 N ATOM 86 CA ASN A 7 -4.828 -19.421 12.532 1.00 0.00 C ATOM 87 C ASN A 7 -5.793 -18.726 11.567 1.00 0.00 C ATOM 88 O ASN A 7 -6.341 -19.341 10.674 1.00 0.00 O ATOM 89 CB ASN A 7 -5.547 -20.528 13.303 1.00 0.00 C ATOM 90 CG ASN A 7 -4.565 -21.209 14.260 1.00 0.00 C ATOM 91 OD1 ASN A 7 -3.293 -21.215 13.975 1.00 0.00 O flip ATOM 92 ND2 ASN A 7 -4.961 -21.740 15.279 1.00 0.00 N flip ATOM 0 H ASN A 7 -4.831 -18.541 14.479 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.006 -19.808 11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.385 -20.111 13.862 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.960 -21.260 12.608 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.956 -21.736 15.503 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.298 -22.190 15.910 1.00 0.00 H new ATOM 99 N PHE A 8 -6.009 -17.449 11.740 1.00 0.00 N ATOM 100 CA PHE A 8 -6.942 -16.723 10.830 1.00 0.00 C ATOM 101 C PHE A 8 -6.214 -15.570 10.129 1.00 0.00 C ATOM 102 O PHE A 8 -5.539 -14.777 10.755 1.00 0.00 O ATOM 103 CB PHE A 8 -8.042 -16.184 11.746 1.00 0.00 C ATOM 104 CG PHE A 8 -8.695 -17.333 12.475 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.801 -17.981 11.912 1.00 0.00 C ATOM 106 CD2 PHE A 8 -8.194 -17.751 13.714 1.00 0.00 C ATOM 107 CE1 PHE A 8 -10.407 -19.046 12.589 1.00 0.00 C ATOM 108 CE2 PHE A 8 -8.800 -18.817 14.390 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.906 -19.465 13.827 1.00 0.00 C ATOM 0 H PHE A 8 -5.581 -16.879 12.470 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.340 -17.367 10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.621 -15.477 12.461 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.784 -15.641 11.161 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.187 -17.659 10.956 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.341 -17.251 14.148 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.262 -19.545 12.156 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.414 -19.139 15.346 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.373 -20.288 14.348 1.00 0.00 H new ATOM 119 N SER A 9 -6.352 -15.471 8.835 1.00 0.00 N ATOM 120 CA SER A 9 -5.671 -14.369 8.092 1.00 0.00 C ATOM 121 C SER A 9 -6.468 -13.068 8.228 1.00 0.00 C ATOM 122 O SER A 9 -7.671 -13.044 8.054 1.00 0.00 O ATOM 123 CB SER A 9 -5.645 -14.834 6.636 1.00 0.00 C ATOM 124 OG SER A 9 -4.889 -16.032 6.534 1.00 0.00 O ATOM 0 H SER A 9 -6.906 -16.105 8.259 1.00 0.00 H new ATOM 0 HA SER A 9 -4.670 -14.168 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.661 -15.001 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.208 -14.061 6.004 1.00 0.00 H new ATOM 0 HG SER A 9 -4.874 -16.331 5.601 1.00 0.00 H new ATOM 130 N PHE A 10 -5.808 -11.987 8.547 1.00 0.00 N ATOM 131 CA PHE A 10 -6.528 -10.690 8.703 1.00 0.00 C ATOM 132 C PHE A 10 -6.048 -9.678 7.658 1.00 0.00 C ATOM 133 O PHE A 10 -4.866 -9.450 7.495 1.00 0.00 O ATOM 134 CB PHE A 10 -6.171 -10.219 10.111 1.00 0.00 C ATOM 135 CG PHE A 10 -6.591 -11.275 11.105 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.813 -11.939 10.942 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.760 -11.592 12.186 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.205 -12.919 11.861 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.153 -12.573 13.104 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.375 -13.236 12.942 1.00 0.00 C ATOM 0 H PHE A 10 -4.801 -11.946 8.706 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.604 -10.794 8.562 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.099 -10.037 10.186 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.671 -9.276 10.330 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.453 -11.695 10.107 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.817 -11.080 12.312 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.148 -13.430 11.736 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.513 -12.819 13.938 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.677 -13.992 13.651 1.00 0.00 H new ATOM 150 N SER A 11 -6.959 -9.071 6.946 1.00 0.00 N ATOM 151 CA SER A 11 -6.559 -8.075 5.909 1.00 0.00 C ATOM 152 C SER A 11 -5.990 -6.816 6.571 1.00 0.00 C ATOM 153 O SER A 11 -6.188 -6.576 7.745 1.00 0.00 O ATOM 154 CB SER A 11 -7.848 -7.749 5.154 1.00 0.00 C ATOM 155 OG SER A 11 -8.430 -8.951 4.670 1.00 0.00 O ATOM 0 H SER A 11 -7.964 -9.222 7.037 1.00 0.00 H new ATOM 0 HA SER A 11 -5.784 -8.460 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.547 -7.233 5.812 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.635 -7.075 4.324 1.00 0.00 H new ATOM 0 HG SER A 11 -9.257 -8.743 4.187 1.00 0.00 H new ATOM 161 N LEU A 12 -5.280 -6.014 5.825 1.00 0.00 N ATOM 162 CA LEU A 12 -4.694 -4.772 6.408 1.00 0.00 C ATOM 163 C LEU A 12 -5.700 -3.621 6.322 1.00 0.00 C ATOM 164 O LEU A 12 -5.661 -2.686 7.098 1.00 0.00 O ATOM 165 CB LEU A 12 -3.464 -4.479 5.549 1.00 0.00 C ATOM 166 CG LEU A 12 -2.486 -5.655 5.640 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.908 -6.753 4.659 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.075 -5.177 5.289 1.00 0.00 C ATOM 0 H LEU A 12 -5.080 -6.165 4.836 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.438 -4.888 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.761 -4.318 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.980 -3.563 5.888 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.495 -6.052 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.211 -7.588 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.912 -7.097 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.902 -6.356 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.380 -6.014 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.068 -4.778 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.770 -4.398 5.988 1.00 0.00 H new ATOM 180 N GLU A 13 -6.599 -3.680 5.379 1.00 0.00 N ATOM 181 CA GLU A 13 -7.607 -2.590 5.238 1.00 0.00 C ATOM 182 C GLU A 13 -8.470 -2.498 6.500 1.00 0.00 C ATOM 183 O GLU A 13 -8.433 -1.516 7.214 1.00 0.00 O ATOM 184 CB GLU A 13 -8.459 -2.988 4.033 1.00 0.00 C ATOM 185 CG GLU A 13 -9.527 -1.917 3.792 1.00 0.00 C ATOM 186 CD GLU A 13 -10.406 -2.325 2.608 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.211 -3.416 2.100 1.00 0.00 O ATOM 188 OE2 GLU A 13 -11.260 -1.539 2.232 1.00 0.00 O ATOM 0 H GLU A 13 -6.680 -4.436 4.699 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.141 -1.614 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.831 -3.097 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.930 -3.955 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.139 -1.792 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.054 -0.956 3.592 1.00 0.00 H new ATOM 195 N SER A 14 -9.250 -3.506 6.779 1.00 0.00 N ATOM 196 CA SER A 14 -10.115 -3.461 7.994 1.00 0.00 C ATOM 197 C SER A 14 -9.328 -2.921 9.190 1.00 0.00 C ATOM 198 O SER A 14 -9.736 -1.975 9.831 1.00 0.00 O ATOM 199 CB SER A 14 -10.533 -4.908 8.247 1.00 0.00 C ATOM 200 OG SER A 14 -10.914 -5.515 7.021 1.00 0.00 O ATOM 0 H SER A 14 -9.327 -4.356 6.221 1.00 0.00 H new ATOM 0 HA SER A 14 -10.975 -2.806 7.855 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.709 -5.462 8.698 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.363 -4.939 8.953 1.00 0.00 H new ATOM 0 HG SER A 14 -11.498 -4.906 6.522 1.00 0.00 H new ATOM 206 N VAL A 15 -8.207 -3.515 9.500 1.00 0.00 N ATOM 207 CA VAL A 15 -7.407 -3.029 10.661 1.00 0.00 C ATOM 208 C VAL A 15 -6.963 -1.585 10.433 1.00 0.00 C ATOM 209 O VAL A 15 -7.115 -0.737 11.290 1.00 0.00 O ATOM 210 CB VAL A 15 -6.204 -3.968 10.733 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.702 -5.399 10.918 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.393 -3.877 9.439 1.00 0.00 C ATOM 0 H VAL A 15 -7.812 -4.313 9.002 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.978 -3.034 11.589 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.570 -3.682 11.572 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.850 -6.077 10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.278 -5.467 11.841 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.335 -5.676 10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.537 -4.549 9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.021 -4.162 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.042 -2.854 9.301 1.00 0.00 H new ATOM 222 N LYS A 16 -6.422 -1.291 9.284 1.00 0.00 N ATOM 223 CA LYS A 16 -5.986 0.106 9.017 1.00 0.00 C ATOM 224 C LYS A 16 -7.187 1.043 9.135 1.00 0.00 C ATOM 225 O LYS A 16 -7.177 1.989 9.899 1.00 0.00 O ATOM 226 CB LYS A 16 -5.457 0.086 7.586 1.00 0.00 C ATOM 227 CG LYS A 16 -4.835 1.441 7.253 1.00 0.00 C ATOM 228 CD LYS A 16 -4.561 1.512 5.751 1.00 0.00 C ATOM 229 CE LYS A 16 -3.395 0.584 5.406 1.00 0.00 C ATOM 230 NZ LYS A 16 -2.257 1.499 5.113 1.00 0.00 N ATOM 0 H LYS A 16 -6.264 -1.953 8.524 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.230 0.456 9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.715 -0.704 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.267 -0.135 6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.507 2.246 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.908 1.576 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.451 1.220 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.324 2.536 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.162 -0.084 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.630 -0.044 4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.363 0.970 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.367 1.895 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.245 2.272 5.809 1.00 0.00 H new ATOM 244 N LYS A 17 -8.228 0.779 8.395 1.00 0.00 N ATOM 245 CA LYS A 17 -9.437 1.642 8.473 1.00 0.00 C ATOM 246 C LYS A 17 -10.280 1.259 9.693 1.00 0.00 C ATOM 247 O LYS A 17 -11.374 1.753 9.879 1.00 0.00 O ATOM 248 CB LYS A 17 -10.208 1.364 7.181 1.00 0.00 C ATOM 249 CG LYS A 17 -9.303 1.626 5.977 1.00 0.00 C ATOM 250 CD LYS A 17 -8.963 3.115 5.908 1.00 0.00 C ATOM 251 CE LYS A 17 -8.232 3.411 4.597 1.00 0.00 C ATOM 252 NZ LYS A 17 -9.314 3.572 3.585 1.00 0.00 N ATOM 0 H LYS A 17 -8.292 0.001 7.739 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.185 2.697 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.557 0.331 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.092 2.000 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.390 1.037 