USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 104 SER OG : rot -73:sc= 0.794 USER MOD Set 1.2: A 105 ASN : amide:sc= 0 X(o=0.79,f=0.61) USER MOD Single : A 32 ASN : amide:sc= 0.633 K(o=0.63,f=-3.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -39:sc= 0.216 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.0241 K(o=-0.024,f=-0.6) USER MOD Single : A 47 SER OG : rot -1:sc= 1.11 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1.1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -38:sc= 0.28 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 77 LYS NZ :NH3+ -159:sc= -0.24 (180deg=-0.882) USER MOD Single : A 78 THR OG1 : rot -153:sc= -1.7! USER MOD Single : A 84 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 15.913 -14.462 3.550 1.00 0.00 N ATOM 2 CA GLY A 31 16.475 -14.829 2.238 1.00 0.00 C ATOM 3 C GLY A 31 15.357 -15.292 1.329 1.00 0.00 C ATOM 4 O GLY A 31 14.367 -14.577 1.224 1.00 0.00 O ATOM 0 HA2 GLY A 31 16.988 -13.974 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 31 17.216 -15.620 2.355 1.00 0.00 H new ATOM 8 N ASN A 32 15.511 -16.463 0.704 1.00 0.00 N ATOM 9 CA ASN A 32 14.473 -17.084 -0.119 1.00 0.00 C ATOM 10 C ASN A 32 13.363 -17.746 0.734 1.00 0.00 C ATOM 11 O ASN A 32 13.418 -17.717 1.964 1.00 0.00 O ATOM 12 CB ASN A 32 15.155 -18.076 -1.083 1.00 0.00 C ATOM 13 CG ASN A 32 14.407 -18.146 -2.402 1.00 0.00 C ATOM 14 OD1 ASN A 32 13.373 -18.785 -2.513 1.00 0.00 O ATOM 15 ND2 ASN A 32 14.862 -17.444 -3.417 1.00 0.00 N ATOM 0 H ASN A 32 16.370 -17.011 0.757 1.00 0.00 H new ATOM 0 HA ASN A 32 13.957 -16.318 -0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 32 16.185 -17.768 -1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.192 -19.066 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.350 -17.433 -4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.726 -16.911 -3.322 1.00 0.00 H new ATOM 22 N GLY A 33 12.365 -18.346 0.072 1.00 0.00 N ATOM 23 CA GLY A 33 11.220 -18.999 0.702 1.00 0.00 C ATOM 24 C GLY A 33 10.302 -19.662 -0.328 1.00 0.00 C ATOM 25 O GLY A 33 9.470 -18.990 -0.939 1.00 0.00 O ATOM 0 H GLY A 33 12.335 -18.389 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.574 -19.749 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.653 -18.265 1.274 1.00 0.00 H new ATOM 29 N SER A 34 10.439 -20.984 -0.495 1.00 0.00 N ATOM 30 CA SER A 34 9.571 -21.828 -1.323 1.00 0.00 C ATOM 31 C SER A 34 9.371 -23.195 -0.662 1.00 0.00 C ATOM 32 O SER A 34 10.238 -23.625 0.096 1.00 0.00 O ATOM 33 CB SER A 34 10.202 -22.003 -2.706 1.00 0.00 C ATOM 34 OG SER A 34 9.272 -22.623 -3.572 1.00 0.00 O ATOM 0 H SER A 34 11.184 -21.513 -0.041 1.00 0.00 H new ATOM 0 HA SER A 34 8.598 -21.347 -1.426 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.499 -21.034 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.106 -22.608 -2.632 1.00 0.00 H new ATOM 0 HG SER A 34 9.674 -22.734 -4.459 1.00 0.00 H new ATOM 40 N THR A 35 8.244 -23.870 -0.954 1.00 0.00 N ATOM 41 CA THR A 35 7.848 -25.199 -0.426 1.00 0.00 C ATOM 42 C THR A 35 8.098 -25.362 1.090 1.00 0.00 C ATOM 43 O THR A 35 8.434 -26.441 1.578 1.00 0.00 O ATOM 44 CB THR A 35 8.435 -26.322 -1.318 1.00 0.00 C ATOM 45 OG1 THR A 35 7.936 -27.609 -1.018 1.00 0.00 O ATOM 46 CG2 THR A 35 9.964 -26.402 -1.305 1.00 0.00 C ATOM 0 H THR A 35 7.548 -23.490 -1.595 1.00 0.00 H new ATOM 0 HA THR A 35 6.764 -25.287 -0.493 1.00 0.00 H new ATOM 0 HB THR A 35 8.102 -26.024 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.845 -27.707 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.291 -27.214 -1.955 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.381 -25.460 -1.663 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.310 -26.589 -0.288 1.00 0.00 H new ATOM 54 N ILE A 36 7.957 -24.270 1.855 1.00 0.00 N ATOM 55 CA ILE A 36 8.242 -24.276 3.290 1.00 0.00 C ATOM 56 C ILE A 36 7.163 -25.081 4.029 1.00 0.00 C ATOM 57 O ILE A 36 6.028 -25.227 3.570 1.00 0.00 O ATOM 58 CB ILE A 36 8.414 -22.851 3.887 1.00 0.00 C ATOM 59 CG1 ILE A 36 9.171 -21.856 2.972 1.00 0.00 C ATOM 60 CG2 ILE A 36 9.187 -22.957 5.218 1.00 0.00 C ATOM 61 CD1 ILE A 36 8.232 -21.039 2.074 1.00 0.00 C ATOM 0 H ILE A 36 7.645 -23.367 1.497 1.00 0.00 H new ATOM 0 HA ILE A 36 9.207 -24.762 3.432 1.00 0.00 H new ATOM 0 HB ILE A 36 7.406 -22.457 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.758 -21.176 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.874 -22.407 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.313 -21.962 5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.629 -23.583 5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.166 -23.401 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.819 -20.360 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.664 -21.713 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.545 -20.463 2.694 1.00 0.00 H new ATOM 73 N THR A 37 7.525 -25.594 5.202 1.00 0.00 N ATOM 74 CA THR A 37 6.643 -26.268 6.146 1.00 0.00 C ATOM 75 C THR A 37 5.438 -25.403 6.523 1.00 0.00 C ATOM 76 O THR A 37 5.483 -24.173 6.503 1.00 0.00 O ATOM 77 CB THR A 37 7.423 -26.651 7.425 1.00 0.00 C ATOM 78 OG1 THR A 37 8.730 -26.112 7.429 1.00 0.00 O ATOM 79 CG2 THR A 37 7.559 -28.166 7.558 1.00 0.00 C ATOM 0 H THR A 37 8.488 -25.548 5.534 1.00 0.00 H new ATOM 0 HA THR A 37 6.271 -27.167 5.655 1.00 0.00 H new ATOM 0 HB THR A 37 6.849 -26.241 8.256 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.190 -26.375 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.112 -28.403 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.568 -28.617 7.608 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.094 -28.560 6.694 1.00 0.00 H new ATOM 87 N PHE A 38 4.366 -26.071 6.960 1.00 0.00 N ATOM 88 CA PHE A 38 3.116 -25.430 7.370 1.00 0.00 C ATOM 89 C PHE A 38 3.268 -24.502 8.592 1.00 0.00 C ATOM 90 O PHE A 38 2.362 -23.717 8.843 1.00 0.00 O ATOM 91 CB PHE A 38 2.048 -26.506 7.629 1.00 0.00 C ATOM 92 CG PHE A 38 1.453 -27.139 6.379 1.00 0.00 C ATOM 93 CD1 PHE A 38 2.191 -28.067 5.615 1.00 0.00 C ATOM 94 CD2 PHE A 38 0.142 -26.809 5.982 1.00 0.00 C ATOM 95 CE1 PHE A 38 1.628 -28.646 4.463 1.00 0.00 C ATOM 96 CE2 PHE A 38 -0.426 -27.398 4.838 1.00 0.00 C ATOM 97 CZ PHE A 38 0.318 -28.315 4.075 1.00 0.00 C ATOM 0 H PHE A 38 4.344 -27.088 7.039 1.00 0.00 H new ATOM 0 HA PHE A 38 2.804 -24.784 6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.488 -27.293 8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.241 -26.062 8.212 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.193 -28.334 5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.431 -26.099 6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.203 -29.346 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.435 -27.146 4.545 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.116 -28.764 3.193 1.00 0.00 H new ATOM 107 N ASP A 39 4.397 -24.545 9.315 1.00 0.00 N ATOM 108 CA ASP A 39 4.739 -23.626 10.410 1.00 0.00 C ATOM 109 C ASP A 39 4.546 -22.158 10.005 1.00 0.00 C ATOM 110 O ASP A 39 3.772 -21.437 10.643 1.00 0.00 O ATOM 111 CB ASP A 39 6.186 -23.885 10.866 1.00 0.00 C ATOM 112 CG ASP A 39 6.648 -22.865 11.919 1.00 0.00 C ATOM 113 OD1 ASP A 39 6.008 -22.825 12.995 1.00 0.00 O ATOM 114 OD2 ASP A 39 7.620 -22.129 11.636 1.00 0.00 O ATOM 0 H ASP A 39 5.121 -25.244 9.148 1.00 0.00 H new ATOM 0 HA ASP A 39 4.060 -23.816 11.241 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.262 -24.891 11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.851 -23.843 10.004 1.00 0.00 H new ATOM 119 N GLU A 40 5.213 -21.735 8.919 1.00 0.00 N ATOM 120 CA GLU A 40 5.133 -20.353 8.449 1.00 0.00 C ATOM 121 C GLU A 40 3.687 -19.990 8.101 1.00 0.00 C ATOM 122 O GLU A 40 3.205 -18.954 8.546 1.00 0.00 O ATOM 123 CB GLU A 40 6.056 -20.079 7.248 1.00 0.00 C ATOM 124 CG GLU A 40 7.522 -20.492 7.466 1.00 0.00 C ATOM 125 CD GLU A 40 8.488 -19.588 6.673 1.00 0.00 C ATOM 126 OE1 GLU A 40 8.369 -19.593 5.426 1.00 0.00 O ATOM 127 OE2 GLU A 40 9.318 -18.880 7.301 1.00 0.00 O ATOM 0 H GLU A 40 5.813 -22.335 8.353 1.00 0.00 H new ATOM 0 HA GLU A 40 5.479 -19.721 9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.667 -20.609 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.022 -19.015 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.762 -20.439 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.658 -21.529 7.160 1.00 0.00 H new ATOM 134 N LEU A 41 2.981 -20.865 7.369 1.00 0.00 N ATOM 135 CA LEU A 41 1.574 -20.710 6.984 1.00 0.00 C ATOM 136 C LEU A 41 0.671 -20.532 8.212 1.00 0.00 C ATOM 137 O LEU A 41 -0.098 -19.572 8.257 1.00 0.00 O ATOM 138 CB LEU A 41 1.100 -21.915 6.148 1.00 0.00 C ATOM 139 CG LEU A 41 1.487 -21.902 4.656 1.00 0.00 C ATOM 140 CD1 LEU A 41 3.000 -21.888 4.416 1.00 0.00 C ATOM 141 CD2 LEU A 41 0.858 -23.126 3.970 1.00 0.00 C ATOM 0 H LEU A 41 3.391 -21.730 7.017 1.00 0.00 H new ATOM 0 HA LEU A 41 1.500 -19.808 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.501 -22.823 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.014 -21.976 6.220 1.00 0.00 H new ATOM 0 HG LEU A 41 1.105 -20.974 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.198 -21.879 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.433 -20.998 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.447 -22.777 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.125 -23.128 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.229 -24.037 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.226 -23.082 4.070 1.00 0.00 H new ATOM 153 N GLN A 42 0.770 -21.433 9.200 1.00 0.00 N ATOM 154 CA GLN A 42 0.024 -21.362 10.457 1.00 0.00 C ATOM 155 C GLN A 42 0.265 -20.017 11.149 1.00 0.00 C ATOM 156 O GLN