USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 817 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 33 TYR OH : rot 30:sc= 0.515 USER MOD Set 1.2: A 112 TYR OH : rot 20:sc= 0.575 USER MOD Set 2.1: A 83 GLN : amide:sc= 0.145 K(o=0.31,f=-0.5) USER MOD Set 2.2: A 85 ASN : amide:sc= 0.161 K(o=0.31,f=-0.5) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.26 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0113 F(o=-0.74,f=-0.011) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 29:sc= 0.0189 USER MOD Single : A 23 CYS SG : rot 113:sc= -2.74! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -128:sc= -1.51 (180deg=-2.75!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.137 F(o=-0.98!,f=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.755 K(o=-0.75,f=-12!) USER MOD Single : A 55 SER OG : rot -7:sc= 0.139 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 166:sc= 0.385 USER MOD Single : A 61 TYR OH : rot 70:sc= -0.686 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0865) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.17 K(o=0.17,f=-0.98) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 79 THR OG1 : rot 62:sc= 0.409 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -122:sc= -1.48 (180deg=-8.96!) USER MOD Single : A 86 SER OG : rot -52:sc= 0.0543 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 87:sc= 0.654 USER MOD Single : A 95 TYR OH : rot 104:sc= 1.77 USER MOD Single : A 96 ASN : amide:sc= -1.35 K(o=-1.3,f=-8.7!) USER MOD Single : A 97 CYS SG : rot 100:sc= -0.774 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.142 F(o=-2.3,f=-0.14) USER MOD Single : A 117 THR OG1 : rot 144:sc= -1.73! USER MOD Single : A 118 GLN : amide:sc= 0.298 X(o=0.3,f=-0.00063) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 45:sc= 0.0529 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 2.502 -3.149 -7.479 1.00 0.00 N ATOM 38 CA LEU A 3 3.271 -3.671 -8.614 1.00 0.00 C ATOM 39 C LEU A 3 3.001 -2.790 -9.844 1.00 0.00 C ATOM 40 O LEU A 3 1.884 -2.783 -10.377 1.00 0.00 O ATOM 41 CB LEU A 3 2.882 -5.144 -8.894 1.00 0.00 C ATOM 42 CG LEU A 3 3.633 -5.843 -10.066 1.00 0.00 C ATOM 43 CD1 LEU A 3 5.152 -5.950 -9.797 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.013 -7.222 -10.370 1.00 0.00 C ATOM 0 HA LEU A 3 4.336 -3.647 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.052 -5.722 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.813 -5.182 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 3 3.514 -5.218 -10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.637 -6.444 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.571 -4.951 -9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.321 -6.531 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.554 -7.691 -11.192 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.079 -7.854 -9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.967 -7.097 -10.649 1.00 0.00 H new ATOM 56 N GLN A 4 4.024 -2.031 -10.254 1.00 0.00 N ATOM 57 CA GLN A 4 3.995 -1.218 -11.468 1.00 0.00 C ATOM 58 C GLN A 4 4.381 -2.097 -12.667 1.00 0.00 C ATOM 59 O GLN A 4 5.545 -2.493 -12.793 1.00 0.00 O ATOM 60 CB GLN A 4 4.971 -0.019 -11.333 1.00 0.00 C ATOM 61 CG GLN A 4 4.975 0.935 -12.550 1.00 0.00 C ATOM 62 CD GLN A 4 6.027 2.044 -12.456 1.00 0.00 C ATOM 63 OE1 GLN A 4 5.768 3.128 -11.937 1.00 0.00 O ATOM 64 NE2 GLN A 4 7.218 1.782 -12.964 1.00 0.00 N ATOM 0 H GLN A 4 4.905 -1.966 -9.743 1.00 0.00 H new ATOM 0 HA GLN A 4 2.991 -0.821 -11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.709 0.550 -10.441 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.980 -0.402 -11.182 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.151 0.354 -13.456 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.989 1.389 -12.649 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.403 0.873 -13.388 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.953 2.489 -12.932 1.00 0.00 H new ATOM 73 N LEU A 5 3.381 -2.445 -13.487 1.00 0.00 N ATOM 74 CA LEU A 5 3.566 -3.171 -14.753 1.00 0.00 C ATOM 75 C LEU A 5 3.576 -2.155 -15.913 1.00 0.00 C ATOM 76 O LEU A 5 2.638 -1.372 -16.076 1.00 0.00 O ATOM 77 CB LEU A 5 2.442 -4.234 -14.908 1.00 0.00 C ATOM 78 CG LEU A 5 2.478 -5.393 -13.858 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.214 -6.275 -13.928 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.759 -6.241 -14.020 1.00 0.00 C ATOM 0 H LEU A 5 2.405 -2.227 -13.287 1.00 0.00 H new ATOM 0 HA LEU A 5 4.518 -3.701 -14.763 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.477 -3.732 -14.840 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.507 -4.666 -15.906 1.00 0.00 H new ATOM 0 HG LEU A 5 2.494 -4.936 -12.869 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.281 -7.067 -13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.333 -5.664 -13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.134 -6.718 -14.921 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.762 -7.041 -13.279 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.785 -6.673 -15.020 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.635 -5.609 -13.875 1.00 0.00 H new ATOM 92 N VAL A 6 4.677 -2.128 -16.678 1.00 0.00 N ATOM 93 CA VAL A 6 4.880 -1.169 -17.781 1.00 0.00 C ATOM 94 C VAL A 6 4.924 -1.932 -19.110 1.00 0.00 C ATOM 95 O VAL A 6 5.953 -2.515 -19.467 1.00 0.00 O ATOM 96 CB VAL A 6 6.214 -0.342 -17.572 1.00 0.00 C ATOM 97 CG1 VAL A 6 6.439 0.698 -18.710 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.244 0.334 -16.172 1.00 0.00 C ATOM 0 H VAL A 6 5.457 -2.773 -16.551 1.00 0.00 H new ATOM 0 HA VAL A 6 4.051 -0.462 -17.795 1.00 0.00 H new ATOM 0 HB VAL A 6 7.042 -1.049 -17.618 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.365 1.243 -18.527 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.505 0.181 -19.667 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.604 1.399 -18.733 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.172 0.894 -16.058 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.396 1.013 -16.077 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.185 -0.431 -15.397 1.00 0.00 H new ATOM 108 N GLU A 7 3.803 -1.900 -19.841 1.00 0.00 N ATOM 109 CA GLU A 7 3.647 -2.608 -21.118 1.00 0.00 C ATOM 110 C GLU A 7 4.421 -1.865 -22.223 1.00 0.00 C ATOM 111 O GLU A 7 4.457 -0.624 -22.252 1.00 0.00 O ATOM 112 CB GLU A 7 2.143 -2.762 -21.497 1.00 0.00 C ATOM 113 CG GLU A 7 1.300 -3.721 -20.602 1.00 0.00 C ATOM 114 CD GLU A 7 1.090 -3.256 -19.145 1.00 0.00 C ATOM 115 OE1 GLU A 7 0.957 -4.109 -18.249 1.00 0.00 O ATOM 116 OE2 GLU A 7 1.056 -2.034 -18.897 1.00 0.00 O ATOM 0 H GLU A 7 2.972 -1.378 -19.561 1.00 0.00 H new ATOM 0 HA GLU A 7 4.060 -3.611 -21.013 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.681 -1.775 -21.471 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.084 -3.115 -22.527 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.323 -3.858 -21.066 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.785 -4.697 -20.587 1.00 0.00 H new ATOM 123 