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.801 1.313 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.874 3.710 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.339 3.396 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.627 4.314 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.557 2.598 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.040 3.092 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.194 3.153 3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.465 4.583 3.396 1.00 0.00 H new ATOM 266 N LEU A 18 -9.787 0.381 10.529 1.00 0.00 N ATOM 267 CA LEU A 18 -10.574 -0.021 11.730 1.00 0.00 C ATOM 268 C LEU A 18 -10.570 1.114 12.759 1.00 0.00 C ATOM 269 O LEU A 18 -11.514 1.293 13.502 1.00 0.00 O ATOM 270 CB LEU A 18 -9.872 -1.279 12.268 1.00 0.00 C ATOM 271 CG LEU A 18 -9.475 -1.087 13.736 1.00 0.00 C ATOM 272 CD1 LEU A 18 -10.723 -1.177 14.618 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.486 -2.181 14.146 1.00 0.00 C ATOM 0 H LEU A 18 -8.878 -0.072 10.432 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.620 -0.225 11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.534 -2.140 12.174 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.986 -1.491 11.670 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.009 -0.109 13.860 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.441 -1.041 15.662 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.430 -0.400 14.328 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.188 -2.155 14.492 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.204 -2.044 15.190 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.952 -3.158 14.021 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.596 -2.121 13.519 1.00 0.00 H new ATOM 285 N LYS A 19 -9.519 1.888 12.803 1.00 0.00 N ATOM 286 CA LYS A 19 -9.466 3.014 13.780 1.00 0.00 C ATOM 287 C LYS A 19 -10.673 3.933 13.576 1.00 0.00 C ATOM 288 O LYS A 19 -11.260 4.424 14.520 1.00 0.00 O ATOM 289 CB LYS A 19 -8.166 3.756 13.467 1.00 0.00 C ATOM 290 CG LYS A 19 -8.055 4.987 14.369 1.00 0.00 C ATOM 291 CD LYS A 19 -7.560 4.563 15.754 1.00 0.00 C ATOM 292 CE LYS A 19 -7.621 5.760 16.706 1.00 0.00 C ATOM 293 NZ LYS A 19 -7.008 6.884 15.943 1.00 0.00 N ATOM 0 H LYS A 19 -8.697 1.790 12.207 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.493 2.670 14.814 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.312 3.098 13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.149 4.056 12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.367 5.711 13.931 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.024 5.478 14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.174 3.748 16.138 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.538 4.189 15.688 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.648 5.988 16.990 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.073 5.561 17.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.438 7.470 16.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.399 6.502 15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.759 7.465 15.518 1.00 0.00 H new ATOM 307 N ASP A 20 -11.050 4.162 12.349 1.00 0.00 N ATOM 308 CA ASP A 20 -12.224 5.041 12.079 1.00 0.00 C ATOM 309 C ASP A 20 -13.377 4.209 11.516 1.00 0.00 C ATOM 310 O ASP A 20 -13.420 3.908 10.340 1.00 0.00 O ATOM 311 CB ASP A 20 -11.736 6.052 11.041 1.00 0.00 C ATOM 312 CG ASP A 20 -11.070 5.310 9.879 1.00 0.00 C ATOM 313 OD1 ASP A 20 -11.001 4.095 9.939 1.00 0.00 O ATOM 314 OD2 ASP A 20 -10.640 5.973 8.948 1.00 0.00 O ATOM 0 H ASP A 20 -10.596 3.778 11.520 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.591 5.532 12.980 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.573 6.646 10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.029 6.745 11.497 1.00 0.00 H new ATOM 319 N LEU A 21 -14.309 3.827 12.346 1.00 0.00 N ATOM 320 CA LEU A 21 -15.452 3.009 11.851 1.00 0.00 C ATOM 321 C LEU A 21 -16.502 3.902 11.187 1.00 0.00 C ATOM 322 O LEU A 21 -17.149 4.702 11.831 1.00 0.00 O ATOM 323 CB LEU A 21 -16.029 2.338 13.096 1.00 0.00 C ATOM 324 CG LEU A 21 -16.659 1.001 12.703 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.615 1.215 11.528 1.00 0.00 C ATOM 326 CD2 LEU A 21 -15.557 0.023 12.290 1.00 0.00 C ATOM 0 H LEU A 21 -14.328 4.045 13.342 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.140 2.281 11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.244 2.180 13.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.776 2.983 13.558 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.210 0.594 13.551 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.065 0.263 11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.399 1.914 11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.064 1.620 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.004 -0.931 12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.008 0.431 11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.873 -0.128 13.125 1.00 0.00 H new ATOM 338 N GLN A 22 -16.678 3.765 9.901 1.00 0.00 N ATOM 339 CA GLN A 22 -17.688 4.600 9.194 1.00 0.00 C ATOM 340 C GLN A 22 -18.386 3.771 8.113 1.00 0.00 C ATOM 341 O GLN A 22 -17.752 3.056 7.362 1.00 0.00 O ATOM 342 CB GLN A 22 -16.889 5.744 8.568 1.00 0.00 C ATOM 343 CG GLN A 22 -16.250 6.582 9.678 1.00 0.00 C ATOM 344 CD GLN A 22 -15.459 7.735 9.058 1.00 0.00 C ATOM 345 OE1 GLN A 22 -15.210 7.745 7.869 1.00 0.00 O ATOM 346 NE2 GLN A 22 -15.051 8.714 9.818 1.00 0.00 N ATOM 0 H GLN A 22 -16.165 3.111 9.310 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.465 4.970 9.863 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.118 5.346 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.542 6.367 7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.021 6.972 10.343 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.591 5.960 10.284 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.260 8.706 10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.523 9.488 9.414 1.00 0.00 H new ATOM 355 N GLU A 23 -19.686 3.855 8.036 1.00 0.00 N ATOM 356 CA GLU A 23 -20.432 3.067 7.011 1.00 0.00 C ATOM 357 C GLU A 23 -20.173 1.567 7.205 1.00 0.00 C ATOM 358 O GLU A 23 -19.050 1.158 7.421 1.00 0.00 O ATOM 359 CB GLU A 23 -19.880 3.537 5.663 1.00 0.00 C ATOM 360 CG GLU A 23 -20.328 4.977 5.402 1.00 0.00 C ATOM 361 CD GLU A 23 -20.582 5.168 3.906 1.00 0.00 C ATOM 362 OE1 GLU A 23 -21.679 4.859 3.467 1.00 0.00 O ATOM 363 OE2 GLU A 23 -19.678 5.621 3.224 1.00 0.00 O ATOM 0 H GLU A 23 -20.266 4.437 8.640 1.00 0.00 H new ATOM 0 HA GLU A 23 -21.509 3.216 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.792 3.478 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -20.235 2.884 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -21.235 5.195 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.564 5.675 5.744 1.00 0.00 H new ATOM 370 N PRO A 24 -21.226 0.792 7.121 1.00 0.00 N ATOM 371 CA PRO A 24 -21.107 -0.676 7.291 1.00 0.00 C ATOM 372 C PRO A 24 -20.199 -1.270 6.211 1.00 0.00 C ATOM 373 O PRO A 24 -20.042 -0.712 5.143 1.00 0.00 O ATOM 374 CB PRO A 24 -22.553 -1.151 7.119 1.00 0.00 C ATOM 375 CG PRO A 24 -23.451 0.075 6.856 1.00 0.00 C ATOM 376 CD PRO A 24 -22.577 1.336 6.855 1.00 0.00 C ATOM 0 HA PRO A 24 -20.667 -0.974 8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -22.623 -1.855 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -22.886 -1.678 8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -23.963 -0.030 5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -24.221 0.150 7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.622 1.860 5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.887 2.045 7.623 1.00 0.00 H new ATOM 384 N GLN A 25 -19.601 -2.397 6.480 1.00 0.00 N ATOM 385 CA GLN A 25 -18.704 -3.024 5.467 1.00 0.00 C ATOM 386 C GLN A 25 -17.597 -2.044 5.063 1.00 0.00 C ATOM 387 O GLN A 25 -17.299 -1.105 5.773 1.00 0.00 O ATOM 388 CB GLN A 25 -19.609 -3.334 4.275 1.00 0.00 C ATOM 389 CG GLN A 25 -20.710 -4.303 4.711 1.00 0.00 C ATOM 390 CD GLN A 25 -21.666 -4.550 3.542 1.00 0.00 C ATOM 391 OE1 GLN A 25 -21.679 -3.802 2.584 1.00 0.00 O ATOM 392 NE2 GLN A 25 -22.472 -5.575 3.579 1.00 0.00 N ATOM 0 H GLN A 25 -19.694 -2.911 7.356 1.00 0.00 H new ATOM 0 HA GLN A 25 -18.212 -3.919 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -20.050 -2.414 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -19.025 -3.771 3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.271 -5.245 5.040 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -21.256 -3.892 5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -22.462 -6.203 4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -23.113 -5.748 2.804 1.00 0.00 H new ATOM 401 N GLU A 26 -16.987 -2.257 3.929 1.00 0.00 N ATOM 402 CA GLU A 26 -15.901 -1.337 3.484 1.00 0.00 C ATOM 403 C GLU A 26 -16.392 -0.459 2.326 1.00 0.00 C ATOM 404 O GLU A 26 -16.608 -0.944 1.233 1.00 0.00 O ATOM 405 CB GLU A 26 -14.773 -2.256 3.016 1.00 0.00 C ATOM 406 CG GLU A 26 -14.377 -3.200 4.154 1.00 0.00 C ATOM 407 CD GLU A 26 -13.441 -4.284 3.615 1.00 0.00 C ATOM 408 OE1 GLU A 26 -13.476 -4.529 2.421 1.00 0.00 O ATOM 409 OE2 GLU A 26 -12.705 -4.850 4.407 1.00 0.00 O ATOM 0 H GLU A 26 -17.193 -3.027 3.292 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.578 -0.664 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.095 -2.831 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.913 -1.664 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.884 -2.641 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.266 -3.656 4.589 1.00 0.00 H new ATOM 416 N PRO A 27 -16.552 0.811 2.602 1.00 0.00 N ATOM 417 CA PRO A 27 -17.020 1.765 1.571 1.00 0.00 C ATOM 418 C PRO A 27 -16.030 1.823 0.404 1.00 0.00 C ATOM 419 O PRO A 27 -16.384 2.163 -0.708 1.00 0.00 O ATOM 420 CB PRO A 27 -17.055 3.093 2.332 1.00 0.00 C ATOM 421 CG PRO A 27 -16.602 2.844 3.784 1.00 0.00 C ATOM 422 CD PRO A 27 -16.275 1.355 3.952 1.00 0.00 C ATOM 0 HA PRO A 27 -17.980 1.498 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -16.401 3.821 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -18.062 3.511 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.727 3.451 4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -17.387 3.139 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.238 1.198 4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.898 0.886 4.714 1.00 0.00 H new ATOM 430 N ARG A 28 -14.792 