A 42 -0.688 -19.266 11.357 1.00 0.00 O ATOM 157 CB GLN A 42 0.382 -22.539 11.385 1.00 0.00 C ATOM 158 CG GLN A 42 -0.067 -23.913 10.851 1.00 0.00 C ATOM 159 CD GLN A 42 -0.981 -24.666 11.820 1.00 0.00 C ATOM 160 OE1 GLN A 42 -2.128 -24.320 12.054 1.00 0.00 O ATOM 161 NE2 GLN A 42 -0.509 -25.754 12.403 1.00 0.00 N ATOM 0 H GLN A 42 1.384 -22.246 9.143 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.039 -21.440 10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.461 -22.554 11.537 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.075 -22.372 12.360 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.588 -23.775 9.903 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.814 -24.521 10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.447 -26.057 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.101 -26.290 13.037 1.00 0.00 H new ATOM 170 N GLY A 43 1.528 -19.679 11.453 1.00 0.00 N ATOM 171 CA GLY A 43 1.885 -18.399 12.075 1.00 0.00 C ATOM 172 C GLY A 43 1.421 -17.173 11.267 1.00 0.00 C ATOM 173 O GLY A 43 0.944 -16.195 11.851 1.00 0.00 O ATOM 0 H GLY A 43 2.328 -20.286 11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.447 -18.354 13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.967 -18.354 12.200 1.00 0.00 H new ATOM 177 N LEU A 44 1.507 -17.250 9.931 1.00 0.00 N ATOM 178 CA LEU A 44 1.056 -16.228 8.984 1.00 0.00 C ATOM 179 C LEU A 44 -0.428 -15.901 9.155 1.00 0.00 C ATOM 180 O LEU A 44 -0.786 -14.756 9.452 1.00 0.00 O ATOM 181 CB LEU A 44 1.329 -16.665 7.528 1.00 0.00 C ATOM 182 CG LEU A 44 2.645 -16.116 6.957 1.00 0.00 C ATOM 183 CD1 LEU A 44 3.101 -16.952 5.756 1.00 0.00 C ATOM 184 CD2 LEU A 44 2.480 -14.646 6.534 1.00 0.00 C ATOM 0 H LEU A 44 1.910 -18.062 9.464 1.00 0.00 H new ATOM 0 HA LEU A 44 1.628 -15.326 9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.349 -17.754 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.503 -16.335 6.898 1.00 0.00 H new ATOM 0 HG LEU A 44 3.403 -16.176 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.035 -16.548 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.255 -17.985 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.338 -16.919 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.423 -14.275 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.706 -14.572 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.194 -14.048 7.400 1.00 0.00 H new ATOM 196 N VAL A 45 -1.302 -16.892 8.931 1.00 0.00 N ATOM 197 CA VAL A 45 -2.747 -16.670 9.067 1.00 0.00 C ATOM 198 C VAL A 45 -3.174 -16.416 10.518 1.00 0.00 C ATOM 199 O VAL A 45 -4.181 -15.746 10.730 1.00 0.00 O ATOM 200 CB VAL A 45 -3.603 -17.772 8.417 1.00 0.00 C ATOM 201 CG1 VAL A 45 -3.467 -17.762 6.887 1.00 0.00 C ATOM 202 CG2 VAL A 45 -3.317 -19.181 8.951 1.00 0.00 C ATOM 0 H VAL A 45 -1.039 -17.839 8.659 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.942 -15.756 8.505 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.629 -17.530 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.085 -18.553 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.794 -16.797 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.425 -17.929 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.960 -19.900 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.273 -19.435 8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.514 -19.211 10.023 1.00 0.00 H new ATOM 212 N ASN A 46 -2.399 -16.886 11.506 1.00 0.00 N ATOM 213 CA ASN A 46 -2.641 -16.646 12.930 1.00 0.00 C ATOM 214 C ASN A 46 -2.610 -15.158 13.294 1.00 0.00 C ATOM 215 O ASN A 46 -3.517 -14.671 13.973 1.00 0.00 O ATOM 216 CB ASN A 46 -1.606 -17.413 13.777 1.00 0.00 C ATOM 217 CG ASN A 46 -2.113 -18.749 14.302 1.00 0.00 C ATOM 218 OD1 ASN A 46 -3.064 -19.331 13.795 1.00 0.00 O ATOM 219 ND2 ASN A 46 -1.480 -19.249 15.346 1.00 0.00 N ATOM 0 H ASN A 46 -1.571 -17.455 11.331 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.645 -17.009 13.148 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.713 -17.584 13.176 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.308 -16.791 14.621 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.780 -20.138 15.747 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.690 -18.747 15.752 1.00 0.00 H new ATOM 226 N SER A 47 -1.528 -14.444 12.953 1.00 0.00 N ATOM 227 CA SER A 47 -1.338 -13.035 13.341 1.00 0.00 C ATOM 228 C SER A 47 -0.272 -12.347 12.479 1.00 0.00 C ATOM 229 O SER A 47 0.689 -11.761 12.975 1.00 0.00 O ATOM 230 CB SER A 47 -1.010 -12.919 14.841 1.00 0.00 C ATOM 231 OG SER A 47 -2.135 -13.276 15.622 1.00 0.00 O ATOM 0 H SER A 47 -0.759 -14.825 12.401 1.00 0.00 H new ATOM 0 HA SER A 47 -2.278 -12.513 13.161 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.169 -13.567 15.087 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.706 -11.899 15.075 1.00 0.00 H new ATOM 0 HG SER A 47 -2.885 -13.501 15.032 1.00 0.00 H new ATOM 237 N THR A 48 -0.409 -12.434 11.154 1.00 0.00 N ATOM 238 CA THR A 48 0.443 -11.701 10.205 1.00 0.00 C ATOM 239 C THR A 48 -0.367 -11.249 8.995 1.00 0.00 C ATOM 240 O THR A 48 -0.460 -10.047 8.751 1.00 0.00 O ATOM 241 CB THR A 48 1.663 -12.541 9.799 1.00 0.00 C ATOM 242 OG1 THR A 48 2.375 -12.926 10.955 1.00 0.00 O ATOM 243 CG2 THR A 48 2.634 -11.802 8.885 1.00 0.00 C ATOM 0 H THR A 48 -1.116 -13.016 10.704 1.00 0.00 H new ATOM 0 HA THR A 48 0.821 -10.806 10.699 1.00 0.00 H new ATOM 0 HB THR A 48 1.271 -13.398 9.252 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.153 -13.463 10.696 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.471 -12.455 8.639 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.121 -11.509 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.006 -10.912 9.393 1.00 0.00 H new ATOM 251 N VAL A 49 -1.017 -12.177 8.274 1.00 0.00 N ATOM 252 CA VAL A 49 -1.844 -11.807 7.114 1.00 0.00 C ATOM 253 C VAL A 49 -3.022 -10.923 7.533 1.00 0.00 C ATOM 254 O VAL A 49 -3.306 -9.932 6.870 1.00 0.00 O ATOM 255 CB VAL A 49 -2.304 -13.043 6.304 1.00 0.00 C ATOM 256 CG1 VAL A 49 -3.629 -13.656 6.781 1.00 0.00 C ATOM 257 CG2 VAL A 49 -2.454 -12.673 4.824 1.00 0.00 C ATOM 0 H VAL A 49 -0.987 -13.177 8.471 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.216 -11.219 6.444 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.528 -13.793 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.877 -14.516 6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.530 -13.975 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.422 -12.912 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.778 -13.548 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.195 -11.880 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.496 -12.327 4.437 1.00 0.00 H new ATOM 267 N THR A 50 -3.676 -11.253 8.658 1.00 0.00 N ATOM 268 CA THR A 50 -4.859 -10.546 9.160 1.00 0.00 C ATOM 269 C THR A 50 -4.543 -9.084 9.491 1.00 0.00 C ATOM 270 O THR A 50 -5.333 -8.186 9.207 1.00 0.00 O ATOM 271 CB THR A 50 -5.474 -11.299 10.353 1.00 0.00 C ATOM 272 OG1 THR A 50 -6.767 -10.809 10.583 1.00 0.00 O ATOM 273 CG2 THR A 50 -4.689 -11.188 11.664 1.00 0.00 C ATOM 0 H THR A 50 -3.391 -12.032 9.252 1.00 0.00 H new ATOM 0 HA THR A 50 -5.607 -10.525 8.368 1.00 0.00 H new ATOM 0 HB THR A 50 -5.462 -12.352 10.070 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.167 -11.285 11.341 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.202 -11.751 12.444 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.687 -11.593 11.523 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.619 -10.141 11.959 1.00 0.00 H new ATOM 281 N GLN A 51 -3.340 -8.834 10.022 1.00 0.00 N ATOM 282 CA GLN A 51 -2.879 -7.507 10.411 1.00 0.00 C ATOM 283 C GLN A 51 -2.744 -6.572 9.200 1.00 0.00 C ATOM 284 O GLN A 51 -3.041 -5.382 9.317 1.00 0.00 O ATOM 285 CB GLN A 51 -1.579 -7.662 11.222 1.00 0.00 C ATOM 286 CG GLN A 51 -1.278 -6.462 12.139 1.00 0.00 C ATOM 287 CD GLN A 51 -0.621 -5.271 11.442 1.00 0.00 C ATOM 288 OE1 GLN A 51 -0.081 -5.358 10.352 1.00 0.00 O ATOM 289 NE2 GLN A 51 -0.623 -4.111 12.070 1.00 0.00 N ATOM 0 H GLN A 51 -2.651 -9.566 10.194 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.620 -7.023 11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.645 -8.565 11.829 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.745 -7.801 10.534 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.210 -6.129 12.595 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.628 -6.795 12.948 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.071 -4.026 12.982 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.176 -3.299 11.643 1.00 0.00 H new ATOM 298 N ALA A 52 -2.402 -7.123 8.027 1.00 0.00 N ATOM 299 CA ALA A 52 -2.259 -6.380 6.779 1.00 0.00 C ATOM 300 C ALA A 52 -3.563 -5.673 6.371 1.00 0.00 C ATOM 301 O ALA A 52 -3.545 -4.476 6.081 1.00 0.00 O ATOM 302 CB ALA A 52 -1.774 -7.336 5.682 1.00 0.00 C ATOM 0 H ALA A 52 -2.214 -8.120 7.923 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.521 -5.591 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.664 -6.789 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.812 -7.761 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.500 -8.138 5.551 1.00 0.00 H new ATOM 308 N ILE A 53 -4.694 -6.399 6.376 1.00 0.00 N ATOM 309 CA ILE A 53 -6.018 -5.844 6.051 1.00 0.00 C ATOM 310 C ILE A 53 -6.351 -4.690 7.002 1.00 0.00 C ATOM 311 O ILE A 53 -6.690 -3.598 6.547 1.00 0.00 O ATOM 312 CB ILE A 53 -7.132 -6.924 6.070 1.00 0.00 C ATOM 313 CG1 ILE A 53 -6.794 -8.143 5.177 1.00 0.00 C ATOM 314 CG2 ILE A 53 -8.468 -6.324 5.595 1.00 0.00 C ATOM 315 CD1 ILE A 53 -6.336 -9.341 6.008 1.00 0.00 C ATOM 0 H ILE A 53 -4.715 -7.392 6.607 