N SER A 8 5.031 -2.646 -23.124 1.00 0.00 N ATOM 124 CA SER A 8 5.941 -2.157 -24.168 1.00 0.00 C ATOM 125 C SER A 8 6.002 -3.167 -25.330 1.00 0.00 C ATOM 126 O SER A 8 5.540 -4.307 -25.201 1.00 0.00 O ATOM 127 CB SER A 8 7.346 -1.916 -23.558 1.00 0.00 C ATOM 128 OG SER A 8 7.782 -3.042 -22.812 1.00 0.00 O ATOM 0 H SER A 8 4.903 -3.658 -23.148 1.00 0.00 H new ATOM 0 HA SER A 8 5.571 -1.212 -24.565 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.060 -1.706 -24.354 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.320 -1.037 -22.913 1.00 0.00 H new ATOM 0 HG SER A 8 8.671 -2.864 -22.440 1.00 0.00 H new ATOM 134 N GLY A 9 6.560 -2.722 -26.472 1.00 0.00 N ATOM 135 CA GLY A 9 6.699 -3.569 -27.671 1.00 0.00 C ATOM 136 C GLY A 9 5.403 -3.716 -28.470 1.00 0.00 C ATOM 137 O GLY A 9 5.328 -4.547 -29.385 1.00 0.00 O ATOM 0 H GLY A 9 6.923 -1.776 -26.589 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.468 -3.146 -28.317 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.044 -4.558 -27.369 1.00 0.00 H new ATOM 141 N GLY A 10 4.391 -2.892 -28.131 1.00 0.00 N ATOM 142 CA GLY A 10 3.078 -2.946 -28.781 1.00 0.00 C ATOM 143 C GLY A 10 3.051 -2.138 -30.069 1.00 0.00 C ATOM 144 O GLY A 10 3.619 -1.039 -30.121 1.00 0.00 O ATOM 0 H GLY A 10 4.465 -2.179 -27.405 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.822 -3.983 -28.997 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.318 -2.566 -28.098 1.00 0.00 H new ATOM 148 N GLY A 11 2.395 -2.679 -31.106 1.00 0.00 N ATOM 149 CA GLY A 11 2.356 -2.053 -32.427 1.00 0.00 C ATOM 150 C GLY A 11 1.447 -2.802 -33.386 1.00 0.00 C ATOM 151 O GLY A 11 0.617 -3.622 -32.955 1.00 0.00 O ATOM 0 H GLY A 11 1.881 -3.558 -31.049 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.011 -1.024 -32.330 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.364 -2.014 -32.839 1.00 0.00 H new ATOM 155 N LEU A 12 1.597 -2.516 -34.692 1.00 0.00 N ATOM 156 CA LEU A 12 0.798 -3.143 -35.764 1.00 0.00 C ATOM 157 C LEU A 12 1.629 -4.163 -36.570 1.00 0.00 C ATOM 158 O LEU A 12 2.836 -3.983 -36.780 1.00 0.00 O ATOM 159 CB LEU A 12 0.142 -2.041 -36.660 1.00 0.00 C ATOM 160 CG LEU A 12 1.084 -0.929 -37.261 1.00 0.00 C ATOM 161 CD1 LEU A 12 1.837 -1.393 -38.532 1.00 0.00 C ATOM 162 CD2 LEU A 12 0.314 0.393 -37.523 1.00 0.00 C ATOM 0 H LEU A 12 2.279 -1.840 -35.036 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.011 -3.716 -35.312 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.361 -2.538 -37.489 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.629 -1.545 -36.071 1.00 0.00 H new ATOM 0 HG LEU A 12 1.842 -0.738 -36.502 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.468 -0.583 -38.897 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.457 -2.257 -38.292 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.116 -1.666 -39.303 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.996 1.135 -37.937 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.495 0.209 -38.230 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.101 0.764 -36.586 1.00 0.00 H new ATOM 174 N VAL A 13 0.960 -5.250 -36.977 1.00 0.00 N ATOM 175 CA VAL A 13 1.519 -6.296 -37.851 1.00 0.00 C ATOM 176 C VAL A 13 0.363 -6.929 -38.646 1.00 0.00 C ATOM 177 O VAL A 13 -0.782 -6.859 -38.216 1.00 0.00 O ATOM 178 CB VAL A 13 2.327 -7.376 -37.020 1.00 0.00 C ATOM 179 CG1 VAL A 13 1.411 -8.157 -36.050 1.00 0.00 C ATOM 180 CG2 VAL A 13 3.132 -8.330 -37.945 1.00 0.00 C ATOM 0 H VAL A 13 -0.005 -5.433 -36.703 1.00 0.00 H new ATOM 0 HA VAL A 13 2.235 -5.854 -38.544 1.00 0.00 H new ATOM 0 HB VAL A 13 3.050 -6.834 -36.410 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.003 -8.888 -35.499 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.947 -7.463 -35.349 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.636 -8.672 -36.617 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.672 -9.056 -37.337 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.447 -8.853 -38.612 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.842 -7.751 -38.535 1.00 0.00 H new ATOM 190 N GLN A 14 0.658 -7.522 -39.809 1.00 0.00 N ATOM 191 CA GLN A 14 -0.374 -8.118 -40.688 1.00 0.00 C ATOM 192 C GLN A 14 -0.922 -9.441 -40.095 1.00 0.00 C ATOM 193 O GLN A 14 -0.340 -9.996 -39.148 1.00 0.00 O ATOM 194 CB GLN A 14 0.207 -8.347 -42.109 1.00 0.00 C ATOM 195 CG GLN A 14 1.329 -9.409 -42.190 1.00 0.00 C ATOM 196 CD GLN A 14 2.043 -9.449 -43.542 1.00 0.00 C ATOM 197 OE1 GLN A 14 2.306 -8.283 -44.120 1.00 0.00 O flip ATOM 198 NE2 GLN A 14 2.420 -10.512 -44.024 1.00 0.00 N flip ATOM 0 H GLN A 14 1.608 -7.606 -40.171 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.209 -7.421 -40.759 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.604 -8.645 -42.774 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.595 -7.400 -42.484 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.062 -9.210 -41.408 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.903 -10.391 -41.985 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.201 -11.391 -43.555 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.952 -10.517 -44.894 1.00 0.00 H new ATOM 207 N ALA A 15 -2.043 -9.933 -40.668 1.00 0.00 N ATOM 208 CA ALA A 15 -2.694 -11.188 -40.248 1.00 0.00 C ATOM 209 C ALA A 15 -1.824 -12.391 -40.652 1.00 0.00 C ATOM 210 O ALA A 15 -1.510 -12.573 -41.834 1.00 0.00 O ATOM 211 CB ALA A 15 -4.099 -11.284 -40.859 1.00 0.00 C ATOM 0 H ALA A 15 -2.522 -9.466 -41.438 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.799 -11.195 -39.163 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.571 -12.214 -40.542 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.700 -10.439 -40.523 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.025 -11.266 -41.946 1.00 0.00 H new ATOM 217 N GLY A 16 -1.426 -13.183 -39.644 1.00 0.00 N ATOM 218 CA GLY A 16 -0.454 -14.270 -39.798 1.00 0.00 C ATOM 219 C GLY A 16 0.948 -13.848 -39.355 1.00 0.00 C ATOM 220 O GLY A 16 1.892 -14.650 -39.413 1.00 0.00 O ATOM 0 H GLY A 16 -1.775 -13.083 -38.691 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.776 -15.131 -39.212 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.425 -14.587 -40.841 1.00 0.00 H new ATOM 224 N GLY A 17 1.064 -12.587 -38.885 1.00 0.00 N ATOM 225 CA GLY A 17 2.327 -12.026 -38.412 1.00 0.00 C ATOM 226 C GLY A 17 2.616 -12.372 -36.956 1.00 0.00 C ATOM 227 O GLY A 17 1.900 -13.168 -36.338 1.00 0.00 O ATOM 0 H GLY A 17 0.279 -11.938 -38.827 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.140 -12.395 -39.037 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.304 -10.942 -38.526 1.00 0.00 H new ATOM 231 N SER A 18 3.675 -11.769 -36.411 1.00 0.00 N ATOM 232 CA SER A 18 4.103 -11.969 -35.020 1.00 0.00 C ATOM 233 C SER A 18 4.442 -10.612 -34.383 1.00 0.00 C ATOM 234 O SER A 18 4.981 -9.725 -35.055 1.00 0.00 O ATOM 235 CB SER A 18 5.320 -12.927 -34.968 1.00 0.00 C ATOM 236 OG SER A 18 6.386 -12.483 -35.802 1.00 0.00 O ATOM 0 H SER A 18 4.268 -11.120 -36.928 1.00 0.00 H new ATOM 0 HA SER A 18 3.291 -12.425 -34.453 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.674 -13.008 -33.940 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.009 -13.925 -35.278 1.00 0.00 H new ATOM 0 HG SER A 18 7.134 -13.113 -35.740 1.00 0.00 H new ATOM 242 N LEU A 19 4.125 -10.469 -33.091 1.00 0.00 N ATOM 243 CA LEU A 19 4.393 -9.261 -32.311 1.00 0.00 C ATOM 244 C LEU A 19 4.839 -9.677 -30.900 1.00 0.00 C ATOM 245 O LEU A 19 4.138 -10.434 -30.217 1.00 0.00 O ATOM 246 CB LEU A 19 3.131 -8.362 -32.248 1.00 0.00 C ATOM 247 CG LEU A 19 3.324 -6.957 -31.597 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.278 -6.066 -32.432 1.00 0.00 C ATOM 249 CD2 LEU A 19 1.970 -6.267 -31.364 1.00 0.00 C ATOM 0 H LEU A 19 3.667 -11.204 -32.551 1.00 0.00 H new ATOM 0 HA LEU A 19 5.185 -8.682 -32.787 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.758 -8.222 -33.263 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.357 -8.894 -31.694 1.00 0.00 H new ATOM 0 HG LEU A 19 3.794 -7.106 -30.625 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.388 -5.096 -31.947 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.253 -6.547 -32.506 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.865 -5.927 -33.431 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.133 -5.290 -30.909 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.456 -6.143 -32.317 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.359 -6.879 -30.700 1.00 0.00 H new ATOM 261 N ARG A 20 6.021 -9.196 -30.500 1.00 0.00 N ATOM 262 CA ARG A 20 6.621 -9.471 -29.188 1.00 0.00 C ATOM 263 C ARG A 20 6.279 -8.335 -28.213 1.00 0.00 C ATOM 264 O ARG A 20 6.595 -7.170 -28.470 1.00 0.00 O ATOM 265 CB ARG A 20 8.160 -9.619 -29.334 1.00 0.00 C ATOM 266 CG ARG A 20 8.924 -9.894 -28.011 1.00 0.00 C ATOM 267 CD ARG A 20 10.446 -9.889 -28.216 1.00 0.00 C ATOM 268 NE ARG A 20 11.200 -10.198 -26.984 1.00 0.00 N ATOM 269 CZ ARG A 20 12.440 -9.764 -26.722 1.00 0.00 C ATOM 270 NH1 ARG A 20 13.029 -8.867 -27.504 1.00 0.00 N ATOM 271 NH2 ARG A 20 13.073 -10.194 -25.650 1.00 0.00 N ATOM 0 H ARG A 20 6.598 -8.595 -31.088 1.00 0.00 H new ATOM 0 HA ARG A 20 6.218 -10.403 -28.793 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.367 -10.432 -30.030 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.556 -8.707 -29.781 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.655 -9.139 -27.273 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.615 -10.858 -27.607 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.705 -10.617 -28.985 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.753 -8.911 -28.587 1.00 0.00 H new ATOM 0 HE ARG A 20 10.744 -10.783 -26.283 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.537 -8.498 -28.318 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.974 -8.547 -27.291 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.619 -10.856 -25.021 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.017 -9.865 -25.449 1.00 0.00 H new ATOM 285 N LEU A 21 5.602 -8.681 -27.117 1.00 0.00 N ATOM 286 CA LEU A 21 5.281 -7.744 -26.030 1.00 0.00 C ATOM 287 C LEU A 21 6.286 -7.926 -24.886 1.00 0.00 C ATOM 288 O LEU A 21 6.934 -8.974 -24.769 1.00 0.00 O ATOM 289 CB LEU A 21 3.822 -7.943 -25.513 1.00 0.00 C ATOM 290 CG LEU A 21 2.664 -7.579 -26.501 1.00 0.00 C ATOM 291 CD1 LEU A 21 2.806 -6.146 -27.035 1.00 0.00 C ATOM 292 CD2 LEU A 21 2.532 -8.603 -27.648 1.00 0.00 C ATOM 0 H LEU A 21 5.256 -9.627 -26.954 1.00 0.00 H new ATOM 0 HA LEU A 21 5.351 -6.728 -26.419 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.705 -8.987 -25.223 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.698 -7.345 -24.610 1.00 0.00 H new ATOM 0 HG LEU A 21 1.737 -7.625 -25.930 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.984 -5.929 -27.718 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.781 -5.443 -26.202 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.754 -6.047 -27.565 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.716 -8.308 -28.307 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.462 -8.636 -28.215 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.325 -9.589 -27.233 1.00 0.00 H new ATOM 304 N SER A 22 6.413 -6.882 -24.077 1.00 0.00 N ATOM 305 CA SER A 22 7.245 -6.864 -22.874 1.00 0.00 C ATOM 306 C SER A 22 6.510 -6.073 -21.780 1.00 0.00 C ATOM 307 O SER A 22 5.650 -5.239 -22.090 1.00 0.00 O ATOM 308 CB SER A 22 8.627 -6.240 -23.191 1.00 0.00 C ATOM 309 OG SER A 22 9.474 -6.239 -22.051 1.00 0.00 O ATOM 0 H SER A 22 5.929 -6.000 -24.241 1.00 0.00 H new ATOM 0 HA SER A 22 7.419 -7.880 -22.520 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.102 -6.798 -23.998 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.493 -5.218 -23.546 1.00 0.00 H new ATOM 0 HG SER A 22 9.235 -6.987 -21.465 1.00 0.00 H new ATOM 315 N CYS A 23 6.839 -6.338 -20.506 1.00 0.00 N ATOM 316 CA CYS A 23 6.217 -5.649 -19.362 1.00 0.00 C ATOM 317 C CYS A 23 7.198 -5.568 -18.185 1.00 0.00 C ATOM 318 O CYS A 23 7.613 -6.592 -17.651 1.00 0.00 O ATOM 319 CB CYS A 23 4.910 -6.353 -18.938 1.00 0.00 C ATOM 320 SG CYS A 23 4.054 -5.556 -17.566 1.00 0.00 S ATOM 0 H CYS A 23 7.539 -7.031 -20.240 1.00 0.00 H new ATOM 0 HA CYS A 23 5.966 -4.634 -19.671 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.238 -6.395 -19.795 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.138 -7.382 -18.661 1.00 0.00 H new ATOM 0 HG CYS A 23 2.924 -5.068 -17.984 1.00 0.00 H new ATOM 326 N ALA A 24 7.562 -4.342 -17.784 1.00 0.00 N ATOM 327 CA ALA A 24 8.506 -4.100 -16.683 1.00 0.00 C ATOM 328 C ALA A 24 7.752 -4.120 -15.340 1.00 0.00 C ATOM 329 O ALA A 24 6.859 -3.306 -15.126 1.00 0.00 O ATOM 330 CB ALA A 24 9.230 -2.760 -16.904 1.00 0.00 C ATOM 0 H ALA A 24 7.209 -3.488 -18.215 1.00 0.00 H new ATOM 0 HA ALA A 24 9.258 -4.889 -16.660 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.929 -2.585 -16.086 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.776 -2.793 -17.847 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.499 -1.952 -16.936 1.00 0.00 H new ATOM 336 N ALA A 25 8.128 -5.050 -14.451 1.00 0.00 N ATOM 337 CA ALA A 25 7.455 -5.284 -13.159 1.00 0.00 C ATOM 338 C ALA A 25 8.321 -4.722 -12.019 1.00 0.00 C ATOM 339 O ALA A 25 9.494 -5.092 -11.890 1.00 0.00 O ATOM 340 CB ALA A 25 7.219 -6.794 -12.977 1.00 0.00 C ATOM 0 H ALA A 25 8.921 -5.672 -14.609 1.00 0.00 H new ATOM 0 HA ALA A 25 6.491 -4.775 -13.141 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.722 -6.972 -12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.592 -7.165 -13.788 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.176 -7.316 -12.990 1.00 0.00 H new ATOM 346 N SER A 26 7.741 -3.833 -11.193 1.00 0.00 N ATOM 347 CA SER A 26 8.487 -3.090 -10.155 1.00 0.00 C ATOM 348 C SER A 26 7.620 -2.868 -8.899 1.00 0.00 C ATOM 349 O SER A 26 6.404 -3.014 -8.948 1.00 0.00 O ATOM 350 CB SER A 26 8.957 -1.734 -10.749 1.00 0.00 C ATOM 351 OG SER A 26 9.775 -1.009 -9.847 1.00 0.00 O ATOM 0 H SER A 26 6.747 -3.608 -11.224 1.00 0.00 H new ATOM 0 HA SER A 26 9.355 -3.674 