1.491 0.648 1.00 0.00 N ATOM 431 CA ARG A 28 -13.781 1.526 -0.447 1.00 0.00 C ATOM 432 C ARG A 28 -13.083 0.167 -0.563 1.00 0.00 C ATOM 433 O ARG A 28 -12.876 -0.521 0.416 1.00 0.00 O ATOM 434 CB ARG A 28 -12.782 2.608 -0.032 1.00 0.00 C ATOM 435 CG ARG A 28 -13.472 3.974 -0.051 1.00 0.00 C ATOM 436 CD ARG A 28 -12.452 5.065 0.277 1.00 0.00 C ATOM 437 NE ARG A 28 -11.518 5.076 -0.883 1.00 0.00 N ATOM 438 CZ ARG A 28 -11.735 5.878 -1.889 1.00 0.00 C ATOM 439 NH1 ARG A 28 -11.975 5.389 -3.073 1.00 0.00 N ATOM 440 NH2 ARG A 28 -11.713 7.171 -1.709 1.00 0.00 N ATOM 0 H ARG A 28 -14.437 1.197 1.558 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.230 1.738 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.395 2.398 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.929 2.610 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.913 4.157 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.286 3.992 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.936 6.033 0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.926 4.847 1.206 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.708 4.456 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.993 4.379 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.145 6.016 -3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.526 7.554 -0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.883 7.798 -2.495 1.00 0.00 H new ATOM 454 N VAL A 29 -12.721 -0.225 -1.754 1.00 0.00 N ATOM 455 CA VAL A 29 -12.039 -1.540 -1.930 1.00 0.00 C ATOM 456 C VAL A 29 -10.626 -1.335 -2.481 1.00 0.00 C ATOM 457 O VAL A 29 -10.413 -0.574 -3.405 1.00 0.00 O ATOM 458 CB VAL A 29 -12.903 -2.301 -2.937 1.00 0.00 C ATOM 459 CG1 VAL A 29 -12.363 -3.724 -3.098 1.00 0.00 C ATOM 460 CG2 VAL A 29 -14.346 -2.356 -2.432 1.00 0.00 C ATOM 0 H VAL A 29 -12.867 0.307 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.936 -2.081 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.875 -1.791 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.978 -4.267 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.335 -3.684 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.391 -4.235 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.962 -2.898 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.375 -2.867 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.730 -1.342 -2.317 1.00 0.00 H new ATOM 470 N GLY A 30 -9.657 -2.007 -1.923 1.00 0.00 N ATOM 471 CA GLY A 30 -8.260 -1.851 -2.416 1.00 0.00 C ATOM 472 C GLY A 30 -7.308 -2.643 -1.517 1.00 0.00 C ATOM 473 O GLY A 30 -7.012 -2.248 -0.407 1.00 0.00 O ATOM 0 H GLY A 30 -9.773 -2.658 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.185 -2.205 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.980 -0.797 -2.420 1.00 0.00 H new ATOM 477 N LYS A 31 -6.825 -3.760 -1.990 1.00 0.00 N ATOM 478 CA LYS A 31 -5.891 -4.577 -1.162 1.00 0.00 C ATOM 479 C LYS A 31 -4.635 -3.766 -0.829 1.00 0.00 C ATOM 480 O LYS A 31 -4.004 -3.974 0.187 1.00 0.00 O ATOM 481 CB LYS A 31 -5.534 -5.778 -2.037 1.00 0.00 C ATOM 482 CG LYS A 31 -6.780 -6.636 -2.264 1.00 0.00 C ATOM 483 CD LYS A 31 -6.393 -7.900 -3.033 1.00 0.00 C ATOM 484 CE LYS A 31 -7.649 -8.725 -3.322 1.00 0.00 C ATOM 485 NZ LYS A 31 -7.782 -9.638 -2.153 1.00 0.00 N ATOM 0 H LYS A 31 -7.036 -4.142 -2.912 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.336 -4.880 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.135 -5.439 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.754 -6.371 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.231 -6.902 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.527 -6.072 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.897 -7.633 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.683 -8.489 -2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.526 -8.086 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.549 -9.285 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.622 -10.239 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.935 -10.237 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.882 -9.076 -1.283 1.00 0.00 H new ATOM 499 N LEU A 32 -4.267 -2.849 -1.681 1.00 0.00 N ATOM 500 CA LEU A 32 -3.049 -2.031 -1.414 1.00 0.00 C ATOM 501 C LEU A 32 -3.425 -0.731 -0.697 1.00 0.00 C ATOM 502 O LEU A 32 -4.278 0.012 -1.139 1.00 0.00 O ATOM 503 CB LEU A 32 -2.462 -1.734 -2.795 1.00 0.00 C ATOM 504 CG LEU A 32 -2.213 -3.050 -3.536 1.00 0.00 C ATOM 505 CD1 LEU A 32 -1.465 -2.767 -4.840 1.00 0.00 C ATOM 506 CD2 LEU A 32 -1.371 -3.978 -2.658 1.00 0.00 C ATOM 0 H LEU A 32 -4.756 -2.631 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.338 -2.549 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.146 -1.106 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.529 -1.179 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.167 -3.527 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.287 -3.704 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.063 -2.105 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.511 -2.290 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.193 -4.915 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.417 -3.501 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.902 -4.180 -1.728 1.00 0.00 H new ATOM 518 N ARG A 33 -2.790 -0.453 0.408 1.00 0.00 N ATOM 519 CA ARG A 33 -3.102 0.797 1.160 1.00 0.00 C ATOM 520 C ARG A 33 -1.822 1.350 1.797 1.00 0.00 C ATOM 521 O ARG A 33 -0.892 0.617 2.068 1.00 0.00 O ATOM 522 CB ARG A 33 -4.108 0.371 2.231 1.00 0.00 C ATOM 523 CG ARG A 33 -5.441 0.028 1.561 1.00 0.00 C ATOM 524 CD ARG A 33 -6.486 -0.285 2.633 1.00 0.00 C ATOM 525 NE ARG A 33 -7.678 -0.760 1.875 1.00 0.00 N ATOM 526 CZ ARG A 33 -8.279 0.037 1.035 1.00 0.00 C ATOM 527 NH1 ARG A 33 -7.992 1.310 1.023 1.00 0.00 N ATOM 528 NH2 ARG A 33 -9.168 -0.441 0.207 1.00 0.00 N ATOM 0 H ARG A 33 -2.066 -1.039 0.824 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.505 1.584 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.730 -0.492 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.247 1.173 2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.776 0.862 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.317 -0.828 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.127 -1.047 3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.721 0.599 3.227 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.024 -1.709 2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.297 1.682 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.462 1.933 0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.392 -1.436 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.639 0.181 -0.450 1.00 0.00 H new ATOM 542 N ASN A 34 -1.756 2.634 2.027 1.00 0.00 N ATOM 543 CA ASN A 34 -0.520 3.211 2.633 1.00 0.00 C ATOM 544 C ASN A 34 -0.862 4.230 3.726 1.00 0.00 C ATOM 545 O ASN A 34 -0.049 5.058 4.085 1.00 0.00 O ATOM 546 CB ASN A 34 0.204 3.895 1.472 1.00 0.00 C ATOM 547 CG ASN A 34 0.528 2.860 0.393 1.00 0.00 C ATOM 548 OD1 ASN A 34 0.808 1.717 0.695 1.00 0.00 O ATOM 549 ND2 ASN A 34 0.500 3.214 -0.863 1.00 0.00 N ATOM 0 H ASN A 34 -2.498 3.304 1.824 1.00 0.00 H new ATOM 0 HA ASN A 34 0.091 2.445 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.419 4.687 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.121 4.365 1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.713 2.531 -1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.265 4.173 -1.117 1.00 0.00 H new ATOM 556 N PHE A 35 -2.048 4.176 4.265 1.00 0.00 N ATOM 557 CA PHE A 35 -2.414 5.144 5.340 1.00 0.00 C ATOM 558 C PHE A 35 -1.984 4.588 6.700 1.00 0.00 C ATOM 559 O PHE A 35 -2.357 3.497 7.078 1.00 0.00 O ATOM 560 CB PHE A 35 -3.936 5.276 5.267 1.00 0.00 C ATOM 561 CG PHE A 35 -4.399 6.292 6.284 1.00 0.00 C ATOM 562 CD1 PHE A 35 -4.724 5.883 7.583 1.00 0.00 C ATOM 563 CD2 PHE A 35 -4.505 7.642 5.927 1.00 0.00 C ATOM 564 CE1 PHE A 35 -5.153 6.825 8.525 1.00 0.00 C ATOM 565 CE2 PHE A 35 -4.935 8.583 6.870 1.00 0.00 C ATOM 566 CZ PHE A 35 -5.259 8.175 8.169 1.00 0.00 C ATOM 0 H PHE A 35 -2.776 3.509 4.011 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.925 6.110 5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.238 5.583 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.406 4.311 5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.644 4.842 7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.255 7.957 4.925 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.403 6.510 9.528 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.017 9.624 6.595 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.591 8.901 8.896 1.00 0.00 H new ATOM 576 N ALA A 36 -1.197 5.327 7.434 1.00 0.00 N ATOM 577 CA ALA A 36 -0.736 4.835 8.765 1.00 0.00 C ATOM 578 C ALA A 36 -1.827 5.041 9.824 1.00 0.00 C ATOM 579 O ALA A 36 -2.160 6.161 10.157 1.00 0.00 O ATOM 580 CB ALA A 36 0.492 5.686 9.094 1.00 0.00 C ATOM 0 H ALA A 36 -0.853 6.250 7.170 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.509 3.769 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.894 5.386 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.251 5.541 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.207 6.738 9.129 1.00 0.00 H new ATOM 586 N PRO A 37 -2.346 3.947 10.325 1.00 0.00 N ATOM 587 CA PRO A 37 -3.407 4.006 11.360 1.00 0.00 C ATOM 588 C PRO A 37 -2.858 4.617 12.654 1.00 0.00 C ATOM 589 O PRO A 37 -1.980 5.458 12.632 1.00 0.00 O ATOM 590 CB PRO A 37 -3.759 2.528 11.562 1.00 0.00 C ATOM 591 CG PRO A 37 -2.877 1.677 10.629 1.00 0.00 C ATOM 592 CD PRO A 37 -1.908 2.602 9.883 1.00 0.00 C ATOM 0 HA PRO A 37 -4.262 4.620 11.078 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.598 2.240 12.601 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.813 2.358 11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.323 0.936 11.206 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.497 1.129 9.919 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.870 2.404 10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.986 2.485 8.802 1.00 0.00 H new ATOM 600 N ILE A 38 -3.366 4.198 13.781 1.00 0.00 N ATOM 601 CA ILE A 38 -2.872 4.748 15.075 1.00 0.00 C ATOM 602 C ILE A 38 -2.599 3.605 16.057 1.00 0.00 C ATOM 603 O ILE A 38 -3.405 3.326 16.924 1.00 0.00 O ATOM 604 CB ILE A 38 -4.005 5.637 15.585 1.00 0.00 C ATOM 605 CG1 ILE A 38 -4.043 6.932 14.772 1.00 0.00 C ATOM 606 CG2 ILE A 38 -3.770 5.970 17.060 1.00 0.00 C ATOM 607 CD1 ILE A 38 -4.680 6.659 13.407 1.00 0.00 C ATOM 0 H ILE A 38 -4.103 3.497 13.861 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.941 5.303 14.964 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.954 5.111 15.478 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.613 7.692 15.306 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.034 7.323 14.643 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.579 6.604 17.423 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.743 5.048 17.641 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.821 6.495 17.168 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.707 7.582 12.827 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.091 5.913 12.874 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.695 6.288 13.547 1.00 0.00 H new ATOM 619 N PRO A 39 -1.467 2.974 15.885 1.00 0.00 N ATOM 620 CA PRO A 39 -1.076 1.843 16.760 1.00 0.00 C ATOM 621 C PRO A 39 -0.969 2.299 18.218 1.00 0.00 C ATOM 622 O PRO A 39 -0.658 3.439 18.501 1.00 0.00 O ATOM 623 CB PRO A 39 0.294 1.446 16.204 1.00 0.00 C ATOM 624 CG PRO A 39 0.637 2.372 15.020 1.00 0.00 C ATOM 625 CD PRO A 39 -0.520 3.359 14.813 1.00 0.00 C ATOM 0 HA PRO A 39 -1.794 1.023 16.761 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.055 1.528 16.980 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.282 0.406 15.879 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.563 2.912 15.219 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.799 1.785 14.116 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.193 4.394 14.913 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.966 3.260 13.823 1.00 0.00 H new ATOM 633 N GLY A 40 -1.225 1.416 19.145 1.00 0.00 N ATOM 634 CA GLY A 40 -1.140 1.799 20.582 1.00 0.00 C ATOM 635 C GLY A 40 -2.530 2.186 21.086 1.00 0.00 C ATOM 636 O GLY A 40 -2.679 2.780 22.136 1.00 0.00 O ATOM 0 H GLY A 40 -1.489 0.447 18.969 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.746 0.969 21.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.450 2.633 20.707 1.00 0.00 H new ATOM 640 N GLU A 41 -3.553 1.854 20.346 1.00 0.00 N ATOM 641 CA GLU A 41 -4.934 2.203 20.784 1.00 0.00 C ATOM 642 C GLU A 41 -5.733 0.929 21.076 1.00 0.00 C ATOM 643 O GLU A 41 -6.125 0.226 20.166 1.00 0.00 O ATOM 644 CB GLU A 41 -5.542 2.958 19.601 1.00 0.00 C ATOM 645 CG GLU A 41 -5.313 4.459 19.783 1.00 0.00 C ATOM 646 CD GLU A 41 -5.939 4.915 21.103 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.156 4.935 21.182 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.190 5.237 22.011 1.00 0.00 O ATOM 0 H GLU A 41 -3.492 1.356 19.458 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.942 2.799 21.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.089 2.620 18.669 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.609 2.748 19.531 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.245 4.678 19.780 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.753 5.008 18.951 1.00 0.00 H new ATOM 655 N PRO A 42 -5.950 0.672 22.340 1.00 0.00 N ATOM 656 CA PRO A 42 -6.711 -0.530 22.755 1.00 0.00 C ATOM 657 C PRO A 42 -8.131 -0.487 22.187 1.00 0.00 C ATOM 658 O PRO A 42 -8.732 0.563 22.071 1.00 0.00 O ATOM 659 CB PRO A 42 -6.721 -0.410 24.282 1.00 0.00 C ATOM 660 CG PRO A 42 -5.957 0.868 24.683 1.00 0.00 C ATOM 661 CD PRO A 42 -5.452 1.563 23.413 1.00 0.00 C ATOM 0 HA PRO A 42 -6.281 -1.467 22.402 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.746 -0.369 24.651 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.255 -1.286 24.733 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.609 1.537 25.245 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.120 0.618 25.334 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.849 2.574 23.318 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.365 1.645 23.400 1.00 0.00 H new ATOM 669 N VAL A 43 -8.671 -1.619 21.828 1.00 0.00 N ATOM 670 CA VAL A 43 -10.050 -1.641 21.264 1.00 0.00 C ATOM 671 C VAL A 43 -10.759 -2.941 21.650 1.00 0.00 C ATOM 672 O VAL A 43 -11.250 -3.663 20.805 1.00 0.00 O ATOM 673 CB VAL A 43 -9.858 -1.566 19.749 1.00 0.00 C ATOM 674 CG1 VAL A 43 -11.222 -1.447 19.066 1.00 0.00 C ATOM 675 CG2 VAL A 43 -9.008 -0.344 19.401 1.00 0.00 C ATOM 0 H VAL A 43 -8.217 -2.530 21.901 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.663 -0.822 21.640 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.355 -2.469 19.403 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.085 -1.394 17.986 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.829 -2.318 19.312 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.725 -0.544 19.413 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.872 -0.291 18.321 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.510 0.559 19.748 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.035 -0.427 19.886 1.00 0.00 H new ATOM 685 N VAL A 44 -10.814 -3.246 22.917 1.00 0.00 N ATOM 686 CA VAL A 44 -11.491 -4.504 23.347 1.00 0.00 C ATOM 687 C VAL A 44 -11.853 -4.445 24.835 1.00 0.00 C ATOM 688 O VAL A 44 -11.225 -5.092 25.650 1.00 0.00 O ATOM 689 CB VAL A 44 -10.465 -5.611 23.092 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.878 -6.875 23.849 1.00 0.00 C ATOM 691 CG2 VAL A 44 -10.402 -5.915 21.594 1.00 0.00 C ATOM 0 H VAL A 44 -10.422 -2.682 23.671 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.422 -4.670 22.806 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.485 -5.282 23.438 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.147 -7.663 23.667 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.923 -6.661 24.917 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.858 -7.202 23.503 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.671 -6.703 21.413 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.382 -6.242 21.248 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.108 -5.016 21.052 1.00 0.00 H new ATOM 701 N PRO A 45 -12.867 -3.680 25.141 1.00 0.00 N ATOM 702 CA PRO A 45 -13.329 -3.552 26.544 1.00 0.00 C ATOM 703 C PRO A 45 -13.782 -4.920 27.062 1.00 0.00 C ATOM 704 O PRO A 45 -13.521 -5.291 28.189 1.00 0.00 O ATOM 705 CB PRO A 45 -14.510 -2.585 26.421 1.00 0.00 C ATOM 706 CG PRO A 45 -14.679 -2.195 24.938 1.00 0.00 C ATOM 707 CD PRO A 45 -13.601 -2.909 24.112 1.00 0.00 C ATOM 0 HA PRO A 45 -12.566 -3.200 27.239 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.421 -3.052 26.795 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.335 -1.696 27.028 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.672 -2.475 24.585 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.591 -1.115 24.820 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.036 -3.558 23.352 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.952 -2.203 23.595 1.00 0.00 H new ATOM 715 N ILE A 46 -14.445 -5.674 26.230 1.00 0.00 N ATOM 716 CA ILE A 46 -14.910 -7.031 26.635 1.00 0.00 C ATOM 717 C ILE A 46 -14.914 -7.924 25.398 1.00 0.00 C ATOM 718 O ILE A 46 -14.534 -9.077 25.437 1.00 0.00 O ATOM 719 CB ILE A 46 -16.327 -6.830 27.175 1.00 0.00 C ATOM 720 CG1 ILE A 46 -17.296 -6.614 26.011 1.00 0.00 C ATOM 721 CG2 ILE A 46 -16.353 -5.607 28.092 1.00 0.00 C ATOM 722 CD1 ILE A 46 -18.720 -6.476 26.552 1.00 0.00 C ATOM 0 H ILE A 46 -14.687 -5.405 25.276 1.00 0.00 H new ATOM 0 HA ILE A 46 -14.275 -7.501 27.386 1.00 0.00 H new ATOM 0 HB ILE A 46 -16.628 -7.714 27.736 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.019 -5.719 25.454 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -17.239 -7.452 25.316 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -17.362 -5.463 28.477 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -15.666 -5.761 28.924 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -16.050 -4.724 27.530 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -19.411 -6.322 25.723 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -18.995 -7.384 27.089 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.771 -5.624 27.230 1.00 0.00 H new ATOM 734 N LEU A 47 -15.321 -7.373 24.289 1.00 0.00 N ATOM 735 CA LEU A 47 -15.337 -8.141 23.018 1.00 0.00 C ATOM 736 C LEU A 47 -14.656 -7.296 21.934 1.00 0.00 C ATOM 737 O LEU A 47 -13.482 -6.997 22.024 1.00 0.00 O ATOM 738 CB LEU A 47 -16.818 -8.369 22.706 1.00 0.00 C ATOM 739 CG LEU A 47 -16.973 -9.619 21.836 1.00 0.00 C ATOM 740 CD1 LEU A 47 -15.930 -9.602 20.716 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.769 -10.866 22.698 1.00 0.00 C ATOM 0 H LEU A 47 -15.647 -6.410 24.211 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.807 -9.092 23.075 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.381 -8.486 23.632 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.229 -7.501 22.190 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.972 -9.633 21.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -16.044 -10.493 20.099 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.072 -8.714 20.100 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -14.930 -9.586 21.150 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.879 -11.757 22.080 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.770 -10.848 23.134 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.512 -10.883 23.495 1.00 0.00 H new ATOM 753 N CYS A 48 -15.370 -6.896 20.919 1.00 0.00 N ATOM 754 CA CYS A 48 -14.743 -6.062 19.854 1.00 0.00 C ATOM 755 C CYS A 48 -15.386 -4.671 19.838 1.00 0.00 C ATOM 756 O CYS A 48 -16.566 -4.525 19.590 1.00 0.00 O ATOM 757 CB CYS A 48 -15.028 -6.807 18.550 1.00 0.00 C ATOM 758 SG CYS A 48 -14.138 -8.383 18.555 1.00 0.00 S ATOM 0 H CYS A 48 -16.358 -7.109 20.780 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.674 -5.917 20.009 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.099 -6.981 18.444 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.717 -6.203 17.697 1.00 0.00 H new ATOM 763 N SER A 49 -14.622 -3.651 20.117 1.00 0.00 N ATOM 764 CA SER A 49 -15.187 -2.271 20.134 1.00 0.00 C ATOM 765 C SER A 49 -15.883 -1.944 18.811 1.00 0.00 C ATOM 766 O SER A 49 -17.050 -1.613 18.780 1.00 0.00 O ATOM 767 CB SER A 49 -13.985 -1.353 20.342 1.00 0.00 C ATOM 768 OG SER A 49 -14.426 -0.098 20.839 1.00 0.00 O ATOM 0 H SER A 49 -13.627 -3.714 20.335 1.00 0.00 H new ATOM 0 HA SER A 49 -15.938 -2.154 20.915 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.284 -1.807 21.043 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.452 -1.216 19.401 1.00 0.00 H new ATOM 0 HG SER A 49 -13.654 