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.975 -5.462 5.031 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.211 -7.267 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.671 -8.420 4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.011 -7.870 4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.240 -7.094 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.755 -5.506 6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.356 -5.947 4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.108 -10.177 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.444 -9.072 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.129 -9.630 6.698 1.00 0.00 H new ATOM 327 N LEU A 54 -6.208 -4.919 8.316 1.00 0.00 N ATOM 328 CA LEU A 54 -6.468 -3.919 9.355 1.00 0.00 C ATOM 329 C LEU A 54 -5.631 -2.662 9.107 1.00 0.00 C ATOM 330 O LEU A 54 -6.189 -1.568 9.017 1.00 0.00 O ATOM 331 CB LEU A 54 -6.158 -4.477 10.760 1.00 0.00 C ATOM 332 CG LEU A 54 -6.847 -5.809 11.112 1.00 0.00 C ATOM 333 CD1 LEU A 54 -6.138 -6.480 12.299 1.00 0.00 C ATOM 334 CD2 LEU A 54 -8.349 -5.647 11.389 1.00 0.00 C ATOM 0 H LEU A 54 -5.904 -5.818 8.689 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.527 -3.664 9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.080 -4.611 10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.448 -3.731 11.500 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.763 -6.454 10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.636 -7.420 12.536 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.098 -6.676 12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.176 -5.820 13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.781 -6.618 11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.493 -4.966 12.228 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.840 -5.242 10.504 1.00 0.00 H new ATOM 346 N PHE A 55 -4.306 -2.833 8.973 1.00 0.00 N ATOM 347 CA PHE A 55 -3.358 -1.751 8.725 1.00 0.00 C ATOM 348 C PHE A 55 -3.739 -0.963 7.475 1.00 0.00 C ATOM 349 O PHE A 55 -3.837 0.263 7.535 1.00 0.00 O ATOM 350 CB PHE A 55 -1.927 -2.298 8.635 1.00 0.00 C ATOM 351 CG PHE A 55 -0.870 -1.219 8.785 1.00 0.00 C ATOM 352 CD1 PHE A 55 -0.731 -0.558 10.022 1.00 0.00 C ATOM 353 CD2 PHE A 55 -0.028 -0.877 7.711 1.00 0.00 C ATOM 354 CE1 PHE A 55 0.241 0.444 10.184 1.00 0.00 C ATOM 355 CE2 PHE A 55 0.948 0.125 7.875 1.00 0.00 C ATOM 356 CZ PHE A 55 1.082 0.785 9.109 1.00 0.00 C ATOM 0 H PHE A 55 -3.861 -3.749 9.036 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.398 -1.060 9.567 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.782 -3.051 9.410 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.795 -2.798 7.676 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.374 -0.823 10.849 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.130 -1.382 6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.342 0.951 11.132 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.595 0.387 7.051 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.831 1.554 9.232 1.00 0.00 H new ATOM 366 N GLY A 56 -4.025 -1.660 6.370 1.00 0.00 N ATOM 367 CA GLY A 56 -4.461 -1.042 5.127 1.00 0.00 C ATOM 368 C GLY A 56 -5.737 -0.205 5.277 1.00 0.00 C ATOM 369 O GLY A 56 -5.792 0.910 4.759 1.00 0.00 O ATOM 0 H GLY A 56 -3.958 -2.677 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.661 -0.407 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.631 -1.820 4.383 1.00 0.00 H new ATOM 373 N VAL A 57 -6.741 -0.707 6.007 1.00 0.00 N ATOM 374 CA VAL A 57 -8.009 0.002 6.260 1.00 0.00 C ATOM 375 C VAL A 57 -7.764 1.312 7.013 1.00 0.00 C ATOM 376 O VAL A 57 -8.084 2.387 6.498 1.00 0.00 O ATOM 377 CB VAL A 57 -9.006 -0.894 7.026 1.00 0.00 C ATOM 378 CG1 VAL A 57 -10.276 -0.122 7.421 1.00 0.00 C ATOM 379 CG2 VAL A 57 -9.423 -2.128 6.209 1.00 0.00 C ATOM 0 H VAL A 57 -6.699 -1.627 6.445 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.452 0.245 5.294 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.480 -1.220 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.953 -0.786 7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.007 0.718 8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.769 0.250 6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.125 -2.728 6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.899 -1.807 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.541 -2.725 5.976 1.00 0.00 H new ATOM 389 N ARG A 58 -7.193 1.228 8.228 1.00 0.00 N ATOM 390 CA ARG A 58 -6.902 2.413 9.051 1.00 0.00 C ATOM 391 C ARG A 58 -5.999 3.398 8.307 1.00 0.00 C ATOM 392 O ARG A 58 -6.257 4.599 8.350 1.00 0.00 O ATOM 393 CB ARG A 58 -6.337 2.025 10.433 1.00 0.00 C ATOM 394 CG ARG A 58 -4.992 1.286 10.361 1.00 0.00 C ATOM 395 CD ARG A 58 -4.474 0.830 11.724 1.00 0.00 C ATOM 396 NE ARG A 58 -3.453 1.760 12.236 1.00 0.00 N ATOM 397 CZ ARG A 58 -2.725 1.601 13.332 1.00 0.00 C ATOM 398 NH1 ARG A 58 -2.917 0.579 14.132 1.00 0.00 N ATOM 399 NH2 ARG A 58 -1.789 2.470 13.636 1.00 0.00 N ATOM 0 H ARG A 58 -6.923 0.346 8.663 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.846 2.926 9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.215 2.927 11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.061 1.395 10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.098 0.417 9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.252 1.939 9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.302 0.768 12.430 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.051 -0.171 11.640 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.290 2.609 11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.637 -0.110 13.915 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.346 0.474 14.971 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.620 3.271 13.028 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.231 2.344 14.480 1.00 0.00 H new ATOM 413 N SER A 59 -4.982 2.890 7.599 1.00 0.00 N ATOM 414 CA SER A 59 -4.053 3.689 6.803 1.00 0.00 C ATOM 415 C SER A 59 -4.776 4.429 5.681 1.00 0.00 C ATOM 416 O SER A 59 -4.643 5.643 5.587 1.00 0.00 O ATOM 417 CB SER A 59 -2.943 2.806 6.232 1.00 0.00 C ATOM 418 OG SER A 59 -2.029 3.605 5.516 1.00 0.00 O ATOM 0 H SER A 59 -4.781 1.890 7.566 1.00 0.00 H new ATOM 0 HA SER A 59 -3.606 4.435 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.430 2.281 7.038 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.369 2.046 5.577 1.00 0.00 H new ATOM 0 HG SER A 59 -1.316 3.040 5.151 1.00 0.00 H new ATOM 424 N GLY A 60 -5.580 3.734 4.864 1.00 0.00 N ATOM 425 CA GLY A 60 -6.341 4.343 3.772 1.00 0.00 C ATOM 426 C GLY A 60 -7.254 5.474 4.242 1.00 0.00 C ATOM 427 O GLY A 60 -7.224 6.569 3.676 1.00 0.00 O ATOM 0 H GLY A 60 -5.719 2.727 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.648 4.729 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.943 3.576 3.283 1.00 0.00 H new ATOM 431 N ALA A 61 -8.030 5.227 5.304 1.00 0.00 N ATOM 432 CA ALA A 61 -8.880 6.249 5.906 1.00 0.00 C ATOM 433 C ALA A 61 -8.056 7.426 6.459 1.00 0.00 C ATOM 434 O ALA A 61 -8.351 8.579 6.131 1.00 0.00 O ATOM 435 CB ALA A 61 -9.759 5.604 6.980 1.00 0.00 C ATOM 0 H ALA A 61 -8.083 4.318 5.764 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.525 6.673 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.396 6.363 7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.381 4.832 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.127 5.156 7.747 1.00 0.00 H new ATOM 441 N ALA A 62 -7.009 7.142 7.253 1.00 0.00 N ATOM 442 CA ALA A 62 -6.085 8.143 7.787 1.00 0.00 C ATOM 443 C ALA A 62 -5.402 8.970 6.681 1.00 0.00 C ATOM 444 O ALA A 62 -5.258 10.181 6.825 1.00 0.00 O ATOM 445 CB ALA A 62 -5.057 7.470 8.701 1.00 0.00 C ATOM 0 H ALA A 62 -6.782 6.191 7.544 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.669 8.852 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.373 8.222 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.571 6.979 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.494 6.729 8.133 1.00 0.00 H new ATOM 451 N ALA A 63 -5.024 8.346 5.563 1.00 0.00 N ATOM 452 CA ALA A 63 -4.458 9.020 4.402 1.00 0.00 C ATOM 453 C ALA A 63 -5.486 9.941 3.736 1.00 0.00 C ATOM 454 O ALA A 63 -5.207 11.122 3.554 1.00 0.00 O ATOM 455 CB ALA A 63 -3.888 7.981 3.430 1.00 0.00 C ATOM 0 H ALA A 63 -5.106 7.337 5.441 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.639 9.663 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.465 8.488 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.109 7.405 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.684 7.310 3.106 1.00 0.00 H new ATOM 461 N LEU A 64 -6.691 9.443 3.424 1.00 0.00 N ATOM 462 CA LEU A 64 -7.768 10.255 2.851 1.00 0.00 C ATOM 463 C LEU A 64 -8.052 11.499 3.703 1.00 0.00 C ATOM 464 O LEU A 64 -8.082 12.607 3.161 1.00 0.00 O ATOM 465 CB LEU A 64 -9.007 9.372 2.624 1.00 0.00 C ATOM 466 CG LEU A 64 -10.287 10.136 2.211 1.00 0.00 C ATOM 467 CD1 LEU A 64 -11.128 9.275 1.265 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.154 10.512 3.424 1.00 0.00 C ATOM 0 H LEU A 64 -6.944 8.465 3.563 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.457 10.641 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.775 8.638 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.212 8.818 3.540 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.964 11.052 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.027 9.821 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.547 9.041 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.409 8.350 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.041 11.047 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.455 9.606 