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.508 -1.915 -11.672 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.086 -1.133 -11.011 1.00 0.00 H new ATOM 0 HG SER A 26 10.050 -0.164 -10.261 1.00 0.00 H new ATOM 357 N GLY A 27 8.273 -2.519 -7.774 1.00 0.00 N ATOM 358 CA GLY A 27 7.582 -2.228 -6.509 1.00 0.00 C ATOM 359 C GLY A 27 7.291 -3.490 -5.703 1.00 0.00 C ATOM 360 O GLY A 27 8.129 -3.932 -4.902 1.00 0.00 O ATOM 0 H GLY A 27 9.288 -2.432 -7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.193 -1.551 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.646 -1.711 -6.720 1.00 0.00 H new ATOM 364 N ARG A 28 6.108 -4.087 -5.937 1.00 0.00 N ATOM 365 CA ARG A 28 5.656 -5.298 -5.220 1.00 0.00 C ATOM 366 C ARG A 28 6.318 -6.563 -5.810 1.00 0.00 C ATOM 367 O ARG A 28 6.709 -6.579 -6.984 1.00 0.00 O ATOM 368 CB ARG A 28 4.109 -5.413 -5.296 1.00 0.00 C ATOM 369 CG ARG A 28 3.465 -6.502 -4.401 1.00 0.00 C ATOM 370 CD ARG A 28 3.556 -6.184 -2.898 1.00 0.00 C ATOM 371 NE ARG A 28 2.811 -7.158 -2.081 1.00 0.00 N ATOM 372 CZ ARG A 28 2.799 -7.196 -0.741 1.00 0.00 C ATOM 373 NH1 ARG A 28 3.533 -6.359 -0.023 1.00 0.00 N ATOM 374 NH2 ARG A 28 2.047 -8.082 -0.122 1.00 0.00 N ATOM 0 H ARG A 28 5.438 -3.746 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 28 5.955 -5.214 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.679 -4.448 -5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.829 -5.609 -6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.417 -6.618 -4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.953 -7.457 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.602 -6.179 -2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.165 -5.183 -2.715 1.00 0.00 H new ATOM 0 HE ARG A 28 2.260 -7.860 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.122 -5.669 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.509 -6.405 0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.478 -8.734 -0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.033 -8.116 0.897 1.00 0.00 H new ATOM 388 N THR A 29 6.435 -7.617 -4.979 1.00 0.00 N ATOM 389 CA THR A 29 7.012 -8.900 -5.388 1.00 0.00 C ATOM 390 C THR A 29 6.008 -9.677 -6.267 1.00 0.00 C ATOM 391 O THR A 29 5.115 -10.361 -5.761 1.00 0.00 O ATOM 392 CB THR A 29 7.432 -9.767 -4.151 1.00 0.00 C ATOM 393 OG1 THR A 29 8.225 -8.988 -3.237 1.00 0.00 O ATOM 394 CG2 THR A 29 8.245 -11.006 -4.573 1.00 0.00 C ATOM 0 H THR A 29 6.130 -7.597 -4.006 1.00 0.00 H new ATOM 0 HA THR A 29 7.912 -8.691 -5.966 1.00 0.00 H new ATOM 0 HB THR A 29 6.513 -10.096 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.478 -9.542 -2.469 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.517 -11.581 -3.688 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.644 -11.626 -5.238 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.149 -10.688 -5.092 1.00 0.00 H new ATOM 402 N PHE A 30 6.145 -9.498 -7.592 1.00 0.00 N ATOM 403 CA PHE A 30 5.363 -10.235 -8.615 1.00 0.00 C ATOM 404 C PHE A 30 5.621 -11.756 -8.535 1.00 0.00 C ATOM 405 O PHE A 30 4.745 -12.563 -8.858 1.00 0.00 O ATOM 406 CB PHE A 30 5.704 -9.707 -10.043 1.00 0.00 C ATOM 407 CG PHE A 30 7.174 -9.834 -10.456 1.00 0.00 C ATOM 408 CD1 PHE A 30 7.602 -10.858 -11.307 1.00 0.00 C ATOM 409 CD2 PHE A 30 8.130 -8.935 -9.978 1.00 0.00 C ATOM 410 CE1 PHE A 30 8.929 -10.973 -11.664 1.00 0.00 C ATOM 411 CE2 PHE A 30 9.455 -9.051 -10.339 1.00 0.00 C ATOM 412 CZ PHE A 30 9.854 -10.073 -11.179 1.00 0.00 C ATOM 0 H PHE A 30 6.806 -8.833 -7.993 1.00 0.00 H new ATOM 0 HA PHE A 30 4.306 -10.062 -8.413 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.093 -10.246 -10.767 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.417 -8.657 -10.102 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.884 -11.568 -11.690 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.827 -8.137 -9.316 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.244 -11.768 -12.324 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.181 -8.344 -9.966 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.894 -10.167 -11.456 1.00 0.00 H new ATOM 422 N SER A 31 6.838 -12.121 -8.083 1.00 0.00 N ATOM 423 CA SER A 31 7.284 -13.520 -7.973 1.00 0.00 C ATOM 424 C SER A 31 6.681 -14.241 -6.737 1.00 0.00 C ATOM 425 O SER A 31 6.986 -15.410 -6.486 1.00 0.00 O ATOM 426 CB SER A 31 8.830 -13.579 -7.970 1.00 0.00 C ATOM 427 OG SER A 31 9.374 -12.768 -6.942 1.00 0.00 O ATOM 0 H SER A 31 7.542 -11.447 -7.783 1.00 0.00 H new ATOM 0 HA SER A 31 6.913 -14.059 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.157 -14.610 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.211 -13.249 -8.937 1.00 0.00 H new ATOM 0 HG SER A 31 10.352 -12.826 -6.963 1.00 0.00 H new ATOM 433 N SER A 32 5.850 -13.534 -5.949 1.00 0.00 N ATOM 434 CA SER A 32 5.048 -14.143 -4.867 1.00 0.00 C ATOM 435 C SER A 32 3.627 -14.484 -5.355 1.00 0.00 C ATOM 436 O SER A 32 2.911 -15.241 -4.692 1.00 0.00 O ATOM 437 CB SER A 32 4.987 -13.188 -3.655 1.00 0.00 C ATOM 438 OG SER A 32 6.273 -13.009 -3.080 1.00 0.00 O ATOM 0 H SER A 32 5.714 -12.527 -6.042 1.00 0.00 H new ATOM 0 HA SER A 32 5.530 -15.073 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.588 -12.223 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.303 -13.588 -2.907 1.00 0.00 H new ATOM 0 HG SER A 32 6.208 -12.399 -2.316 1.00 0.00 H new ATOM 444 N TYR A 33 3.229 -13.931 -6.519 1.00 0.00 N ATOM 445 CA TYR A 33 1.864 -14.080 -7.079 1.00 0.00 C ATOM 446 C TYR A 33 1.900 -14.837 -8.419 1.00 0.00 C ATOM 447 O TYR A 33 2.974 -15.144 -8.954 1.00 0.00 O ATOM 448 CB TYR A 33 1.221 -12.672 -7.290 1.00 0.00 C ATOM 449 CG TYR A 33 1.098 -11.843 -6.003 1.00 0.00 C ATOM 450 CD1 TYR A 33 0.077 -12.092 -5.082 1.00 0.00 C ATOM 451 CD2 TYR A 33 2.014 -10.831 -5.700 1.00 0.00 C ATOM 452 CE1 TYR A 33 -0.024 -11.364 -3.913 1.00 0.00 C ATOM 453 CE2 TYR A 33 1.913 -10.100 -4.533 1.00 0.00 C ATOM 454 CZ TYR A 33 0.897 -10.373 -3.642 1.00 0.00 C ATOM 455 OH TYR A 33 0.790 -9.643 -2.483 1.00 0.00 O ATOM 0 H TYR A 33 3.846 -13.365 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 33 1.265 -14.654 -6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.818 -12.116 -8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.230 -12.798 -7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.646 -12.868 -5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.815 -10.617 -6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.821 -11.570 -3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.627 -9.318 -4.319 1.00 0.00 H new ATOM 0 HH TYR A 33 0.380 -10.196 -1.785 1.00 0.00 H new ATOM 465 N ALA A 34 0.699 -15.150 -8.932 1.00 0.00 N ATOM 466 CA ALA A 34 0.496 -15.541 -10.333 1.00 0.00 C ATOM 467 C ALA A 34 0.285 -14.264 -11.164 1.00 0.00 C ATOM 468 O ALA A 34 -0.041 -13.205 -10.612 1.00 0.00 O ATOM 469 CB ALA A 34 -0.706 -16.496 -10.454 1.00 0.00 C ATOM 0 H ALA A 34 -0.161 -15.138 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 34 1.369 -16.075 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.844 -16.777 -11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.521 -17.390 -9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.605 -15.998 -10.091 1.00 0.00 H new ATOM 475 N MET A 35 0.473 -14.355 -12.481 1.00 0.00 N ATOM 476 CA MET A 35 0.362 -13.195 -13.383 1.00 0.00 C ATOM 477 C MET A 35 -0.388 -13.604 -14.654 1.00 0.00 C ATOM 478 O MET A 35 -0.123 -14.668 -15.215 1.00 0.00 O ATOM 479 CB MET A 35 1.775 -12.663 -13.735 1.00 0.00 C ATOM 480 CG MET A 35 1.781 -11.370 -14.573 1.00 0.00 C ATOM 481 SD MET A 35 3.349 -11.108 -15.417 1.00 0.00 S ATOM 482 CE MET A 35 3.363 -12.542 -16.495 1.00 0.00 C ATOM 0 H MET A 35 0.705 -15.227 -12.956 1.00 0.00 H new ATOM 0 HA MET A 35 -0.194 -12.400 -12.886 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.323 -12.484 -12.810 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.315 -13.437 -14.280 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.978 -11.413 -15.309 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.574 -10.519 -13.925 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.304 -13.078 -16.375 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.534 -13.201 -16.235 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.259 -12.219 -17.531 1.00 0.00 H new ATOM 492 N GLY A 36 -1.314 -12.751 -15.107 1.00 0.00 N ATOM 493 CA GLY A 36 -2.129 -13.018 -16.282 1.00 0.00 C ATOM 494 C GLY A 36 -2.316 -11.788 -17.147 1.00 0.00 C ATOM 495 O GLY A 36 -2.497 -10.682 -16.633 1.00 0.00 O ATOM 0 H GLY A 36 -1.514 -11.855 -14.663 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.663 -13.807 -16.873 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.104 -13.389 -15.968 1.00 0.00 H new ATOM 499 N TRP A 37 -2.281 -11.994 -18.467 1.00 0.00 N ATOM 500 CA TRP A 37 -2.520 -10.961 -19.472 1.00 0.00 C ATOM 501 C TRP A 37 -3.992 -11.009 -19.895 1.00 0.00 C ATOM 502 O TRP A 37 -4.561 -12.097 -20.109 1.00 0.00 O ATOM 503 CB TRP A 37 -1.598 -11.182 -20.706 1.00 0.00 C ATOM 504 CG TRP A 37 -0.144 -10.856 -20.454 1.00 0.00 C ATOM 505 CD1 TRP A 37 0.764 -11.590 -19.739 1.00 0.00 C ATOM 506 CD2 TRP A 37 0.560 -9.696 -20.927 1.00 0.00 C ATOM 507 NE1 TRP A 37 1.986 -10.970 -19.759 1.00 0.00 N ATOM 508 CE2 TRP A 37 1.886 -9.803 -20.479 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.193 -8.582 -21.699 1.00 0.00 C ATOM 510 CZ2 TRP A 37 2.847 -8.830 -20.761 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.148 -7.620 -21.984 1.00 0.00 C ATOM 512 CH2 TRP A 37 2.465 -7.753 -21.522 1.00 0.00 C ATOM 0 H TRP A 37 -2.080 -12.908 -18.873 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.293 -9.983 -19.049 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.677 -12.222 -21.024 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.959 -10.568 -21.531 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.549 -12.520 -19.234 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.834 -11.318 -19.311 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.818 -8.477 -22.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.858 -8.922 -20.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.874 -6.755 -22.570 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.193 -6.994 -21.769 1.00 0.00 H new ATOM 523 N PHE A 38 -4.591 -9.815 -19.972 1.00 0.00 N ATOM 524 CA PHE A 38 -5.984 -9.596 -20.374 1.00 0.00 C ATOM 525 C PHE A 38 -6.000 -8.548 -21.495 1.00 0.00 C ATOM 526 O PHE A 38 -5.125 -7.680 -21.531 1.00 0.00 O ATOM 527 CB PHE A 38 -6.824 -9.104 -19.158 1.00 0.00 C ATOM 528 CG PHE A 38 -6.826 -10.055 -17.957 1.00 0.00 C ATOM 529 CD1 PHE A 38 -5.902 -9.911 -16.920 1.00 0.00 C ATOM 530 CD2 PHE A 38 -7.741 -11.104 -17.876 1.00 0.00 C ATOM 531 CE1 PHE A 38 -5.905 -10.778 -15.841 1.00 0.00 C ATOM 532 CE2 PHE A 38 -7.744 -11.968 -16.800 1.00 0.00 C ATOM 533 CZ PHE A 38 -6.822 -11.809 -15.785 1.00 0.00 C ATOM 0 H PHE A 38 -4.103 -8.947 -19.749 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.423 -10.528 -20.730 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.441 -8.135 -18.837 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.853 -8.948 -19.483 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.176 -9.113 -16.960 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.460 -11.243 -18.670 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.190 -10.648 -15.042 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.468 -12.768 -16.752 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.818 -12.491 -14.947 1.00 0.00 H new ATOM 543 N ARG A 39 -6.978 -8.619 -22.406 1.00 0.00 N ATOM 544 CA ARG A 39 -7.091 -7.643 -23.522 1.00 0.00 C ATOM 545 C ARG A 39 -8.539 -7.193 -23.688 1.00 0.00 C ATOM 546 O ARG A 39 -9.461 -7.890 -23.243 1.00 0.00 O ATOM 547 CB ARG A 39 -6.575 -8.241 -24.855 1.00 0.00 C ATOM 548 CG ARG A 39 -7.521 -9.287 -25.500 1.00 0.00 C ATOM 549 CD ARG A 39 -6.967 -9.867 -26.796 1.00 0.00 C ATOM 550 NE ARG A 39 -7.881 -10.845 -27.407 1.00 0.00 N ATOM 551 CZ ARG A 39 -7.513 -11.768 -28.298 1.00 0.00 C ATOM 552 NH1 ARG A 39 -6.232 -11.979 -28.556 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.417 -12.511 -28.905 1.00 0.00 N ATOM 0 H ARG A 39 -7.705 -9.335 -22.402 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.470 -6.783 -23.271 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.414 -7.429 -25.564 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.606 -8.707 -24.678 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.697 -10.096 -24.791 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.487 -8.822 -25.699 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.779 -9.058 -27.502 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.008 -10.345 -26.597 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.862 -10.816 -27.131 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.518 -11.434 -28.072 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.959 -12.686 -29.238 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.407 -12.383 -28.695 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.127 -13.214 -29.585 1.00 0.00 H new ATOM 567 N GLN A 40 -8.729 -6.047 -24.362 1.00 0.00 N ATOM 568 CA GLN A 40 -10.071 -5.526 -24.680 1.00 0.00 C ATOM 569 C GLN A 40 -9.985 -4.418 -25.733 1.00 0.00 C ATOM 570 O GLN A 40 -9.003 -3.692 -25.768 1.00 0.00 O ATOM 571 CB GLN A 40 -10.766 -5.018 -23.378 1.00 0.00 C ATOM 572 CG GLN A 40 -10.125 -3.797 -22.646 1.00 0.00 C ATOM 573 CD GLN A 40 -10.721 -2.428 -23.017 1.00 0.00 C ATOM 574 OE1 GLN A 40 -12.022 -2.384 -23.280 1.00 0.00 O flip ATOM 575 NE2 GLN A 40 -10.030 -1.418 -23.038 1.00 0.00 N flip ATOM 0 H GLN A 40 -7.966 -5.460 -24.699 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.674 -6.331 -25.099 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.795 -4.759 -23.626 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.807 -5.848 -22.673 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.229 -3.942 -21.571 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.057 -3.782 -22.864 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.033 -1.478 -22.832 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.451 -0.516 -23.261 1.00 0.00 H new ATOM 584 N ALA A 41 -11.002 -4.336 -26.613 1.00 0.00 N ATOM 585 CA ALA A 41 -11.199 -3.207 -27.552 1.00 0.00 C ATOM 586 C ALA A 41 -12.512 -3.403 -28.369 1.00 0.00 C ATOM 587 O ALA A 41 -13.431 -2.593 -28.197 1.00 0.00 O ATOM 588 CB ALA A 41 -9.991 -2.932 -28.496 1.00 0.00 C ATOM 0 H ALA A 41 -11.719 -5.057 -26.695 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.282 -2.316 -26.930 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.223 -2.090 -29.148 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.109 -2.697 -27.900 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.794 -3.816 -29.102 1.00 0.00 H new ATOM 594 N PRO A 42 -12.662 -4.486 -29.245 1.00 0.00 N ATOM 595 CA PRO A 42 -13.816 -4.600 -30.175 1.00 0.00 C ATOM 596 C PRO A 42 -15.101 -5.102 -29.464 1.00 0.00 C ATOM 597 O PRO A 42 -15.480 -6.276 -29.571 1.00 0.00 O ATOM 598 CB PRO A 42 -13.284 -5.574 -31.264 1.00 0.00 C ATOM 599 CG PRO A 42 -12.360 -6.501 -30.528 1.00 0.00 C ATOM 600 CD PRO A 42 -11.753 -5.680 -29.391 1.00 0.00 C ATOM 0 HA PRO A 42 -14.134 -3.645 -30.594 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.099 -6.121 -31.738 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.759 -5.036 -32.054 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.901 -7.364 -30.140 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.583 -6.884 -31.190 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.708 -6.257 -28.468 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.734 -5.374 -29.626 1.00 0.00 H new ATOM 608 N GLY A 43 -15.738 -4.184 -28.701 1.00 0.00 N ATOM 609 CA GLY A 43 -16.921 -4.513 -27.894 1.00 0.00 C ATOM 610 C GLY A 43 -16.608 -5.445 -26.716 1.00 0.00 C ATOM 611 O GLY A 43 -17.518 -6.021 -26.106 1.00 0.00 O ATOM 0 H GLY A 43 -15.446 -3.209 -28.632 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.361 -3.591 -27.513 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.669 -4.983 -28.532 1.00 0.00 H new ATOM 615 N LYS A 44 -15.307 -5.562 -26.390 1.00 0.00 N ATOM 616 CA LYS A 44 -14.783 -6.516 -25.398 1.00 0.00 C ATOM 617 C LYS A 44 -14.405 -5.803 -24.095 1.00 0.00 C ATOM 618 O LYS A 44 -13.936 -4.660 -24.119 1.00 0.00 O ATOM 619 CB LYS A 44 -13.530 -7.243 -25.975 1.00 0.00 C ATOM 620 CG LYS A 44 -13.799 -8.113 -27.230 1.00 0.00 C ATOM 621 CD LYS A 44 -14.666 -9.367 -26.942 1.00 0.00 C ATOM 622 CE LYS A 44 -13.984 -10.362 -25.979 1.00 0.00 C ATOM 623 NZ LYS A 44 -14.710 -11.648 -25.902 1.00 0.00 N ATOM 0 H LYS A 44 -14.580 -4.987 -26.816 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.565 -7.244 -25.180 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.777 -6.495 -26.224 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.105 -7.876 -25.196 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.296 -7.503 -27.985 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.846 -8.430 -27.653 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.619 -9.053 -26.517 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.887 -9.873 -27.882 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.961 -10.543 -26.310 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.924 -9.920 -24.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.218 -12.286 -25.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.678 -11.480 -25.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.745 -12.084 -26.846 1.00 0.00 H new ATOM 637 N GLU A 45 -14.655 -6.486 -22.969 1.00 0.00 N ATOM 638 CA GLU A 45 -14.048 -6.172 -21.662 1.00 0.00 C ATOM 639 C GLU A 45 -12.767 -7.021 -21.504 1.00 0.00 C ATOM 640 O GLU A 45 -12.491 -7.879 -22.366 1.00 0.00 O ATOM 641 CB GLU A 45 -15.055 -6.478 -20.529 1.00 0.00 C ATOM 642 CG GLU A 45 -15.512 -7.949 -20.459 1.00 0.00 C ATOM 643 CD GLU A 45 -16.554 -8.202 -19.364 1.00 0.00 C ATOM 644 OE1 GLU A 45 -17.743 -7.882 -19.575 1.00 0.00 O ATOM 645 OE2 GLU A 45 -16.196 -8.720 -18.289 1.00 0.00 O ATOM 0 H GLU A 45 -15.292 -7.282 -22.937 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.791 -5.114 -21.606 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.603 -6.205 -19.575 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.932 -5.844 -20.659 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.929 -8.240 -21.423 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.645 -8.585 -20.281 1.00 0.00 H new ATOM 652 N ARG A 46 -11.967 -6.772 -20.430 1.00 0.00 N ATOM 653 CA ARG A 46 -10.707 -7.523 -20.195 1.00 0.00 C ATOM 654 C ARG A 46 -11.007 -9.028 -20.043 1.00 0.00 C ATOM 655 O ARG A 46 -11.543 -9.472 -19.022 1.00 0.00 O ATOM 656 CB ARG A 46 -9.923 -6.983 -18.958 1.00 0.00 C ATOM 657 CG ARG A 46 -9.180 -5.637 -19.186 1.00 0.00 C ATOM 658 CD ARG A 46 -8.051 -5.388 -18.154 1.00 0.00 C ATOM 659 NE ARG A 46 -8.541 -5.360 -16.759 1.00 0.00 N ATOM 660 CZ ARG A 46 -7.762 -5.427 -15.656 1.00 0.00 C ATOM 661 NH1 ARG A 46 -6.446 -5.563 -15.753 1.00 0.00 N ATOM 662 NH2 ARG A 46 -8.311 -5.362 -14.453 1.00 0.00 N ATOM 0 H ARG A 46 -12.171 -6.066 -19.723 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.066 -7.375 -21.064 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.621 -6.859 -18.130 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.195 -7.735 -18.652 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.756 -5.628 -20.190 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.898 -4.819 -19.136 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.297 -6.169 -18.253 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.561 -4.441 -18.381 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.548 -5.284 -16.617 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.005 -5.619 -16.671 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.875 -5.612 -14.909 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.322 -5.261 -14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.723 -5.413 -13.621 1.00 0.00 H new ATOM 676 N GLU A 47 -10.686 -9.774 -21.108 1.00 0.00 N ATOM 677 CA GLU A 47 -10.933 -11.213 -21.221 1.00 0.00 C ATOM 678 C GLU A 47 -9.672 -11.984 -20.813 1.00 0.00 C ATOM 679 O GLU A 47 -8.555 -11.464 -20.953 1.00 0.00 O ATOM 680 CB GLU A 47 -11.309 -11.562 -22.693 1.00 0.00 C ATOM 681 CG GLU A 47 -10.202 -11.231 -23.727 1.00 0.00 C ATOM 682 CD GLU A 47 -10.501 -11.738 -25.143 1.00 0.00 C ATOM 683 OE1 GLU A 47 -10.666 -10.926 -26.082 1.00 0.00 O ATOM 684 OE2 GLU A 47 -10.580 -12.967 -25.317 1.00 0.00 O ATOM 0 H GLU A 47 -10.236 -9.381 -21.935 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.755 -11.494 -20.562 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.542 -12.625 -22.754 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.216 -11.021 -22.963 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.062 -10.151 -23.761 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.261 -11.664 -23.388 1.00 0.00 H new ATOM 691 N PHE A 48 -9.865 -13.214 -20.314 1.00 0.00 N ATOM 692 CA PHE A 48 -8.768 -14.156 -20.038 1.00 0.00 C ATOM 693 C PHE A 48 -8.049 -14.483 -21.359 1.00 0.00 C ATOM 694 O PHE A 48 -8.647 -15.075 -22.257 1.00 0.00 O ATOM 695 CB PHE A 48 -9.326 -15.447 -19.366 1.00 0.00 C ATOM 696 CG PHE A 48 -8.307 -16.587 -19.207 1.00 0.00 C ATOM 697 CD1 PHE A 48 -8.285 -17.675 -20.091 1.00 0.00 C ATOM 698 CD2 PHE A 48 -7.358 -16.564 -18.189 1.00 0.00 C ATOM 699 CE1 PHE A 48 -7.353 -18.685 -19.957 1.00 0.00 C ATOM 700 CE2 PHE A 48 -6.431 -17.584 -18.060 1.00 0.00 C ATOM 701 CZ PHE A 48 -6.426 -18.639 -18.941 1.00 0.00 C ATOM 0 H PHE A 48 -10.788 -13.585 -20.090 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.054 -13.706 -19.348 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.715 -15.187 -18.381 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.167 -15.811 -19.955 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.009 -17.724 -20.890 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.345 -15.740 -17.491 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.352 -19.513 -20.651 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.706 -17.551 -17.260 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.697 -19.429 -18.836 1.00 0.00 H new ATOM 711 N VAL A 49 -6.796 -14.026 -21.494 1.00 0.00 N ATOM 712 CA VAL A 49 -5.954 -14.335 -22.661 1.00 0.00 C ATOM 713 C VAL A 49 -4.980 -15.458 -22.296 1.00 0.00 C ATOM 714 O VAL A 49 -4.926 -16.486 -22.984 1.00 0.00 O ATOM 715 CB VAL A 49 -5.168 -13.067 -23.164 1.00 0.00 C ATOM 716 CG1 VAL A 49 -4.278 -13.387 -24.394 1.00 0.00 C ATOM 717 CG2 VAL A 49 -6.145 -11.910 -23.461 1.00 0.00 C ATOM 0 H VAL A 49 -6.338 -13.434 -20.801 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.600 -14.658 -23.477 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.497 -12.753 -22.365 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.754 -12.485 -24.708 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.551 -14.155 -24.128 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.903 -13.747 -25.211 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.585 -11.041 -23.808 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.851 -12.219 -24.232 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.690 -11.652 -22.553 1.00 0.00 H new ATOM 727 N ALA A 50 -4.216 -15.253 -21.199 1.00 0.00 N ATOM 728 CA ALA A 50 -3.215 -16.233 -20.741 1.00 0.00 C ATOM 729 C ALA A 50 -2.737 -15.922 -19.312 1.00 0.00 C ATOM 730 O ALA A 50 -2.494 -14.773 -18.993 1.00 0.00 O ATOM 731 CB ALA A 50 -2.020 -16.259 -21.715 1.00 0.00 C ATOM 0 H ALA A 50 -4.276 -14.417 -20.617 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.685 -17.216 -20.725 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.285 -16.986 -21.369 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.367 -16.539 -22.710 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.562 -15.271 -21.755 1.00 0.00 H new ATOM 737 N VAL A 51 -2.613 -16.958 -18.462 1.00 0.00 N ATOM 738 CA VAL A 51 -2.033 -16.856 -17.099 1.00 0.00 C ATOM 739 C VAL A 51 -0.820 -17.796 -16.983 1.00 0.00 C ATOM 740 O VAL A 51 -0.901 -18.977 -17.330 1.00 0.00 O ATOM 741 CB VAL A 51 -3.096 -17.189 -15.962 1.00 0.00 C ATOM 742 CG1 VAL A 51 -2.427 -17.413 -14.570 1.00 0.00 C ATOM 743 CG2 VAL A 51 -4.173 -16.072 -15.863 1.00 0.00 C ATOM 0 H VAL A 51 -2.915 -17.903 -18.700 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.719 -15.823 -16.950 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.577 -18.124 -16.250 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.195 -17.637 -13.829 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.728 -18.247 -14.632 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.890 -16.511 -14.275 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.887 -16.324 -15.079 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.692 -15.123 -15.625 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.696 -15.985 -16.816 1.00 0.00 H new ATOM 753 N VAL A 52 0.302 -17.249 -16.505 1.00 0.00 N ATOM 754 CA VAL A 52 1.508 -18.012 -16.144 1.00 0.00 C ATOM 755 C VAL A 52 1.748 -17.859 -14.626 1.00 0.00 C ATOM 756 O VAL A 52 1.238 -16.915 -14.005 1.00 0.00 O ATOM 757 CB VAL A 52 2.769 -17.504 -16.958 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.202 -16.079 -16.530 1.00 0.00 C ATOM 759 CG2 VAL A 52 3.963 -18.496 -16.890 1.00 0.00 C ATOM 0 H VAL A 52 0.403 -16.245 -16.354 1.00 0.00 H new ATOM 0 HA VAL A 52 1.360 -19.062 -16.395 1.00 0.00 H new ATOM 0 HB VAL A 52 2.454 -17.455 -18.000 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.070 -15.772 -17.114 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.382 -15.382 -16.704 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.459 -16.080 -15.471 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.800 -18.098 -17.465 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.267 -18.629 -15.852 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.661 -19.457 -17.306 1.00 0.00 H new ATOM 769 N ASN A 53 2.494 -18.795 -14.018 1.00 0.00 N ATOM 770 CA ASN A 53 2.978 -18.623 -12.634 1.00 0.00 C ATOM 771 C ASN A 53 4.308 -17.845 -12.650 1.00 0.00 C ATOM 772 O ASN A 53 4.899 -17.615 -13.717 1.00 0.00 O ATOM 773 CB ASN A 53 3.143 -19.993 -11.910 1.00 0.00 C ATOM 774 CG ASN A 53 4.320 -20.837 -12.404 1.00 0.00 C ATOM 775 OD1 ASN A 53 4.716 -20.759 -13.557 1.00 0.00 O ATOM 776 ND2 ASN A 53 4.888 -21.652 -11.529 1.00 0.00 N ATOM 0 H ASN A 53 2.775 -19.672 -14.456 1.00 0.00 H new ATOM 0 HA ASN A 53 2.235 -18.055 -12.074 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.265 -19.812 -10.842 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.225 -20.567 -12.033 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.676 -22.234 -11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.537 -21.698 -10.572 1.00 0.00 H new ATOM 783 N TRP A 54 4.779 -17.491 -11.457 1.00 0.00 N ATOM 784 CA TRP A 54 6.025 -16.731 -11.258 1.00 0.00 C ATOM 785 C TRP A 54 7.287 -17.479 -11.766 1.00 0.00 C ATOM 786 O TRP A 54 8.282 -16.846 -12.123 1.00 0.00 O ATOM 787 CB TRP A 54 6.168 -16.391 -9.759 1.00 0.00 C ATOM 788 CG TRP A 54 6.259 -17.588 -8.834 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.230 -18.387 -8.411 1.00 0.00 C ATOM 790 CD2 TRP A 54 7.445 -18.102 -8.208 1.00 0.00 C ATOM 791 NE1 TRP A 54 5.705 -19.363 -7.582 1.00 0.00 N ATOM 792 CE2 TRP A 54 7.059 -19.216 -7.445 1.00 0.00 C ATOM 793 CE3 TRP A 54 8.796 -17.736 -8.238 1.00 0.00 C ATOM 794 CZ2 TRP A 54 7.971 -19.960 -6.701 1.00 0.00 C ATOM 795 CZ3 TRP A 54 9.701 -18.472 -7.498 1.00 0.00 C ATOM 796 CH2 TRP A 54 9.288 -19.580 -6.746 1.00 0.00 C ATOM 0 H TRP A 54 4.304 -17.724 -10.585 1.00 0.00 H new ATOM 0 HA TRP A 54 5.955 -15.821 -11.854 1.00 0.00 H new ATOM 0 HB2 TRP A 54 7.060 -15.779 -9.625 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.315 -15.782 -9.457 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.195 -18.263 -8.692 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.141 -20.086 -7.136 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.125 -16.894 -8.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.653 -20.806 -6.