0.490 20.974 1.00 0.00 H new ATOM 774 N ASN A 50 -15.172 -2.021 17.723 1.00 0.00 N ATOM 775 CA ASN A 50 -15.787 -1.702 16.401 1.00 0.00 C ATOM 776 C ASN A 50 -16.604 -2.890 15.878 1.00 0.00 C ATOM 777 O ASN A 50 -16.051 -3.923 15.551 1.00 0.00 O ATOM 778 CB ASN A 50 -14.602 -1.423 15.477 1.00 0.00 C ATOM 779 CG ASN A 50 -14.188 0.042 15.611 1.00 0.00 C ATOM 780 OD1 ASN A 50 -13.503 0.604 14.654 1.00 0.00 O flip ATOM 781 ND2 ASN A 50 -14.491 0.684 16.597 1.00 0.00 N flip ATOM 0 H ASN A 50 -14.189 -2.291 17.689 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.473 -0.857 16.464 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.766 -2.074 15.733 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.872 -1.643 14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.027 0.246 17.346 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.210 1.661 16.676 1.00 0.00 H new ATOM 788 N PRO A 51 -17.898 -2.705 15.806 1.00 0.00 N ATOM 789 CA PRO A 51 -18.797 -3.773 15.310 1.00 0.00 C ATOM 790 C PRO A 51 -18.526 -4.050 13.828 1.00 0.00 C ATOM 791 O PRO A 51 -18.976 -5.036 13.277 1.00 0.00 O ATOM 792 CB PRO A 51 -20.187 -3.159 15.503 1.00 0.00 C ATOM 793 CG PRO A 51 -20.026 -1.749 16.103 1.00 0.00 C ATOM 794 CD PRO A 51 -18.530 -1.429 16.219 1.00 0.00 C ATOM 0 HA PRO A 51 -18.672 -4.726 15.823 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.712 -3.106 14.549 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.788 -3.784 16.163 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.522 -1.011 15.472 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.500 -1.700 17.083 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.240 -0.603 15.570 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.252 -1.148 17.235 1.00 0.00 H new ATOM 802 N ASN A 52 -17.798 -3.184 13.178 1.00 0.00 N ATOM 803 CA ASN A 52 -17.504 -3.392 11.730 1.00 0.00 C ATOM 804 C ASN A 52 -16.002 -3.592 11.512 1.00 0.00 C ATOM 805 O ASN A 52 -15.495 -3.413 10.422 1.00 0.00 O ATOM 806 CB ASN A 52 -17.981 -2.113 11.046 1.00 0.00 C ATOM 807 CG ASN A 52 -19.471 -1.910 11.329 1.00 0.00 C ATOM 808 OD1 ASN A 52 -19.889 -0.835 11.711 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.296 -2.907 11.157 1.00 0.00 N ATOM 0 H ASN A 52 -17.394 -2.341 13.586 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.998 -4.278 11.332 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.411 -1.258 11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.809 -2.176 9.972 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.291 -2.783 11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.945 -3.810 10.836 1.00 0.00 H new ATOM 816 N PHE A 53 -15.289 -3.977 12.535 1.00 0.00 N ATOM 817 CA PHE A 53 -13.823 -4.204 12.375 1.00 0.00 C ATOM 818 C PHE A 53 -13.599 -5.574 11.738 1.00 0.00 C ATOM 819 O PHE A 53 -14.541 -6.315 11.543 1.00 0.00 O ATOM 820 CB PHE A 53 -13.248 -4.155 13.799 1.00 0.00 C ATOM 821 CG PHE A 53 -13.348 -5.518 14.453 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.590 -6.157 14.553 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.198 -6.140 14.968 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.684 -7.414 15.161 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.295 -7.400 15.578 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.539 -8.035 15.673 1.00 0.00 C ATOM 0 H PHE A 53 -15.656 -4.144 13.472 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.344 -3.464 11.734 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.207 -3.835 13.767 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.790 -3.419 14.392 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.476 -5.680 14.161 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.239 -5.648 14.894 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.643 -7.906 15.235 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.412 -7.879 15.973 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.615 -9.005 16.142 1.00 0.00 H new ATOM 836 N PRO A 54 -12.366 -5.879 11.440 1.00 0.00 N ATOM 837 CA PRO A 54 -12.048 -7.187 10.835 1.00 0.00 C ATOM 838 C PRO A 54 -12.541 -8.295 11.764 1.00 0.00 C ATOM 839 O PRO A 54 -11.776 -8.919 12.470 1.00 0.00 O ATOM 840 CB PRO A 54 -10.520 -7.152 10.737 1.00 0.00 C ATOM 841 CG PRO A 54 -10.024 -5.798 11.288 1.00 0.00 C ATOM 842 CD PRO A 54 -11.239 -4.954 11.694 1.00 0.00 C ATOM 0 HA PRO A 54 -12.514 -7.373 9.867 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.085 -7.974 11.305 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.204 -7.278 9.701 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.371 -5.956 12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.437 -5.275 10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.191 -4.649 12.739 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.318 -4.044 11.100 1.00 0.00 H new ATOM 850 N GLU A 55 -13.827 -8.520 11.780 1.00 0.00 N ATOM 851 CA GLU A 55 -14.398 -9.562 12.675 1.00 0.00 C ATOM 852 C GLU A 55 -13.487 -10.786 12.710 1.00 0.00 C ATOM 853 O GLU A 55 -13.419 -11.488 13.699 1.00 0.00 O ATOM 854 CB GLU A 55 -15.757 -9.895 12.066 1.00 0.00 C ATOM 855 CG GLU A 55 -16.504 -10.864 12.984 1.00 0.00 C ATOM 856 CD GLU A 55 -17.846 -11.232 12.351 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.116 -10.753 11.262 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.582 -11.986 12.964 1.00 0.00 O ATOM 0 H GLU A 55 -14.509 -8.023 11.207 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.493 -9.225 13.707 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.340 -8.984 11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.626 -10.340 11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.907 -11.762 13.146 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.663 -10.407 13.961 1.00 0.00 H new ATOM 865 N GLU A 56 -12.763 -11.039 11.655 1.00 0.00 N ATOM 866 CA GLU A 56 -11.840 -12.206 11.671 1.00 0.00 C ATOM 867 C GLU A 56 -10.949 -12.105 12.911 1.00 0.00 C ATOM 868 O GLU A 56 -10.374 -13.074 13.366 1.00 0.00 O ATOM 869 CB GLU A 56 -11.010 -12.081 10.393 1.00 0.00 C ATOM 870 CG GLU A 56 -11.938 -12.140 9.177 1.00 0.00 C ATOM 871 CD GLU A 56 -11.104 -12.094 7.896 1.00 0.00 C ATOM 872 OE1 GLU A 56 -9.915 -11.835 7.995 1.00 0.00 O ATOM 873 OE2 GLU A 56 -11.666 -12.318 6.837 1.00 0.00 O ATOM 0 H GLU A 56 -12.770 -10.495 10.792 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.359 -13.164 11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.456 -11.142 10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.275 -12.885 10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.532 -13.053 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.637 -11.304 9.199 1.00 0.00 H new ATOM 880 N LEU A 57 -10.854 -10.927 13.469 1.00 0.00 N ATOM 881 CA LEU A 57 -10.027 -10.733 14.694 1.00 0.00 C ATOM 882 C LEU A 57 -10.867 -11.058 15.931 1.00 0.00 C ATOM 883 O LEU A 57 -10.426 -10.905 17.056 1.00 0.00 O ATOM 884 CB LEU A 57 -9.634 -9.256 14.682 1.00 0.00 C ATOM 885 CG LEU A 57 -8.798 -8.958 13.437 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.313 -7.508 13.484 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.593 -9.897 13.396 1.00 0.00 C ATOM 0 H LEU A 57 -11.317 -10.086 13.125 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.150 -11.379 14.716 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.527 -8.631 14.691 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.066 -9.013 15.580 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.407 -9.109 12.546 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.717 -7.295 12.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.172 -6.838 13.514 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.704 -7.357 14.375 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.997 -9.685 12.509 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.984 -9.746 14.287 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.938 -10.930 13.363 1.00 0.00 H new ATOM 899 N LYS A 58 -12.077 -11.510 15.727 1.00 0.00 N ATOM 900 CA LYS A 58 -12.960 -11.855 16.876 1.00 0.00 C ATOM 901 C LYS A 58 -12.155 -12.549 17.977 1.00 0.00 C ATOM 902 O LYS A 58 -12.212 -12.151 19.123 1.00 0.00 O ATOM 903 CB LYS A 58 -14.007 -12.806 16.299 1.00 0.00 C ATOM 904 CG LYS A 58 -15.407 -12.298 16.649 1.00 0.00 C ATOM 905 CD LYS A 58 -16.208 -13.423 17.306 1.00 0.00 C ATOM 906 CE LYS A 58 -17.248 -12.823 18.254 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.260 -13.900 18.441 1.00 0.00 N ATOM 0 H LYS A 58 -12.492 -11.655 14.807 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.413 -10.972 17.325 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.894 -12.875 15.217 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.862 -13.809 16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.338 -11.445 17.324 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.916 -11.953 15.749 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.701 -14.026 16.543 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.540 -14.087 17.855 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.797 -12.535 19.204 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.699 -11.926 17.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.009 -13.565 19.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.676 -14.149 17.