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.581 11.150 4.097 1.00 0.00 H new ATOM 480 N THR A 65 -8.231 11.336 5.024 1.00 0.00 N ATOM 481 CA THR A 65 -8.455 12.488 5.910 1.00 0.00 C ATOM 482 C THR A 65 -7.263 13.450 5.910 1.00 0.00 C ATOM 483 O THR A 65 -7.491 14.654 5.795 1.00 0.00 O ATOM 484 CB THR A 65 -8.893 12.094 7.331 1.00 0.00 C ATOM 485 OG1 THR A 65 -9.206 13.240 8.088 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.842 11.331 8.117 1.00 0.00 C ATOM 0 H THR A 65 -8.225 10.432 5.496 1.00 0.00 H new ATOM 0 HA THR A 65 -9.303 13.028 5.488 1.00 0.00 H new ATOM 0 HB THR A 65 -9.756 11.446 7.181 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.484 12.971 8.988 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.230 11.092 9.107 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.593 10.409 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.946 11.944 8.217 1.00 0.00 H new ATOM 494 N LEU A 66 -6.013 12.952 5.957 1.00 0.00 N ATOM 495 CA LEU A 66 -4.819 13.807 5.913 1.00 0.00 C ATOM 496 C LEU A 66 -4.742 14.598 4.600 1.00 0.00 C ATOM 497 O LEU A 66 -4.354 15.759 4.614 1.00 0.00 O ATOM 498 CB LEU A 66 -3.529 13.024 6.256 1.00 0.00 C ATOM 499 CG LEU A 66 -2.561 12.677 5.098 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.621 13.846 4.755 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.703 11.446 5.414 1.00 0.00 C ATOM 0 H LEU A 66 -5.807 11.955 6.026 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.912 14.554 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.973 13.602 6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.822 12.091 6.737 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.200 12.465 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.961 13.555 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.211 14.711 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.023 14.101 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.039 11.240 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.109 11.636 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.350 10.586 5.585 1.00 0.00 H new ATOM 513 N ILE A 67 -5.127 14.000 3.468 1.00 0.00 N ATOM 514 CA ILE A 67 -5.082 14.658 2.159 1.00 0.00 C ATOM 515 C ILE A 67 -6.131 15.765 2.098 1.00 0.00 C ATOM 516 O ILE A 67 -5.787 16.920 1.841 1.00 0.00 O ATOM 517 CB ILE A 67 -5.272 13.625 1.033 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.096 12.629 1.017 1.00 0.00 C ATOM 519 CG2 ILE A 67 -5.385 14.300 -0.346 1.00 0.00 C ATOM 520 CD1 ILE A 67 -4.504 11.295 0.389 1.00 0.00 C ATOM 0 H ILE A 67 -5.479 13.043 3.434 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.103 15.117 2.017 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.203 13.095 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.263 13.056 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.745 12.461 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.518 13.538 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.241 14.975 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.476 14.866 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.652 10.615 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.320 10.857 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.831 11.461 -0.638 1.00 0.00 H new ATOM 532 N VAL A 68 -7.403 15.429 2.358 1.00 0.00 N ATOM 533 CA VAL A 68 -8.486 16.416 2.284 1.00 0.00 C ATOM 534 C VAL A 68 -8.242 17.567 3.266 1.00 0.00 C ATOM 535 O VAL A 68 -8.386 18.726 2.867 1.00 0.00 O ATOM 536 CB VAL A 68 -9.893 15.796 2.441 1.00 0.00 C ATOM 537 CG1 VAL A 68 -10.122 14.608 1.486 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.213 15.362 3.876 1.00 0.00 C ATOM 0 H VAL A 68 -7.704 14.490 2.619 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.469 16.827 1.275 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.576 16.603 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.125 14.208 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.016 14.945 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.387 13.830 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.216 14.936 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.489 14.614 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.162 16.227 4.538 1.00 0.00 H new ATOM 548 N VAL A 69 -7.811 17.265 4.507 1.00 0.00 N ATOM 549 CA VAL A 69 -7.483 18.284 5.513 1.00 0.00 C ATOM 550 C VAL A 69 -6.262 19.102 5.092 1.00 0.00 C ATOM 551 O VAL A 69 -6.288 20.320 5.231 1.00 0.00 O ATOM 552 CB VAL A 69 -7.344 17.712 6.941 1.00 0.00 C ATOM 553 CG1 VAL A 69 -6.002 17.038 7.209 1.00 0.00 C ATOM 554 CG2 VAL A 69 -7.519 18.808 7.998 1.00 0.00 C ATOM 0 H VAL A 69 -7.682 16.308 4.836 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.336 18.962 5.559 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.132 16.962 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.981 16.662 8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.866 16.209 6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.198 17.761 7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.416 18.374 8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.758 19.575 7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.508 19.255 7.898 1.00 0.00 H new ATOM 564 N TRP A 70 -5.214 18.478 4.533 1.00 0.00 N ATOM 565 CA TRP A 70 -4.020 19.184 4.071 1.00 0.00 C ATOM 566 C TRP A 70 -4.347 20.199 2.975 1.00 0.00 C ATOM 567 O TRP A 70 -3.832 21.314 3.033 1.00 0.00 O ATOM 568 CB TRP A 70 -2.950 18.186 3.609 1.00 0.00 C ATOM 569 CG TRP A 70 -1.741 18.774 2.953 1.00 0.00 C ATOM 570 CD1 TRP A 70 -1.071 19.864 3.378 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.057 18.341 1.740 1.00 0.00 C ATOM 572 NE1 TRP A 70 -0.037 20.151 2.519 1.00 0.00 N ATOM 573 CE2 TRP A 70 0.017 19.246 1.481 1.00 0.00 C ATOM 574 CE3 TRP A 70 -1.244 17.281 0.826 1.00 0.00 C ATOM 575 CZ2 TRP A 70 0.854 19.117 0.364 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -0.406 17.138 -0.295 1.00 0.00 C ATOM 577 CH2 TRP A 70 0.636 18.055 -0.530 1.00 0.00 C ATOM 0 H TRP A 70 -5.175 17.469 4.391 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.620 19.748 4.914 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.624 17.608 4.474 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.412 17.486 2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.312 20.430 4.266 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.607 20.933 2.635 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.041 16.571 0.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.654 19.823 0.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.563 16.318 -0.981 1.00 0.00 H new ATOM 0 HH2 TRP A 70 1.268 17.942 -1.398 1.00 0.00 H new ATOM 588 N ILE A 71 -5.229 19.853 2.028 1.00 0.00 N ATOM 589 CA ILE A 71 -5.669 20.774 0.976 1.00 0.00 C ATOM 590 C ILE A 71 -6.484 21.929 1.575 1.00 0.00 C ATOM 591 O ILE A 71 -6.107 23.086 1.398 1.00 0.00 O ATOM 592 CB ILE A 71 -6.402 20.015 -0.164 1.00 0.00 C ATOM 593 CG1 ILE A 71 -5.391 19.472 -1.204 1.00 0.00 C ATOM 594 CG2 ILE A 71 -7.399 20.918 -0.923 1.00 0.00 C ATOM 595 CD1 ILE A 71 -4.550 18.281 -0.738 1.00 0.00 C ATOM 0 H ILE A 71 -5.656 18.928 1.971 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.794 21.228 0.510 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.942 19.201 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.938 19.181 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.719 20.281 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.886 20.342 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.151 21.293 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.864 21.758 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.875 17.977 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.968 18.567 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.207 17.450 -0.482 1.00 0.00 H new ATOM 607 N THR A 72 -7.591 21.635 2.271 1.00 0.00 N ATOM 608 CA THR A 72 -8.500 22.669 2.802 1.00 0.00 C ATOM 609 C THR A 72 -7.835 23.543 3.869 1.00 0.00 C ATOM 610 O THR A 72 -7.900 24.767 3.790 1.00 0.00 O ATOM 611 CB THR A 72 -9.812 22.042 3.304 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.735 23.039 3.655 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.648 21.128 4.514 1.00 0.00 C ATOM 0 H THR A 72 -7.883 20.681 2.483 1.00 0.00 H new ATOM 0 HA THR A 72 -8.746 23.338 1.977 1.00 0.00 H new ATOM 0 HB THR A 72 -10.165 21.437 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.564 22.621 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.620 20.728 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.978 20.306 4.261 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.228 21.696 5.344 1.00 0.00 H new ATOM 621 N SER A 73 -7.136 22.929 4.833 1.00 0.00 N ATOM 622 CA SER A 73 -6.425 23.621 5.910 1.00 0.00 C ATOM 623 C SER A 73 -5.092 24.221 5.454 1.00 0.00 C ATOM 624 O SER A 73 -4.453 24.899 6.261 1.00 0.00 O ATOM 625 CB SER A 73 -6.178 22.648 7.073 1.00 0.00 C ATOM 626 OG SER A 73 -5.844 23.346 8.255 1.00 0.00 O ATOM 0 H SER A 73 -7.049 21.914 4.885 1.00 0.00 H new ATOM 0 HA SER A 73 -7.058 24.449 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.070 22.044 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.373 21.961 6.812 1.00 0.00 H new ATOM 0 HG SER A 73 -5.280 24.116 8.032 1.00 0.00 H new ATOM 632 N ARG A 74 -4.660 23.954 4.204 1.00 0.00 N ATOM 633 CA ARG A 74 -3.347 24.309 3.643 1.00 0.00 C ATOM 634 C ARG A 74 -2.219 24.069 4.657 1.00 0.00 C ATOM 635 O ARG A 74 -1.371 24.935 4.876 1.00 0.00 O ATOM 636 CB ARG A 74 -3.385 25.748 3.095 1.00 0.00 C ATOM 637 CG ARG A 74 -4.224 25.923 1.818 1.00 0.00 C ATOM 638 CD ARG A 74 -3.576 25.239 0.601 1.00 0.00 C ATOM 639 NE ARG A 74 -4.075 25.791 -0.676 1.00 0.00 N ATOM 640 CZ ARG A 74 -3.734 25.398 -1.902 1.00 0.00 C ATOM 641 NH1 ARG A 74 -2.888 24.415 -2.101 1.00 0.00 N ATOM 642 NH2 ARG A 74 -4.238 25.998 -2.959 1.00 0.00 N ATOM 0 H ARG A 74 -5.247 23.462 3.530 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.123 23.652 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.781 26.407 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.365 26.073 2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.219 25.508 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.351 26.986 1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.494 25.361 0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.778 24.168 0.637 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.751 26.552 -0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.473 23.930 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.645 24.136 -3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.895 26.770 -2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.972 25.691 -3.895 1.00 0.00 H new ATOM 656 N SER A 75 -2.236 22.888 5.294 1.00 0.00 N ATOM 657 CA SER A 75 -1.189 22.485 6.243 1.00 0.00 C ATOM 658 C SER A 75 0.193 22.508 5.561 1.00 0.00 C ATOM 659 O SER A 75 0.311 22.509 4.329 1.00 0.00 O ATOM 660 CB SER A 75 -1.531 21.141 6.921 1.00 0.00 C ATOM 661 OG SER A 75 -0.396 20.563 7.533 1.00 0.00 O ATOM 0 H SER A 75 -2.970 22.191 5.167 1.00 0.00 H new ATOM 0 HA SER A 75 -1.142 23.212 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.308 21.298 7.669 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.936 20.452 6.180 1.00 0.00 H new ATOM 0 HG SER A 75 -0.648 19.715 7.954 1.00 0.00 H new ATOM 667 N ARG A 76 1.251 22.562 6.378 1.00 0.00 N ATOM 668 CA ARG A 76 2.637 22.626 5.919 1.00 0.00 C ATOM 669 C ARG A 76 2.946 21.462 4.965 1.00 0.00 C ATOM 670 O ARG A 76 2.311 20.409 5.016 1.00 0.00 O ATOM 671 CB ARG A 76 3.573 22.632 7.147 1.00 0.00 C ATOM 672 CG ARG A 76 4.895 23.390 6.931 1.00 0.00 C ATOM 673 CD ARG A 76 4.721 24.911 6.764 1.00 0.00 C ATOM 674 NE ARG A 76 4.094 25.542 7.944 1.00 0.00 N ATOM 675 CZ ARG A 76 3.548 26.753 8.012 1.00 0.00 C ATOM 676 NH1 ARG A 76 3.568 27.572 6.986 1.00 0.00 N ATOM 677 NH2 ARG A 76 2.972 27.169 9.118 1.00 0.00 N ATOM 0 H ARG A 76 1.163 22.562 7.394 1.00 0.00 H new ATOM 0 HA ARG A 76 2.800 23.545 5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.045 23.079 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.799 21.602 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.554 23.200 7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.391 22.991 6.046 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.695 25.367 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.111 25.109 5.883 1.00 0.00 H new ATOM 0 HE ARG A 76 4.078 24.988 8.800 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.009 27.284 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.142 28.496 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.940 26.561 9.936 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.557 28.100 9.158 1.00 0.00 H new ATOM 691 N LYS A 77 3.950 21.650 4.100 1.00 0.00 N ATOM 692 CA LYS A 77 4.424 20.590 3.208 1.00 0.00 C ATOM 693 C LYS A 77 4.810 19.342 4.000 1.00 0.00 C ATOM 694 O LYS A 77 5.237 19.406 5.151 1.00 0.00 O ATOM 695 CB LYS A 77 5.625 21.038 2.355 1.00 0.00 C ATOM 696 CG LYS A 77 5.222 21.699 1.028 1.00 0.00 C ATOM 697 CD LYS A 77 4.931 23.205 1.107 1.00 0.00 C ATOM 698 CE LYS A 77 6.195 24.064 0.954 1.00 0.00 C ATOM 699 NZ LYS A 77 7.074 24.025 2.146 1.00 0.00 N ATOM 0 H LYS A 77 4.451 22.533 4.000 1.00 0.00 H new ATOM 0 HA LYS A 77 3.596 20.359 2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.229 21.738 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.254 20.173 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.020 21.537 0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.336 21.194 0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.218 23.474 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.458 23.429 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.757 23.721 0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.904 25.096 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.696 24.859 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.491 24.028 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.653 23.161 2.122 1.00 0.00 H new ATOM 713 N THR A 78 4.703 18.212 3.317 1.00 0.00 N ATOM 714 CA THR A 78 4.935 16.874 3.840 1.00 0.00 C ATOM 715 C THR A 78 6.198 16.270 3.224 1.00 0.00 C ATOM 716 O THR A 78 6.601 16.657 2.123 1.00 0.00 O ATOM 717 CB THR A 78 3.707 15.992 3.549 1.00 0.00 C ATOM 718 OG1 THR A 78 3.012 16.443 2.407 1.00 0.00 O ATOM 719 CG2 THR A 78 2.731 16.032 4.724 1.00 0.00 C ATOM 0 H THR A 78 4.438 18.203 2.332 1.00 0.00 H new ATOM 0 HA THR A 78 5.084 16.929 4.918 1.00 0.00 H new ATOM 0 HB THR A 78 4.075 14.979 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.069 16.186 2.476 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.869 15.403 4.502 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.227 15.664 5.622 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.400 17.058 4.887 1.00 0.00 H new ATOM 727 N PRO A 79 6.845 15.319 3.920 1.00 0.00 N ATOM 728 CA PRO A 79 8.052 14.675 3.420 1.00 0.00 C ATOM 729 C PRO A 79 7.738 13.789 2.207 1.00 0.00 C ATOM 730 O PRO A 79 6.649 13.221 2.092 1.00 0.00 O ATOM 731 CB PRO A 79 8.608 13.875 4.605 1.00 0.00 C ATOM 732 CG PRO A 79 7.371 13.582 5.448 1.00 0.00 C ATOM 733 CD PRO A 79 6.479 14.798 5.228 1.00 0.00 C ATOM 0 HA PRO A 79 8.788 15.395 3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.096 12.958 4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.348 14.447 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.879 12.663 5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.625 13.459 6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.425 14.522 5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.636 15.545 6.006 1.00 0.00 H new ATOM 741 N ILE A 80 8.746 13.606 1.348 1.00 0.00 N ATOM 742 CA ILE A 80 8.688 12.726 0.174 1.00 0.00 C ATOM 743 C ILE A 80 8.149 11.326 0.506 1.00 0.00 C ATOM 744 O ILE A 80 7.336 10.795 -0.244 1.00 0.00 O ATOM 745 CB ILE A 80 10.070 12.624 -0.516 1.00 0.00 C ATOM 746 CG1 ILE A 80 11.220 12.281 0.470 1.00 0.00 C ATOM 747 CG2 ILE A 80 10.385 13.914 -1.294 1.00 0.00 C ATOM 748 CD1 ILE A 80 12.096 11.117 0.002 1.00 0.00 C ATOM 0 H ILE A 80 9.646 14.076 1.451 1.00 0.00 H new ATOM 0 HA ILE A 80 7.982 13.185 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 80 10.006 11.791 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.845 13.163 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.793 12.037 1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.361 13.822 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.622 14.075 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.396 14.760 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.878 10.932 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.483 10.222 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.551 11.367 -0.956 1.00 0.00 H new ATOM 760 N PHE A 81 8.546 10.756 1.650 1.00 0.00 N ATOM 761 CA PHE A 81 8.081 9.458 2.136 1.00 0.00 C ATOM 762 C PHE A 81 6.565 9.419 2.353 1.00 0.00 C ATOM 763 O PHE A 81 5.918 8.488 1.876 1.00 0.00 O ATOM 764 CB PHE A 81 8.840 9.087 3.420 1.00 0.00 C ATOM 765 CG PHE A 81 10.250 8.584 3.170 1.00 0.00 C ATOM 766 CD1 PHE A 81 10.435 7.365 2.490 1.00 0.00 C ATOM 767 CD2 PHE A 81 11.372 9.313 3.612 1.00 0.00 C ATOM 768 CE1 PHE A 81 11.730 6.881 2.240 1.00 0.00 C ATOM 769 CE2 PHE A 81 12.671 8.826 3.364 1.00 0.00 C ATOM 770 CZ PHE A 81 12.849 7.613 2.675 1.00 0.00 C ATOM 0 H PHE A 81 9.217 11.199 2.277 1.00 0.00 H new ATOM 0 HA PHE A 81 8.293 8.716 1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.885 9.961 4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.279 8.320 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.577 6.799 2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.236 10.245 4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.866 5.948 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 81 13.531 9.385 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.845 7.244 2.480 1.00 0.00 H new ATOM 780 N ILE A 82 5.997 10.442 3.011 1.00 0.00 N ATOM 781 CA ILE A 82 4.551 10.587 3.230 1.00 0.00 C ATOM 782 C ILE A 82 3.832 10.640 1.877 1.00 0.00 C ATOM 783 O ILE A 82 2.883 9.891 1.659 1.00 0.00 O ATOM 784 CB ILE A 82 4.242 11.819 4.121 1.00 0.00 C ATOM 785 CG1 ILE A 82 4.234 11.522 5.641 1.00 0.00 C ATOM 786 CG2 ILE A 82 2.884 12.469 3.803 1.00 0.00 C ATOM 787 CD1 ILE A 82 5.348 10.621 6.194 1.00 0.00 C ATOM 0 H ILE A 82 6.541 11.205 3.413 1.00 0.00 H new ATOM 0 HA ILE A 82 4.176 9.720 3.773 1.00 0.00 H new ATOM 0 HB ILE A 82 5.065 12.492 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.278 12.474 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.277 11.064 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.727 13.325 4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.874 12.802 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.087 11.742 3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.218 10.500 7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.301 9.645 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.318 11.078 5.995 1.00 0.00 H new ATOM 799 N ILE A 83 4.279 11.502 0.954 1.00 0.00 N ATOM 800 CA ILE A 83 3.619 11.620 -0.354 1.00 0.00 C ATOM 801 C ILE A 83 3.745 10.326 -1.166 1.00 0.00 C ATOM 802 O ILE A 83 2.774 9.923 -1.811 1.00 0.00 O ATOM 803 CB ILE A 83 4.136 12.831 -1.154 1.00 0.00 C ATOM 804 CG1 ILE A 83 4.005 14.159 -0.378 1.00 0.00 C ATOM 805 CG2 ILE A 83 3.383 12.932 -2.498 1.00 0.00 C ATOM 806 CD1 ILE A 83 2.572 14.526 0.036 1.00 0.00 C ATOM 0 H ILE A 83 5.081 12.119 1.084 1.00 0.00 H new ATOM 0 HA ILE A 83 2.560 11.789 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 83 5.199 12.667 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.623 14.102 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.408 14.964 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.753 13.790 -3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.547 12.023 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.316 13.055 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.580 15.473 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.949 14.620 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.168 13.745 0.681 1.00 0.00 H new ATOM 818 N ASN A 84 4.905 9.655 -1.097 1.00 0.00 N ATOM 819 CA ASN A 84 5.129 8.352 -1.712 1.00 0.00 C ATOM 820 C ASN A 84 4.079 7.348 -1.232 1.00 0.00 C ATOM 821 O ASN A 84 3.293 6.876 -2.052 1.00 0.00 O ATOM 822 CB ASN A 84 6.567 7.866 -1.454 1.00 0.00 C ATOM 823 CG ASN A 84 6.843 6.553 -2.176 1.00 0.00 C ATOM 824 OD1 ASN A 84 7.328 6.533 -3.297 1.00 0.00 O ATOM 825 ND2 ASN A 84 6.516 5.426 -1.570 1.00 0.00 N ATOM 0 H ASN A 84 5.722 10.014 -0.603 1.00 0.00 H new ATOM 0 HA ASN A 84 5.016 8.446 -2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.275 8.624 -1.789 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.723 7.735 -0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.668 4.533 -2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.111 5.449 -0.634 1.00 0.00 H new ATOM 832 N GLN A 85 4.041 7.037 0.076 1.00 0.00 N ATOM 833 CA GLN A 85 3.062 6.085 0.615 1.00 0.00 C ATOM 834 C GLN A 85 1.629 6.492 0.254 1.00 0.00 C ATOM 835 O GLN A 85 0.872 5.633 -0.188 1.00 0.00 O ATOM 836 CB GLN A 85 3.235 5.854 2.131 1.00 0.00 C ATOM 837 CG GLN A 85 3.013 7.116 2.972 1.00 0.00 C ATOM 838 CD GLN A 85 3.192 6.922 4.468 1.00 0.00 C ATOM 839 OE1 GLN A 85 4.274 7.067 5.012 1.00 0.00 O ATOM 840 NE2 GLN A 85 2.122 6.658 5.190 1.00 0.00 N ATOM 0 H GLN A 85 4.674 7.430 0.773 1.00 0.00 H new ATOM 0 HA GLN A 85 3.258 5.125 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 85 2.535 5.084 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.239 5.473 2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.705 7.888 2.634 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.005 7.488 2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.217 6.537 4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.199 6.575 6.204 1.00 0.00 H new ATOM 849 N VAL A 86 1.284 7.785 0.375 1.00 0.00 N ATOM 850 CA VAL A 86 -0.035 8.338 0.048 1.00 0.00 C ATOM 851 C VAL A 86 -0.404 8.027 -1.398 1.00 0.00 C ATOM 852 O VAL A 86 -1.333 7.255 -1.617 1.00 0.00 O ATOM 853 CB VAL A 86 -0.092 9.852 0.340 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.312 10.521 -0.303 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.143 10.130 1.850 1.00 0.00 C ATOM 0 H VAL A 86 1.936 8.492 0.713 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.776 7.860 0.689 1.00 0.00 H new ATOM 0 HB VAL A 86 0.818 10.270 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.308 11.586 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.273 10.387 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.223 10.067 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.182 11.206 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.030 9.662 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.748 9.720 2.326 1.00 0.00 H new ATOM 865 N SER A 87 0.301 8.617 -2.374 1.00 0.00 N ATOM 866 CA SER A 87 -0.020 8.469 -3.797 1.00 0.00 C ATOM 867 C SER A 87 -0.126 6.995 -4.180 1.00 0.00 C ATOM 868 O SER A 87 -1.156 6.579 -4.712 1.00 0.00 O ATOM 869 CB SER A 87 1.014 9.194 -4.659 1.00 0.00 C ATOM 870 OG SER A 87 0.683 9.021 -6.023 1.00 0.00 O ATOM 0 H SER A 87 1.111 9.211 -2.196 1.00 0.00 H new ATOM 0 HA SER A 87 -0.991 8.928 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.035 10.255 -4.409 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.011 8.800 -4.461 1.00 0.00 H new ATOM 0 HG SER A 87 1.342 9.485 -6.581 1.00 0.00 H new ATOM 876 N LEU A 88 0.880 6.190 -3.812 1.00 0.00 N ATOM 877 CA LEU A 88 0.873 4.743 -4.018 1.00 0.00 C ATOM 878 C LEU A 88 -0.430 4.123 -3.505 1.00 0.00 C ATOM 879 O LEU A 88 -1.102 3.437 -4.272 1.00 0.00 O ATOM 880 CB LEU A 88 2.106 4.104 -3.349 1.00 0.00 C ATOM 881 CG LEU A 88 3.380 4.025 -4.218 1.00 0.00 C ATOM 882 CD1 LEU A 88 3.265 2.887 -5.238 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.744 5.309 -4.974 1.00 0.00 C ATOM 0 H LEU A 88 1.727 6.532 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 88 0.927 4.542 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.340 4.669 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.842 3.095 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 88 4.180 3.849 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.172 2.846 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.135 1.940 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.406 3.064 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.653 5.145 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.930 5.579 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.908 6.117 -4.261 1.00 0.00 H new ATOM 895 N PHE A 89 -0.827 4.415 -2.259 1.00 0.00 N ATOM 896 CA PHE A 89 -2.080 3.939 -1.675 1.00 0.00 C ATOM 897 C PHE A 89 -3.299 4.221 -2.560 1.00 0.00 C ATOM 898 O PHE A 89 -4.083 3.307 -2.796 1.00 0.00 O ATOM 899 CB PHE A 89 -2.288 4.521 -0.267 1.00 0.00 C ATOM 900 CG PHE A 89 -2.755 3.480 0.717 1.00 0.00 C ATOM 901 CD1 PHE A 89 -1.814 2.625 1.322 1.00 0.00 C ATOM 902 CD2 PHE A 89 -4.126 3.330 0.987 1.00 0.00 C ATOM 903 CE1 PHE A 89 -2.247 1.605 2.184 1.00 0.00 C ATOM 904 CE2 PHE A 89 -4.559 2.299 1.833 1.00 0.00 C ATOM 905 CZ PHE A 89 -3.620 1.439 2.421 1.00 0.00 C ATOM 0 H PHE A 89 -0.278 4.995 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.990 2.855 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.354 4.958 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.019 5.328 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.760 2.754 1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.843 4.006 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.529 0.954 2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.612 2.168 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.958 0.640 3.064 1.00 0.00 H new ATOM 915 N LEU A 90 -3.450 5.451 -3.074 1.00 0.00 N ATOM 916 CA LEU A 90 -4.567 5.828 -3.952 1.00 0.00 C ATOM 917 C LEU A 90 -4.605 4.974 -5.228 1.00 0.00 C ATOM 918 O LEU A 90 -5.653 4.407 -5.552 1.00 0.00 O ATOM 919 CB LEU A 90 -4.505 7.321 -4.341 1.00 0.00 C ATOM 920 CG LEU A 90 -4.955 8.357 -3.297 1.00 0.00 C ATOM 921 CD1 LEU A 90 -6.328 8.062 -2.692 1.00 0.00 C ATOM 922 CD2 LEU A 90 -3.953 8.532 -2.166 1.00 0.00 C ATOM 0 H LEU A 90 -2.798 6.214 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.478 5.647 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.477 7.552 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.115 7.459 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.021 9.285 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.579 8.834 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.079 8.050 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.307 7.091 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.326 9.275 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.815 7.581 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.999 8.865 -2.574 1.00 0.00 H new ATOM 934 N ILE A 91 -3.482 4.888 -5.957 1.00 0.00 N ATOM 935 CA ILE A 91 -3.410 4.077 -7.180 1.00 0.00 C ATOM 936 C ILE A 91 -3.657 2.597 -6.865 1.00 0.00 C ATOM 937 O ILE A 91 -4.484 1.968 -7.527 1.00 0.00 O ATOM 938 CB ILE A 91 -2.076 4.272 -7.938 1.00 0.00 C ATOM 939 CG1 ILE A 91 -1.931 5.701 -8.520 1.00 0.00 C ATOM 940 CG2 ILE A 91 -1.982 3.268 -9.107 1.00 0.00 C ATOM 941 CD1 ILE A 91 -1.018 6.624 -7.710 1.00 0.00 C ATOM 0 H ILE A 91 -2.614 5.369 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.201 4.425 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.278 4.108 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.544 5.629 -9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.920 6.155 -8.587 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.040 3.412 -9.636 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.028 2.251 -8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.812 3.431 -9.794 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.974 7.603 -8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.413 6.731 -6.700 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.016 6.197 -7.665 1.00 0.00 H new ATOM 953 N ILE A 92 -2.959 2.044 -5.865 1.00 0.00 N ATOM 954 CA ILE A 92 -3.089 0.642 -5.454 1.00 0.00 C ATOM 955 C ILE A 92 -4.540 0.332 -5.074 1.00 0.00 C ATOM 956 O ILE A 92 -5.065 -0.691 -5.514 1.00 0.00 O ATOM 957 CB ILE A 92 -2.105 0.309 -4.309 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.637 0.413 -4.787 1.00 0.00 C ATOM 959 CG2 ILE A 92 -2.366 -1.106 -3.759 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.349 0.561 -3.620 1.00 0.00 C ATOM 0 H ILE A 92 -2.279 2.566 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.825 0.002 -6.296 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.269 1.038 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.382 -0.476 -5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.535 1.268 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.662 -1.319 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.385 -1.165 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.236 -1.836 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.365 0.630 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.114 1.464 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.269 -0.306 -2.964 1.00 0.00 H new ATOM 972 N LEU A 93 -5.205 1.228 -4.328 1.00 0.00 N ATOM 973 CA LEU A 93 -6.631 1.131 -4.022 1.00 0.00 C ATOM 974 C LEU A 93 -7.461 1.029 -5.298 1.00 0.00 C ATOM 975 O LEU A 93 -8.180 0.046 -5.457 1.00 0.00 O ATOM 976 CB LEU A 93 -7.105 2.320 -3.160 1.00 0.00 C ATOM 977 CG LEU A 93 -6.939 2.075 -1.651 1.00 0.00 C ATOM 978 CD1 LEU A 93 -7.179 3.385 -0.895 1.00 0.00 C ATOM 979 CD2 LEU A 93 -7.923 1.007 -1.139 1.00 0.00 C ATOM 0 H LEU A 93 -4.758 2.048 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.778 0.218 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.544 3.211 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.154 2.522 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.925 1.715 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.062 3.214 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.457 4.133 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.189 3.742 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.777 0.860 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.946 1.336 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.744 0.067 -1.662 1.00 0.00 H new ATOM 991 N HIS A 94 -7.358 2.008 -6.206 1.00 0.00 N ATOM 992 CA HIS A 94 -8.141 2.006 -7.444 1.00 0.00 C ATOM 993 C HIS A 94 -7.890 0.735 -8.266 1.00 0.00 C ATOM 994 O HIS A 94 -8.845 0.082 -8.688 1.00 0.00 O ATOM 995 CB HIS A 94 -7.856 3.273 -8.264 1.00 0.00 C ATOM 996 CG HIS A 94 -8.944 3.584 -9.266 1.00 0.00 C ATOM 997 ND1 HIS A 94 -9.823 4.640 -9.180 1.00 0.00 N ATOM 998 CD2 HIS A 94 -9.258 2.878 -10.399 1.00 0.00 C ATOM 999 CE1 HIS A 94 -10.642 4.580 -10.245 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -10.342 3.519 -11.010 1.00 0.00 N ATOM 0 H HIS A 94 -6.738 2.812 -6.104 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.197 2.008 -7.176 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.740 4.119 -7.587 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.909 3.154 -8.790 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.759 1.989 -10.755 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.431 5.287 -10.455 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.812 3.235 -11.869 1.00 0.00 H new ATOM 1008 N SER A 95 -6.619 0.364 -8.456 1.00 0.00 N ATOM 1009 CA SER A 95 -6.212 -0.814 -9.220 1.00 0.00 C ATOM 1010 C SER A 95 -6.780 -2.106 -8.620 1.00 0.00 C ATOM 1011 O SER A 95 -7.481 -2.844 -9.316 1.00 0.00 O ATOM 1012 CB SER A 95 -4.685 -0.863 -9.332 1.00 0.00 C ATOM 1013 OG SER A 95 -4.329 -1.774 -10.350 1.00 0.00 O ATOM 0 H SER A 95 -5.831 0.887 -8.074 1.00 0.00 H new ATOM 0 HA SER A 95 -6.628 -0.732 -10.224 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.292 0.128 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.247 -1.170 -8.382 1.00 0.00 H new ATOM 0 HG SER A 95 -3.353 -1.810 -10.430 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.539 -2.354 -7.324 1.00 0.00 N ATOM 1020 CA ALA A 96 -7.045 -3.523 -6.604 1.00 0.00 C ATOM 1021 C ALA A 96 -8.581 -3.580 -6.573 1.00 0.00 C ATOM 1022 O ALA A 96 -9.156 -4.642 -6.830 1.00 0.00 O ATOM 1023 CB ALA A 96 -6.472 -3.518 -5.181 1.00 0.00 C ATOM 0 H ALA A 96 -5.977 -1.735 -6.740 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.718 -4.416 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.844 -4.386 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.384 -3.557 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.781 -2.608 -4.667 1.00 0.00 H new ATOM 1029 N LEU A 97 -9.243 -2.446 -6.287 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.700 -2.323 -6.325 1.00 0.00 C ATOM 1031 C LEU A 97 -11.240 -2.706 -7.702 1.00 0.00 C ATOM 1032 O LEU A 97 -12.080 -3.599 -7.776 1.00 0.00 O ATOM 1033 CB LEU A 97 -11.151 -0.898 -5.949 1.00 0.00 C ATOM 1034 CG LEU A 97 -11.108 -0.576 -4.442 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -11.359 0.920 -4.232 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -12.175 -1.361 -3.667 1.00 0.00 C ATOM 0 H LEU A 97 -8.771 -1.582 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.109 -3.013 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.520 -0.183 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.169 -0.749 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.124 -0.861 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.329 1.148 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.589 1.494 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.338 1.184 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.115 -1.109 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.164 -1.103 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.005 -2.430 -3.795 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.755 -2.060 -8.773 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.202 -2.324 -10.143 1.00 0.00 C ATOM 1050 C TYR A 98 -10.998 -3.793 -10.526 1.00 0.00 C ATOM 1051 O TYR A 98 -11.889 -4.400 -11.125 1.00 0.00 O ATOM 1052 CB TYR A 98 -10.478 -1.398 -11.133 1.00 0.00 C ATOM 1053 CG TYR A 98 -11.270 -1.117 -12.397 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -11.498 -2.136 -13.344 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -11.804 0.170 -12.612 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -12.279 -1.883 -14.485 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -12.575 0.433 -13.759 1.00 0.00 C ATOM 1058 CZ TYR A 98 -12.823 -0.596 -14.693 1.00 0.00 C ATOM 1059 OH TYR A 98 -13.595 -0.362 -15.786 1.00 0.00 O ATOM 0 H TYR A 98 -10.038 -1.337 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.271 -2.117 -10.191 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.255 -0.453 -10.637 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.523 -1.848 -11.406 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.070 -3.116 -13.192 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.621 0.956 -11.894 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.463 -2.671 -15.201 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.977 1.422 -13.925 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.893 0.572 -15.782 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.848 -4.370 -10.148 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.562 -5.784 -10.350 1.00 0.00 C ATOM 1071 C PHE A 99 -10.653 -6.640 -9.696 1.00 0.00 C ATOM 1072 O PHE A 99 -11.437 -7.255 -10.414 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.136 -6.116 -9.873 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.460 -7.234 -10.643 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.239 -7.087 -12.027 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -7.000 -8.390 -9.983 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -6.589 -8.101 -12.752 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -6.344 -9.401 -10.709 1.00 0.00 C ATOM 1079 CZ PHE A 99 -6.142 -9.259 -12.094 1.00 0.00 C ATOM 0 H PHE A 99 -9.091 -3.860 -9.692 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.584 -6.023 -11.413 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.523 -5.218 -9.948 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.174 -6.389 -8.818 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.570 -6.192 -12.533 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.151 -8.500 -8.919 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.433 -7.990 -13.815 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.995 -10.288 -10.202 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.644 -10.039 -12.651 1.00 0.00 H new ATOM 1089 N LYS A 100 -10.776 -6.628 -8.356 1.00 0.00 N ATOM 1090 CA LYS A 100 -11.760 -7.444 -7.612 1.00 0.00 C ATOM 1091 C LYS A 100 -13.213 -7.214 -8.065 1.00 0.00 C ATOM 1092 O LYS A 100 -14.008 -8.164 -8.079 1.00 0.00 O ATOM 1093 CB LYS A 100 -11.577 -7.259 -6.085 1.00 0.00 C ATOM 1094 CG LYS A 100 -12.750 -6.539 -5.395 1.00 0.00 C ATOM 1095 CD LYS A 100 -12.548 -6.311 -3.897 1.00 0.00 C ATOM 1096 CE LYS A 100 -13.573 -5.258 -3.455 1.00 0.00 C ATOM 1097 NZ LYS A 100 -13.649 -5.130 -1.981 1.00 0.00 N ATOM 0 H LYS A 100 -10.192 -6.049 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.556 -8.488 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.444 -8.238 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.662 -6.695 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.907 -5.576 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -13.659 -7.123 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.688 -7.240 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.533 -5.969 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.309 -4.293 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.555 -5.524 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.354 -4.408 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.927 -6.043 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.719 -4.850 -1.608 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.536 -5.957 -8.407 1.00 0.00 N ATOM 1112 CA TYR A 101 -14.833 -5.496 -8.906 1.00 0.00 C ATOM 1113 C TYR A 101 -15.257 -6.310 -10.128 1.00 0.00 C ATOM 1114 O TYR A 101 -16.402 -6.752 -10.193 1.00 0.00 O ATOM 1115 CB TYR A 101 -14.755 -3.986 -9.219 1.00 0.00 C ATOM 1116 CG TYR A 101 -15.768 -3.479 -10.227 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.052 -3.084 -9.808 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -15.428 -3.442 -11.596 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -18.013 -2.697 -10.760 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -16.389 -3.069 -12.552 1.00 0.00 C ATOM 1121 CZ TYR A 101 -17.689 -2.714 -12.136 1.00 0.00 C ATOM 1122 OH TYR A 101 -18.634 -2.399 -13.063 1.00 0.00 O ATOM 0 H TYR A 101 -12.860 -5.197 -8.338 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.595 -5.647 -8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -14.884 -3.432 -8.289 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.755 -3.760 -9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.300 -3.078 -8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.428 -3.701 -11.910 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -18.997 -2.387 -10.440 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -16.133 -3.054 -13.601 1.00 0.00 H new ATOM 0 HH TYR A 101 -18.245 -2.459 -13.960 1.00 0.00 H new ATOM 1132 N LEU A 102 -14.323 -6.545 -11.059 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.586 -7.349 -12.247 1.00 0.00 C ATOM 1134 C LEU A 102 -14.325 -8.844 -11.999 1.00 0.00 C ATOM 1135 O LEU A 102 -14.993 -9.659 -12.617 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.844 -6.726 -13.450 1.00 0.00 C ATOM 1137 CG LEU A 102 -12.459 -7.313 -13.811 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -12.602 -8.513 -14.758 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -11.537 -6.267 -14.458 1.00 0.00 C ATOM 0 H LEU A 102 -13.371 -6.183 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 102 -15.646 -7.327 -12.499 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.487 -6.815 -14.326 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.718 -5.661 -13.254 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.006 -7.637 -12.874 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.614 -8.908 -14.997 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.196 -9.289 -14.275 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.097 -8.195 -15.676 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.576 -6.725 -14.694 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.996 -5.894 -15.374 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.384 -5.439 -13.766 1.00 0.00 H new ATOM 1151 N LEU A 103 -13.420 -9.205 -11.074 1.00 0.00 N ATOM 1152 CA LEU A 103 -12.966 -10.571 -10.760 1.00 0.00 C ATOM 1153 C LEU A 103 -14.089 -11.449 -10.191 1.00 0.00 C ATOM 1154 O LEU A 103 -14.421 -12.492 -10.752 1.00 0.00 O ATOM 1155 CB LEU A 103 -11.780 -10.471 -9.778 1.00 0.00 C ATOM 1156 CG LEU A 103 -10.659 -11.509 -9.942 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -9.347 -10.866 -9.478 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -10.932 -12.780 -9.137 1.00 0.00 C ATOM 0 H LEU A 103 -12.957 -8.509 -10.490 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.651 -11.059 -11.682 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.341 -9.478 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.171 -10.549 -8.763 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.600 -11.804 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.533 -11.583 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.138 -9.987 -10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.436 -10.571 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.114 -13.486 -9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.012 -12.530 -8.079 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.865 -13.231 -9.475 1.00 0.00 H new ATOM 1170 N SER A 104 -14.701 -11.003 -9.089 1.00 0.00 N ATOM 1171 CA SER A 104 -15.852 -11.669 -8.456 1.00 0.00 C ATOM 1172 C SER A 104 -17.087 -11.725 -9.366 1.00 0.00 C ATOM 1173 O SER A 104 -17.923 -12.617 -9.232 1.00 0.00 O ATOM 1174 CB SER A 104 -16.214 -10.960 -7.144 1.00 0.00 C ATOM 1175 OG SER A 104 -16.338 -9.553 -7.324 1.00 0.00 O ATOM 0 H SER A 104 -14.409 -10.156 -8.602 1.00 0.00 H new ATOM 0 HA SER A 104 -15.549 -12.697 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.151 -11.362 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.448 -11.165 -6.396 1.00 0.00 H new ATOM 0 HG SER A 104 -15.449 -9.158 -7.441 1.00 0.00 H new ATOM 1181 N ASN A 105 -17.164 -10.803 -10.331 1.00 0.00 N ATOM 1182 CA ASN A 105 -18.195 -10.729 -11.362 1.00 0.00 C ATOM 1183 C ASN A 105 -17.727 -11.326 -12.713 1.00 0.00 C ATOM 1184 O ASN A 105 -18.408 -11.147 -13.723 1.00 0.00 O ATOM 1185 CB ASN A 105 -18.674 -9.264 -11.450 1.00 0.00 C ATOM 1186 CG ASN A 105 -19.703 -8.933 -10.374 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -20.898 -8.920 -10.626 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -19.296 -8.665 -9.148 1.00 0.00 N ATOM 0 H ASN A 105 -16.476 -10.055 -10.415 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.046 -11.354 -11.091 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.818 -8.596 -11.351 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.107 -9.083 -12.434 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.977 -8.449 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.300 -8.673 -8.928 1.00 0.00 H new ATOM 1195 N TYR A 106 -16.589 -12.043 -12.753 1.00 0.00 N ATOM 1196 CA TYR A 106 -16.011 -12.568 -13.995 1.00 0.00 C ATOM 1197 C TYR A 106 -16.603 -13.930 -14.368 1.00 0.00 C ATOM 1198 O TYR A 106 -17.174 -14.085 -15.448 1.00 0.00 O ATOM 1199 CB TYR A 106 -14.473 -12.635 -13.898 1.00 0.00 C ATOM 1200 CG TYR A 106 -13.761 -12.453 -15.224 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -13.991 -11.283 -15.974 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -12.836 -13.411 -15.682 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -13.325 -11.077 -17.195 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -12.164 -13.209 -16.904 1.00 0.00 C ATOM 1205 CZ TYR A 106 -12.415 -12.048 -17.667 1.00 0.00 C ATOM 1206 OH TYR A 106 -11.779 -11.864 -18.855 1.00 0.00 O ATOM 0 H TYR A 106 -16.046 -12.273 -11.921 1.00 0.00 H new ATOM 0 HA TYR A 106 -16.271 -11.876 -14.796 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -14.130 -11.867 -13.205 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -14.188 -13.598 -13.474 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -14.684 -10.539 -15.609 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -12.642 -14.299 -15.098 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.509 -10.181 -17.769 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.456 -13.944 -17.258 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.187 -12.625 -19.031 1.00 0.00 H new ATOM 1216 N SER A 107 -16.479 -14.914 -13.466 1.00 0.00 N ATOM 1217 CA SER A 107 -17.030 -16.267 -13.617 1.00 0.00 C ATOM 1218 C SER A 107 -18.549 -16.260 -13.378 1.00 0.00 C ATOM 1219 O SER A 107 -19.053 -16.774 -12.380 1.00 0.00 O ATOM 1220 CB SER A 107 -16.292 -17.239 -12.684 1.00 0.00 C ATOM 1221 OG SER A 107 -16.708 -18.577 -12.885 1.00 0.00 O ATOM 0 H SER A 107 -15.978 -14.786 -12.587 1.00 0.00 H new ATOM 0 HA SER A 107 -16.874 -16.613 -14.639 1.00 0.00 H new ATOM 0 HB2 SER A 107 -15.218 -17.162 -12.855 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.471 -16.954 -11.647 1.00 0.00 H new ATOM 0 HG SER A 107 -16.217 -19.167 -12.276 1.00 0.00 H new ATOM 1227 N SER A 108 -19.288 -15.627 -14.295 1.00 0.00 N ATOM 1228 CA SER A 108 -20.748 -15.598 -14.279 1.00 0.00 C ATOM 1229 C SER A 108 -21.307 -15.226 -15.653 1.00 0.00 C ATOM 1230 O SER A 108 -20.810 -14.304 -16.305 1.00 0.00 O ATOM 1231 CB SER A 108 -21.240 -14.596 -13.231 1.00 0.00 C ATOM 1232 OG SER A 108 -22.596 -14.876 -12.952 1.00 0.00 O ATOM 0 H SER A 108 -18.881 -15.115 -15.078 1.00 0.00 H new ATOM 0 HA SER A 108 -21.104 -16.596 -14.023 1.00 0.00 H new ATOM 0 HB2 SER A 108 -20.642 -14.672 -12.323 1.00 0.00 H new ATOM 0 HB3 SER A 108 -21.131 -13.576 -13.600 1.00 0.00 H new ATOM 0 HG SER A 108 -22.929 -14.245 -12.280 1.00 0.00 H new ATOM 1238 N VAL A 109 -22.353 -15.941 -16.082 1.00 0.00 N ATOM 1239 CA VAL A 109 -23.074 -15.715 -17.340 1.00 0.00 C ATOM 1240 C VAL A 109 -24.577 -15.820 -17.071 1.00 0.00 C ATOM 1241 O VAL A 109 -25.135 -16.916 -17.105 1.00 0.00 O ATOM 1242 CB VAL A 109 -22.611 -16.675 -18.462 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -23.342 -16.345 -19.775 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -21.093 -16.596 -18.695 1.00 0.00 C ATOM 0 H VAL A 109 -22.734 -16.720 -15.545 1.00 0.00 H new ATOM 0 HA VAL A 109 -22.846 -14.714 -17.706 1.00 0.00 H new ATOM 0 HB VAL A 109 -22.854 -17.688 -18.142 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -23.009 -17.026 -20.558 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -24.417 -16.456 -19.631 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -23.119 -15.319 -20.068 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -20.811 -17.286 -19.490 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -20.821 -15.580 -18.982 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -20.570 -16.866 -17.778 1.00 0.00 H new ATOM 1254 N THR A 110 -25.200 -14.681 -16.745 1.00 0.00 N ATOM 1255 CA THR A 110 -26.651 -14.533 -16.547 1.00 0.00 C ATOM 1256 C THR A 110 -27.414 -14.713 -17.862 1.00 0.00 C ATOM 1257 O THR A 110 -27.228 -13.844 -18.741 1.00 0.00 O ATOM 1258 CB THR A 110 -26.972 -13.170 -15.910 1.00 0.00 C ATOM 1259 OG1 THR A 110 -26.309 -13.061 -14.668 1.00 0.00 O ATOM 1260 CG2 THR A 110 -28.470 -12.996 -15.646 1.00 0.00 C ATOM 0 H THR A 110 -24.693 -13.807 -16.607 1.00 0.00 H new ATOM 0 HA THR A 110 -26.979 -15.318 -15.866 1.00 0.00 H new ATOM 0 HB THR A 110 -26.641 -12.405 -16.612 1.00 0.00 H new ATOM 0 HG1 THR A 110 -26.513 -12.192 -14.264 1.00 0.00 H new ATOM 0 HG21 THR A 110 -28.649 -12.020 -15.196 1.00 0.00 H new ATOM 0 HG22 THR A 110 -29.016 -13.068 -16.587 1.00 0.00 H new ATOM 0 HG23 THR A 110 -28.813 -13.777 -14.967 1.00 0.00 H new TER 1268 THR A 110