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.803 -14.739 18.852 1.00 0.00 H new ATOM 921 N PRO A 59 -11.421 -13.566 17.598 1.00 0.00 N ATOM 922 CA PRO A 59 -10.599 -14.305 18.577 1.00 0.00 C ATOM 923 C PRO A 59 -9.679 -13.344 19.334 1.00 0.00 C ATOM 924 O PRO A 59 -9.492 -13.471 20.529 1.00 0.00 O ATOM 925 CB PRO A 59 -9.810 -15.276 17.694 1.00 0.00 C ATOM 926 CG PRO A 59 -10.231 -15.058 16.227 1.00 0.00 C ATOM 927 CD PRO A 59 -11.367 -14.027 16.189 1.00 0.00 C ATOM 0 HA PRO A 59 -11.177 -14.816 19.347 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.739 -15.108 17.809 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.005 -16.305 17.995 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.383 -14.708 15.639 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.559 -15.998 15.784 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.151 -13.209 15.501 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.310 -14.472 15.870 1.00 0.00 H new ATOM 935 N LEU A 60 -9.101 -12.383 18.662 1.00 0.00 N ATOM 936 CA LEU A 60 -8.203 -11.434 19.374 1.00 0.00 C ATOM 937 C LEU A 60 -8.993 -10.666 20.433 1.00 0.00 C ATOM 938 O LEU A 60 -8.497 -10.382 21.506 1.00 0.00 O ATOM 939 CB LEU A 60 -7.686 -10.487 18.291 1.00 0.00 C ATOM 940 CG LEU A 60 -6.541 -11.160 17.531 1.00 0.00 C ATOM 941 CD1 LEU A 60 -7.116 -12.105 16.474 1.00 0.00 C ATOM 942 CD2 LEU A 60 -5.686 -10.091 16.850 1.00 0.00 C ATOM 0 H LEU A 60 -9.212 -12.217 17.662 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.386 -11.939 19.890 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.491 -10.229 17.603 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.341 -9.556 18.741 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.925 -11.728 18.228 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.301 -12.585 15.932 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.726 -12.866 16.960 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.732 -11.538 15.775 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.870 -10.569 16.308 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.301 -9.523 16.152 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.276 -9.418 17.603 1.00 0.00 H new ATOM 954 N CYS A 61 -10.223 -10.334 20.147 1.00 0.00 N ATOM 955 CA CYS A 61 -11.042 -9.590 21.145 1.00 0.00 C ATOM 956 C CYS A 61 -11.281 -10.455 22.385 1.00 0.00 C ATOM 957 O CYS A 61 -11.466 -9.956 23.478 1.00 0.00 O ATOM 958 CB CYS A 61 -12.364 -9.301 20.434 1.00 0.00 C ATOM 959 SG CYS A 61 -12.067 -8.208 19.022 1.00 0.00 S ATOM 0 H CYS A 61 -10.695 -10.545 19.268 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.551 -8.678 21.483 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.818 -10.233 20.097 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.067 -8.836 21.126 1.00 0.00 H new ATOM 964 N LYS A 62 -11.289 -11.751 22.223 1.00 0.00 N ATOM 965 CA LYS A 62 -11.527 -12.647 23.392 1.00 0.00 C ATOM 966 C LYS A 62 -10.246 -12.809 24.217 1.00 0.00 C ATOM 967 O LYS A 62 -10.268 -13.346 25.308 1.00 0.00 O ATOM 968 CB LYS A 62 -11.943 -13.987 22.784 1.00 0.00 C ATOM 969 CG LYS A 62 -13.289 -13.830 22.075 1.00 0.00 C ATOM 970 CD LYS A 62 -13.765 -15.196 21.574 1.00 0.00 C ATOM 971 CE LYS A 62 -15.048 -15.022 20.759 1.00 0.00 C ATOM 972 NZ LYS A 62 -15.662 -16.378 20.718 1.00 0.00 N ATOM 0 H LYS A 62 -11.141 -12.228 21.333 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.285 -12.247 24.065 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.186 -14.329 22.078 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.017 -14.745 23.564 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.024 -13.405 22.758 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.193 -13.137 21.239 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.992 -15.660 20.961 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.945 -15.862 22.418 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.717 -14.299 21.225 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.832 -14.655 19.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.548 -16.341 20.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.005 -17.043 20.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.862 -16.698 21.687 1.00 0.00 H new ATOM 986 N GLU A 63 -9.132 -12.353 23.713 1.00 0.00 N ATOM 987 CA GLU A 63 -7.861 -12.489 24.482 1.00 0.00 C ATOM 988 C GLU A 63 -7.331 -11.105 24.876 1.00 0.00 C ATOM 989 O GLU A 63 -7.463 -10.157 24.129 1.00 0.00 O ATOM 990 CB GLU A 63 -6.891 -13.184 23.525 1.00 0.00 C ATOM 991 CG GLU A 63 -6.844 -12.418 22.201 1.00 0.00 C ATOM 992 CD GLU A 63 -5.765 -13.022 21.301 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.074 -13.960 20.587 1.00 0.00 O ATOM 994 OE2 GLU A 63 -4.647 -12.534 21.340 1.00 0.00 O ATOM 0 H GLU A 63 -9.046 -11.894 22.806 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.994 -13.052 25.406 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.896 -13.228 23.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.209 -14.212 23.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.814 -12.466 21.706 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.632 -11.365 22.385 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.750 -11.036 26.046 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.196 -9.758 26.553 1.00 0.00 C ATOM 1003 C PRO A 64 -5.053 -9.264 25.659 1.00 0.00 C ATOM 1004 O PRO A 64 -4.602 -8.142 25.776 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.676 -10.146 27.941 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.953 -11.644 28.174 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.617 -12.226 26.918 1.00 0.00 C ATOM 0 HA PRO A 64 -6.924 -8.947 26.573 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.607 -9.944 28.014 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.167 -9.548 28.709 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.023 -12.171 28.388 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.601 -11.778 29.040 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.004 -13.001 26.457 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.584 -12.676 27.142 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.577 -10.094 24.770 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.460 -9.668 23.877 1.00 0.00 C ATOM 1017 C ASN A 65 -3.999 -8.845 22.702 1.00 0.00 C ATOM 1018 O ASN A 65 -3.257 -8.178 22.008 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.837 -10.972 23.378 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.395 -11.816 24.574 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -1.880 -11.293 25.543 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.573 -13.109 24.548 1.00 0.00 N ATOM 0 H ASN A 65 -4.912 -11.046 24.623 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.735 -9.039 24.394 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.558 -11.525 22.776 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.983 -10.757 22.736 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.280 -13.680 25.341 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.005 -13.548 23.735 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.282 -8.887 22.472 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.864 -8.106 21.341 1.00 0.00 C ATOM 1031 C ALA A 66 -5.340 -6.669 21.365 1.00 0.00 C ATOM 1032 O ALA A 66 -5.045 -6.088 20.340 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.372 -8.125 21.583 1.00 0.00 C ATOM 0 H ALA A 66 -5.954 -9.428 23.017 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.599 -8.526 20.371 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.875 -7.570 20.791 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.727 -9.155 21.585 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.592 -7.663 22.546 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.224 -6.090 22.528 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.723 -4.691 22.616 1.00 0.00 C ATOM 1041 C GLN A 67 -3.303 -4.604 22.050 1.00 0.00 C ATOM 1042 O GLN A 67 -2.953 -3.662 21.368 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.734 -4.361 24.109 1.00 0.00 C ATOM 1044 CG GLN A 67 -6.178 -4.346 24.615 1.00 0.00 C ATOM 1045 CD GLN A 67 -6.194 -4.011 26.108 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -5.174 -4.065 26.765 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -7.318 -3.664 26.673 1.00 0.00 N ATOM 0 H GLN A 67 -5.455 -6.526 23.421 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.334 -3.993 22.043 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.151 -5.099 24.660 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.266 -3.392 24.282 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.761 -3.611 24.060 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.644 -5.316 24.444 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.174 -3.619 26.120 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.340 -3.438 27.667 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.484 -5.583 22.321 1.00 0.00 N ATOM 1057 CA GLU A 68 -1.091 -5.558 21.789 1.00 0.00 C ATOM 1058 C GLU A 68 -1.081 -6.015 20.327 1.00 0.00 C ATOM 1059 O GLU A 68 -0.335 -5.510 19.513 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.312 -6.535 22.671 1.00 0.00 C ATOM 1061 CG GLU A 68 -0.298 -6.017 24.110 1.00 0.00 C ATOM 1062 CD GLU A 68 0.509 -6.974 24.991 1.00 0.00 C ATOM 1063 OE1 GLU A 68 0.857 -8.039 24.511 1.00 0.00 O ATOM 1064 OE2 GLU A 68 0.765 -6.623 26.131 1.00 0.00 O ATOM 0 H GLU A 68 -2.718 -6.398 22.887 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.653 -4.560 21.811 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.771 -7.523 22.633 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.708 -6.643 22.301 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.139 -5.019 24.144 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.317 -5.932 24.487 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.911 -6.966 19.989 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.954 -7.449 18.579 1.00 0.00 C ATOM 1073 C ILE A 69 -2.523 -6.357 17.671 1.00 0.00 C ATOM 1074 O ILE A 69 -2.027 -6.113 16.588 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.886 -8.662 18.595 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.328 -9.731 19.537 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -2.992 -9.235 17.181 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.365 -10.843 19.715 1.00 0.00 C ATOM 0 H ILE A 69 -2.559 -7.428 20.627 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.964 -7.704 18.202 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.873 -8.356 18.943 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.404 -10.142 19.131 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.083 -9.289 20.503 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.655 -10.100 17.188 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.393 -8.475 16.510 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.003 -9.539 16.836 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.969 -11.606 20.386 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.278 -10.425 20.139 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.587 -11.292 18.747 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.564 -5.701 18.105 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.175 -4.624 17.274 1.00 0.00 C ATOM 1092 C LEU A 70 -3.106 -3.620 16.829 1.00 0.00 C ATOM 1093 O LEU A 70 -2.943 -3.352 15.656 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.201 -3.956 18.197 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.708 -2.651 17.573 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.783 -1.501 17.976 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.735 -2.776 16.049 1.00 0.00 C ATOM 0 H LEU A 70 -4.020 -5.865 19.003 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.634 -5.010 16.364 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.038 -4.632 18.372 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.748 -3.751 19.167 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.718 -2.451 17.932 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.143 -0.572 17.533 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.774 -1.405 19.062 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.773 -1.705 17.621 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.097 -1.844 15.614 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.729 -2.981 15.683 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.399 -3.592 15.763 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.375 -3.064 17.755 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.318 -2.078 17.385 1.00 0.00 C ATOM 1111 C GLN A 71 -0.428 -2.633 16.268 1.00 0.00 C ATOM 1112 O GLN A 71 -0.256 -2.017 15.234 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.504 -1.880 18.664 1.00 0.00 C ATOM 1114 CG GLN A 71 0.593 -0.844 18.417 1.00 0.00 C ATOM 1115 CD GLN A 71 1.356 -0.592 19.720 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.986 -1.098 20.761 1.00 0.00 O ATOM 1117 NE2 GLN A 71 2.413 0.171 19.705 1.00 0.00 N ATOM 0 H GLN A 71 -2.463 -3.249 18.754 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.741 -1.145 17.014 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.155 -1.550 19.474 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.062 -2.826 18.976 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.276 -1.198 17.645 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.155 0.086 18.053 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.723 0.595 18.831 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.930 0.343 20.567 1.00 0.00 H new ATOM 1126 N ARG A 72 0.142 -3.789 16.471 1.00 0.00 N ATOM 1127 CA ARG A 72 1.025 -4.380 15.424 1.00 0.00 C ATOM 1128 C ARG A 72 0.319 -4.373 14.064 1.00 0.00 C ATOM 1129 O ARG A 72 0.838 -3.869 13.087 1.00 0.00 O ATOM 1130 CB ARG A 72 1.282 -5.815 15.888 1.00 0.00 C ATOM 1131 CG ARG A 72 2.007 -5.795 17.236 1.00 0.00 C ATOM 1132 CD ARG A 72 2.347 -7.228 17.655 1.00 0.00 C ATOM 1133 NE ARG A 72 2.895 -7.103 19.035 1.00 0.00 N ATOM 1134 CZ ARG A 72 2.933 -8.145 19.822 1.00 0.00 C ATOM 1135 NH1 ARG A 72 2.605 -9.322 19.365 1.00 0.00 N ATOM 1136 NH2 ARG A 72 3.300 -8.008 21.067 1.00 0.00 N ATOM 0 H ARG A 72 0.035 -4.350 17.316 1.00 0.00 H new ATOM 0 HA ARG A 72 1.951 -3.818 15.301 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.339 -6.353 15.979 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.882 -6.345 15.148 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.918 -5.201 17.162 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.379 -5.323 17.992 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.463 -7.865 17.637 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.076 -7.675 16.979 1.00 0.00 H new ATOM 0 HE ARG A 72 3.241 -6.202 19.366 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.318 -9.430 18.392 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.635 -10.135 19.981 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.557 -7.088 21.425 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.330 -8.821 21.682 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.858 -4.932 13.993 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.593 -4.962 12.695 1.00 0.00 C ATOM 1152 C LEU A 73 -1.635 -3.564 12.073 1.00 0.00 C ATOM 1153 O LEU A 73 -1.357 -3.387 10.904 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.006 -5.428 13.049 1.00 0.00 C ATOM 1155 CG LEU A 73 -2.946 -6.831 13.656 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.368 -7.357 13.860 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.188 -7.764 12.710 1.00 0.00 C ATOM 0 H LEU A 73 -1.343 -5.369 14.777 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.114 -5.619 11.969 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.462 -4.734 13.755 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.632 -5.433 12.157 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.431 -6.791 14.616 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.328 -8.357 14.292 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.909 -6.692 14.533 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.882 -7.398 12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.145 -8.764 13.142 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.703 -7.805 11.750 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.175 -7.389 12.563 1.00 0.00 H new ATOM 1169 N GLU A 74 -1.986 -2.571 12.841 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.050 -1.189 12.286 1.00 0.00 C ATOM 1171 C GLU A 74 -0.709 -0.802 11.659 1.00 0.00 C ATOM 1172 O GLU A 74 -0.657 -0.263 10.571 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.356 -0.289 13.482 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.670 -0.728 14.130 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.113 0.324 15.148 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.388 1.287 15.329 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.171 0.148 15.730 1.00 0.00 O ATOM 0 H GLU A 74 -2.231 -2.655 13.828 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.804 -1.100 11.504 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.545 -0.343 14.208 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.427 0.750 13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.438 -0.858 13.368 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.541 -1.693 14.621 1.00 0.00 H new ATOM 1184 N GLU A 75 0.378 -1.063 12.334 1.00 0.00 N ATOM 1185 CA GLU A 75 1.710 -0.697 11.770 1.00 0.00 C ATOM 1186 C GLU A 75 1.932 -1.383 10.418 1.00 0.00 C ATOM 1187 O GLU A 75 2.217 -0.741 9.428 1.00 0.00 O ATOM 1188 CB GLU A 75 2.722 -1.204 12.798 1.00 0.00 C ATOM 1189 CG GLU A 75 2.531 -0.448 14.115 1.00 0.00 C ATOM 1190 CD GLU A 75 3.602 -0.886 15.116 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.319 -1.826 14.813 1.00 0.00 O ATOM 1192 OE2 GLU A 75 3.689 -0.274 16.168 1.00 0.00 O ATOM 0 H GLU A 75 0.402 -1.513 13.249 1.00 0.00 H new ATOM 0 HA GLU A 75 1.800 0.375 11.594 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.590 -2.274 12.958 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.737 -1.060 12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.597 0.626 13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.538 -0.646 14.519 1.00 0.00 H new ATOM 1199 N ILE A 76 1.802 -2.680 10.369 1.00 0.00 N ATOM 1200 CA ILE A 76 2.007 -3.397 9.077 1.00 0.00 C ATOM 1201 C ILE A 76 0.990 -2.913 8.041 1.00 0.00 C ATOM 1202 O ILE A 76 1.295 -2.767 6.874 1.00 0.00 O ATOM 1203 CB ILE A 76 1.780 -4.874 9.403 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.775 -5.318 10.478 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.984 -5.713 8.139 1.00 0.00 C ATOM 1206 CD1 ILE A 76 2.452 -6.748 10.913 1.00 0.00 C ATOM 0 H ILE A 76 1.564 -3.273 11.164 1.00 0.00 H new ATOM 0 HA ILE A 76 2.998 -3.221 8.658 1.00 0.00 H new ATOM 0 HB ILE A 76 0.763 -5.013 9.770 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.793 -5.266 10.091 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.725 -4.646 11.335 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.822 -6.766 8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.275 -5.397 7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.000 -5.575 7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.161 -7.064 11.679 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.440 -6.786 11.317 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.525 -7.415 10.054 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.214 -2.653 8.467 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.255 -2.170 7.516 1.00 0.00 C ATOM 1220 C ALA A 77 -0.825 -0.838 6.900 1.00 0.00 C ATOM 1221 O ALA A 77 -1.132 -0.539 5.764 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.514 -1.989 8.363 1.00 0.00 C ATOM 0 H ALA A 77 -0.523 -2.754 9.434 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.418 -2.865 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.329 -1.634 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.791 -2.943 8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.321 -1.261 9.151 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.117 -0.033 7.644 1.00 0.00 N ATOM 1229 CA GLU A 78 0.330 1.284 7.105 1.00 0.00 C ATOM 1230 C GLU A 78 1.177 1.092 5.843 1.00 0.00 C ATOM 1231 O GLU A 78 1.120 1.887 4.925 1.00 0.00 O ATOM 1232 CB GLU A 78 1.173 1.904 8.221 1.00 0.00 C ATOM 1233 CG GLU A 78 1.794 3.210 7.720 1.00 0.00 C ATOM 1234 CD GLU A 78 2.696 3.798 8.806 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.861 3.149 9.826 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.206 4.887 8.600 1.00 0.00 O ATOM 0 H GLU A 78 0.172 -0.230 8.602 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.513 1.916 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.553 2.095 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.956 1.211 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.371 3.026 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.010 3.921 7.460 1.00 0.00 H new ATOM 1243 N ASP A 79 1.969 0.055 5.790 1.00 0.00 N ATOM 1244 CA ASP A 79 2.818 -0.160 4.583 1.00 0.00 C ATOM 1245 C ASP A 79 3.201 -1.637 4.447 1.00 0.00 C ATOM 1246 O ASP A 79 3.308 -2.345 5.429 1.00 0.00 O ATOM 1247 CB ASP A 79 4.061 0.700 4.825 1.00 0.00 C ATOM 1248 CG ASP A 79 5.232 0.161 3.999 1.00 0.00 C ATOM 1249 OD1 ASP A 79 5.733 -0.897 4.338 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.608 0.818 3.041 1.00 0.00 O ATOM 0 H ASP A 79 2.065 -0.647 6.524 1.00 0.00 H new ATOM 0 HA ASP A 79 2.302 0.111 3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.857 1.735 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.318 0.694 5.884 1.00 0.00 H new ATOM 1255 N PRO A 80 3.402 -2.050 3.221 1.00 0.00 N ATOM 1256 CA PRO A 80 3.784 -3.452 2.934 1.00 0.00 C ATOM 1257 C PRO A 80 5.125 -3.792 3.588 1.00 0.00 C ATOM 1258 O PRO A 80 6.163 -3.754 2.958 1.00 0.00 O ATOM 1259 CB PRO A 80 3.899 -3.462 1.408 1.00 0.00 C ATOM 1260 CG PRO A 80 3.570 -2.054 0.875 1.00 0.00 C ATOM 1261 CD PRO A 80 3.255 -1.137 2.064 1.00 0.00 C ATOM 0 HA PRO A 80 3.075 -4.186 3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.905 -3.753 1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.214 -4.196 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.412 -1.659 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.719 -2.097 0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.945 -0.295 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.249 -0.721 2.000 1.00 0.00 H new ATOM 1269 N GLY A 81 5.105 -4.137 4.844 1.00 0.00 N ATOM 1270 CA GLY A 81 6.375 -4.497 5.535 1.00 0.00 C ATOM 1271 C GLY A 81 6.942 -5.762 4.889 1.00 0.00 C ATOM 1272 O GLY A 81 6.985 -5.886 3.681 1.00 0.00 O ATOM 0 H GLY A 81 4.266 -4.186 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.092 -3.680 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.194 -4.663 6.597 1.00 0.00 H new ATOM 1276 N THR A 82 7.367 -6.708 5.679 1.00 0.00 N ATOM 1277 CA THR A 82 7.914 -7.969 5.101 1.00 0.00 C ATOM 1278 C THR A 82 6.760 -8.878 4.671 1.00 0.00 C ATOM 1279 O THR A 82 6.940 -9.838 3.949 1.00 0.00 O ATOM 1280 CB THR A 82 8.713 -8.612 6.236 1.00 0.00 C ATOM 1281 OG1 THR A 82 7.831 -8.948 7.299 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.771 -7.631 6.739 1.00 0.00 C ATOM 0 H THR A 82 7.360 -6.664 6.698 1.00 0.00 H new ATOM 0 HA THR A 82 8.534 -7.794 4.222 1.00 0.00 H new ATOM 0 HB THR A 82 9.205 -9.514 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.339 -9.026 8.133 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.339 -8.091 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.446 -7.373 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.284 -6.728 7.106 1.00 0.00 H new ATOM 1290 N CYS A 83 5.574 -8.576 5.118 1.00 0.00 N ATOM 1291 CA CYS A 83 4.400 -9.416 4.748 1.00 0.00 C ATOM 1292 C CYS A 83 4.299 -9.548 3.225 1.00 0.00 C ATOM 1293 O CYS A 83 4.194 -10.635 2.692 1.00 0.00 O ATOM 1294 CB CYS A 83 3.187 -8.671 5.306 1.00 0.00 C ATOM 1295 SG CYS A 83 1.732 -9.744 5.231 1.00 0.00 S ATOM 0 H CYS A 83 5.366 -7.783 5.725 1.00 0.00 H new ATOM 0 HA CYS A 83 4.475 -10.427 5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.375 -8.368 6.336 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.011 -7.761 4.733 1.00 0.00 H new ATOM 1300 N GLU A 84 4.314 -8.449 2.522 1.00 0.00 N ATOM 1301 CA GLU A 84 4.201 -8.511 1.034 1.00 0.00 C ATOM 1302 C GLU A 84 5.301 -9.390 0.429 1.00 0.00 C ATOM 1303 O GLU A 84 5.098 -10.036 -0.580 1.00 0.00 O ATOM 1304 CB GLU A 84 4.362 -7.066 0.562 1.00 0.00 C ATOM 1305 CG GLU A 84 4.174 -7.008 -0.955 1.00 0.00 C ATOM 1306 CD GLU A 84 4.449 -5.588 -1.454 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.827 -4.761 -0.643 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.279 -5.353 -2.639 1.00 0.00 O ATOM 0 H GLU A 84 4.400 -7.510 2.912 1.00 0.00 H new ATOM 0 HA GLU A 84 3.251 -8.948 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.631 -6.426 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.349 -6.690 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.849 -7.712 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.159 -7.306 -1.217 1.00 0.00 H new ATOM 1315 N ILE A 85 6.466 -9.416 1.019 1.00 0.00 N ATOM 1316 CA ILE A 85 7.560 -10.253 0.445 1.00 0.00 C ATOM 1317 C ILE A 85 7.649 -11.593 1.179 1.00 0.00 C ATOM 1318 O ILE A 85 8.592 -12.341 1.014 1.00 0.00 O ATOM 1319 CB ILE A 85 8.837 -9.431 0.641 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.184 -9.369 2.129 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.615 -8.014 0.109 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.258 -8.303 2.356 1.00 0.00 C ATOM 0 H ILE A 85 6.707 -8.900 1.865 1.00 0.00 H new ATOM 0 HA ILE A 85 7.392 -10.488 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 85 9.658 -9.900 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.294 -9.134 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.542 -10.340 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.523 -7.427 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.370 -8.058 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.794 -7.546 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.507 -8.257 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.150 -8.558 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.883 -7.333 2.029 1.00 0.00 H new ATOM 1334 N CYS A 86 6.669 -11.905 1.982 1.00 0.00 N ATOM 1335 CA CYS A 86 6.691 -13.202 2.720 1.00 0.00 C ATOM 1336 C CYS A 86 7.992 -13.347 3.513 1.00 0.00 C ATOM 1337 O CYS A 86 8.356 -14.429 3.930 1.00 0.00 O ATOM 1338 CB CYS A 86 6.605 -14.273 1.633 1.00 0.00 C ATOM 1339 SG CYS A 86 5.255 -13.875 0.496 1.00 0.00 S ATOM 0 H CYS A 86 5.854 -11.319 2.160 1.00 0.00 H new ATOM 0 HA CYS A 86 5.876 -13.279 3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.548 -14.330 1.089 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.438 -15.251 2.084 1.00 0.00 H new ATOM 1344 N ALA A 87 8.696 -12.271 3.727 1.00 0.00 N ATOM 1345 CA ALA A 87 9.970 -12.361 4.496 1.00 0.00 C ATOM 1346 C ALA A 87 9.678 -12.769 5.942 1.00 0.00 C ATOM 1347 O ALA A 87 10.568 -13.101 6.699 1.00 0.00 O ATOM 1348 CB ALA A 87 10.570 -10.956 4.445 1.00 0.00 C ATOM 0 H ALA A 87 8.446 -11.336 3.404 1.00 0.00 H new ATOM 0 HA ALA A 87 10.651 -13.105 4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.513 -10.943 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.748 -10.674 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.877 -10.248 4.900 1.00 0.00 H new ATOM 1354 N TYR A 88 8.431 -12.750 6.329 1.00 0.00 N ATOM 1355 CA TYR A 88 8.075 -13.138 7.725 1.00 0.00 C ATOM 1356 C TYR A 88 6.733 -13.877 7.740 1.00 0.00 C ATOM 1357 O TYR A 88 6.044 -13.958 6.743 1.00 0.00 O ATOM 1358 CB TYR A 88 7.968 -11.818 8.487 1.00 0.00 C ATOM 1359 CG TYR A 88 9.106 -11.712 9.475 1.00 0.00 C ATOM 1360 CD1 TYR A 88 8.983 -12.281 10.748 1.00 0.00 C ATOM 1361 CD2 TYR A 88 10.284 -11.046 9.117 1.00 0.00 C ATOM 1362 CE1 TYR A 88 10.038 -12.182 11.663 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.339 -10.947 10.032 1.00 0.00 C ATOM 1364 CZ TYR A 88 11.216 -11.516 11.305 1.00 0.00 C ATOM 1365 OH TYR A 88 12.256 -11.419 12.207 1.00 0.00 O ATOM 0 H TYR A 88 7.643 -12.483 5.739 1.00 0.00 H new ATOM 0 HA TYR A 88 8.812 -13.807 8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.998 -10.980 7.790 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.013 -11.764 9.009 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.075 -12.796 11.024 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.379 -10.608 8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.943 -12.620 12.646 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.247 -10.432 9.756 1.00 0.00 H new ATOM 0 HH TYR A 88 12.998 -10.927 11.799 1.00 0.00 H new ATOM 1375 N ALA A 89 6.360 -14.420 8.867 1.00 0.00 N ATOM 1376 CA ALA A 89 5.064 -15.156 8.949 1.00 0.00 C ATOM 1377 C ALA A 89 3.891 -14.171 8.961 1.00 0.00 C ATOM 1378 O ALA A 89 2.747 -14.556 9.105 1.00 0.00 O ATOM 1379 CB ALA A 89 5.130 -15.928 10.266 1.00 0.00 C ATOM 0 H ALA A 89 6.896 -14.386 9.734 1.00 0.00 H new ATOM 0 HA ALA A 89 4.911 -15.817 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.210 -16.497 10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.979 -16.611 10.245 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.248 -15.228 11.093 1.00 0.00 H new ATOM 1385 N ALA A 90 4.165 -12.904 8.817 1.00 0.00 N ATOM 1386 CA ALA A 90 3.065 -11.895 8.826 1.00 0.00 C ATOM 1387 C ALA A 90 2.131 -12.104 7.630 1.00 0.00 C ATOM 1388 O ALA A 90 0.938 -11.899 7.723 1.00 0.00 O ATOM 1389 CB ALA A 90 3.769 -10.543 8.723 1.00 0.00 C ATOM 0 H ALA A 90 5.103 -12.522 8.693 1.00 0.00 H new ATOM 0 HA ALA A 90 2.448 -11.971 9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.026 -9.745 8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.439 -10.416 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.345 -10.502 7.798 1.00 0.00 H new ATOM 1395 N CYS A 91 2.662 -12.504 6.507 1.00 0.00 N ATOM 1396 CA CYS A 91 1.795 -12.715 5.311 1.00 0.00 C ATOM 1397 C CYS A 91 1.613 -14.208 5.034 1.00 0.00 C ATOM 1398 O CYS A 91 2.564 -14.930 4.813 1.00 0.00 O ATOM 1399 CB CYS A 91 2.539 -12.049 4.155 1.00 0.00 C ATOM 1400 SG CYS A 91 1.570 -10.647 3.544 1.00 0.00 S ATOM 0 H CYS A 91 3.654 -12.693 6.365 1.00 0.00 H new ATOM 0 HA CYS A 91 0.799 -12.296 5.454 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.520 -11.710 4.487 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.705 -12.768 3.353 1.00 0.00 H new ATOM 1405 N THR A 92 0.395 -14.673 5.036 1.00 0.00 N ATOM 1406 CA THR A 92 0.146 -16.117 4.766 1.00 0.00 C ATOM 1407 C THR A 92 -0.412 -16.300 3.352 1.00 0.00 C ATOM 1408 O THR A 92 -0.991 -15.395 2.783 1.00 0.00 O ATOM 1409 CB THR A 92 -0.886 -16.542 5.811 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.166 -16.049 5.436 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.497 -15.971 7.176 1.00 0.00 C ATOM 0 H THR A 92 -0.440 -14.115 5.213 1.00 0.00 H new ATOM 0 HA THR A 92 1.056 -16.714 4.827 1.00 0.00 H new ATOM 0 HB THR A 92 -0.918 -17.630 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.846 -16.730 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.233 -16.274 7.920 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.485 -16.348 7.462 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.465 -14.883 7.120 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.244 -17.460 2.780 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.766 -17.696 1.404 1.00 0.00 C ATOM 1421 C GLY A 93 0.355 -17.476 0.386 1.00 0.00 C ATOM 1422 O GLY A 93 0.182 -17.688 -0.798 1.00 0.00 O ATOM 0 H GLY A 93 0.232 -18.255 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.153 -18.711 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.596 -17.020 1.198 1.00 0.00 H new ATOM 1426 N CYS A 94 1.504 -17.051 0.836 1.00 0.00 N ATOM 1427 CA CYS A 94 2.635 -16.817 -0.108 1.00 0.00 C ATOM 1428 C CYS A 94 3.081 -18.138 -0.739 1.00 0.00 C ATOM 1429 O CYS A 94 2.417 -18.586 -1.660 1.00 0.00 O ATOM 1430 CB CYS A 94 3.753 -16.230 0.754 1.00 0.00 C ATOM 1431 SG CYS A 94 3.425 -14.475 1.053 1.00 0.00 S ATOM 1432 OXT CYS A 94 4.079 -18.678 -0.293 1.00 0.00 O ATOM 0 H CYS A 94 1.709 -16.856 1.816 1.00 0.00 H new ATOM 0 HA CYS A 94 2.359 -16.153 -0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.816 -16.766 1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 94 4.714 -16.352 0.254 1.00 0.00 H new TER 1437 CYS A 94