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.743 -18.189 -7.499 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.021 -20.146 -6.191 1.00 0.00 H new ATOM 807 N SER A 55 7.233 -18.825 -11.768 1.00 0.00 N ATOM 808 CA SER A 55 8.376 -19.690 -12.159 1.00 0.00 C ATOM 809 C SER A 55 8.439 -19.935 -13.682 1.00 0.00 C ATOM 810 O SER A 55 9.504 -20.273 -14.211 1.00 0.00 O ATOM 811 CB SER A 55 8.271 -21.048 -11.424 1.00 0.00 C ATOM 812 OG SER A 55 8.102 -20.875 -10.028 1.00 0.00 O ATOM 0 H SER A 55 6.399 -19.348 -11.500 1.00 0.00 H new ATOM 0 HA SER A 55 9.290 -19.169 -11.874 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.431 -21.615 -11.825 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.170 -21.634 -11.612 1.00 0.00 H new ATOM 0 HG SER A 55 8.194 -19.926 -9.803 1.00 0.00 H new ATOM 818 N GLY A 56 7.293 -19.777 -14.372 1.00 0.00 N ATOM 819 CA GLY A 56 7.171 -20.140 -15.795 1.00 0.00 C ATOM 820 C GLY A 56 6.926 -21.644 -16.001 1.00 0.00 C ATOM 821 O GLY A 56 6.972 -22.138 -17.131 1.00 0.00 O ATOM 0 H GLY A 56 6.437 -19.399 -13.965 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.351 -19.577 -16.241 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.080 -19.848 -16.320 1.00 0.00 H new ATOM 825 N ARG A 57 6.631 -22.352 -14.885 1.00 0.00 N ATOM 826 CA ARG A 57 6.399 -23.820 -14.847 1.00 0.00 C ATOM 827 C ARG A 57 4.934 -24.170 -15.221 1.00 0.00 C ATOM 828 O ARG A 57 4.634 -25.287 -15.650 1.00 0.00 O ATOM 829 CB ARG A 57 6.735 -24.344 -13.414 1.00 0.00 C ATOM 830 CG ARG A 57 6.603 -25.872 -13.204 1.00 0.00 C ATOM 831 CD ARG A 57 7.577 -26.693 -14.067 1.00 0.00 C ATOM 832 NE ARG A 57 7.375 -28.144 -13.886 1.00 0.00 N ATOM 833 CZ ARG A 57 8.225 -29.102 -14.280 1.00 0.00 C ATOM 834 NH1 ARG A 57 9.375 -28.800 -14.869 1.00 0.00 N ATOM 835 NH2 ARG A 57 7.913 -30.371 -14.068 1.00 0.00 N ATOM 0 H ARG A 57 6.546 -21.913 -13.968 1.00 0.00 H new ATOM 0 HA ARG A 57 7.045 -24.301 -15.581 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.756 -24.050 -13.171 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.081 -23.841 -12.702 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.777 -26.103 -12.153 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.582 -26.176 -13.433 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.440 -26.434 -15.117 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.603 -26.433 -13.806 1.00 0.00 H new ATOM 0 HE ARG A 57 6.517 -28.442 -13.422 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.625 -27.824 -15.029 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.009 -29.544 -15.162 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.034 -30.610 -13.609 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.552 -31.109 -14.363 1.00 0.00 H new ATOM 849 N ARG A 58 4.032 -23.198 -15.031 1.00 0.00 N ATOM 850 CA ARG A 58 2.591 -23.342 -15.302 1.00 0.00 C ATOM 851 C ARG A 58 2.181 -22.287 -16.328 1.00 0.00 C ATOM 852 O ARG A 58 2.350 -21.100 -16.072 1.00 0.00 O ATOM 853 CB ARG A 58 1.784 -23.151 -13.983 1.00 0.00 C ATOM 854 CG ARG A 58 2.070 -24.194 -12.867 1.00 0.00 C ATOM 855 CD ARG A 58 1.438 -25.580 -13.141 1.00 0.00 C ATOM 856 NE ARG A 58 1.975 -26.233 -14.358 1.00 0.00 N ATOM 857 CZ ARG A 58 1.239 -26.707 -15.379 1.00 0.00 C ATOM 858 NH1 ARG A 58 -0.081 -26.594 -15.378 1.00 0.00 N ATOM 859 NH2 ARG A 58 1.834 -27.277 -16.410 1.00 0.00 N ATOM 0 H ARG A 58 4.284 -22.274 -14.679 1.00 0.00 H new ATOM 0 HA ARG A 58 2.382 -24.337 -15.694 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.995 -22.157 -13.589 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.721 -23.181 -14.221 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.148 -24.310 -12.757 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.692 -23.812 -11.918 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.611 -26.228 -12.282 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.359 -25.467 -13.243 1.00 0.00 H new ATOM 0 HE ARG A 58 2.988 -26.331 -14.427 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.554 -26.142 -14.595 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.625 -26.959 -16.160 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.851 -27.358 -16.432 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.277 -27.637 -17.185 1.00 0.00 H new ATOM 873 N THR A 59 1.657 -22.728 -17.485 1.00 0.00 N ATOM 874 CA THR A 59 1.126 -21.835 -18.537 1.00 0.00 C ATOM 875 C THR A 59 -0.298 -22.288 -18.908 1.00 0.00 C ATOM 876 O THR A 59 -0.541 -23.474 -19.164 1.00 0.00 O ATOM 877 CB THR A 59 2.032 -21.825 -19.821 1.00 0.00 C ATOM 878 OG1 THR A 59 2.223 -23.168 -20.301 1.00 0.00 O ATOM 879 CG2 THR A 59 3.407 -21.162 -19.575 1.00 0.00 C ATOM 0 H THR A 59 1.588 -23.718 -17.720 1.00 0.00 H new ATOM 0 HA THR A 59 1.114 -20.819 -18.142 1.00 0.00 H new ATOM 0 HB THR A 59 1.512 -21.229 -20.571 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.787 -23.152 -21.102 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.991 -21.183 -20.495 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.262 -20.128 -19.261 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.939 -21.707 -18.795 1.00 0.00 H new ATOM 887 N TYR A 60 -1.221 -21.323 -18.932 1.00 0.00 N ATOM 888 CA TYR A 60 -2.641 -21.530 -19.239 1.00 0.00 C ATOM 889 C TYR A 60 -3.042 -20.490 -20.283 1.00 0.00 C ATOM 890 O TYR A 60 -2.691 -19.322 -20.143 1.00 0.00 O ATOM 891 CB TYR A 60 -3.505 -21.388 -17.953 1.00 0.00 C ATOM 892 CG TYR A 60 -3.098 -22.357 -16.821 1.00 0.00 C ATOM 893 CD1 TYR A 60 -2.382 -21.919 -15.695 1.00 0.00 C ATOM 894 CD2 TYR A 60 -3.414 -23.720 -16.897 1.00 0.00 C ATOM 895 CE1 TYR A 60 -2.000 -22.806 -14.701 1.00 0.00 C ATOM 896 CE2 TYR A 60 -3.033 -24.602 -15.900 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.330 -24.141 -14.807 1.00 0.00 C ATOM 898 OH TYR A 60 -1.945 -25.023 -13.821 1.00 0.00 O ATOM 0 H TYR A 60 -0.996 -20.348 -18.733 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.806 -22.535 -19.627 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.430 -20.364 -17.587 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.551 -21.560 -18.208 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.125 -20.874 -15.602 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.965 -24.089 -17.749 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.445 -22.452 -13.845 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.286 -25.649 -15.978 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.441 -25.862 -13.921 1.00 0.00 H new ATOM 908 N TYR A 61 -3.735 -20.921 -21.343 1.00 0.00 N ATOM 909 CA TYR A 61 -4.131 -20.047 -22.464 1.00 0.00 C ATOM 910 C TYR A 61 -5.629 -20.191 -22.731 1.00 0.00 C ATOM 911 O TYR A 61 -6.211 -21.258 -22.488 1.00 0.00 O ATOM 912 CB TYR A 61 -3.348 -20.419 -23.749 1.00 0.00 C ATOM 913 CG TYR A 61 -1.817 -20.381 -23.613 1.00 0.00 C ATOM 914 CD1 TYR A 61 -1.087 -21.526 -23.257 1.00 0.00 C ATOM 915 CD2 TYR A 61 -1.104 -19.201 -23.824 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.287 -21.483 -23.109 1.00 0.00 C ATOM 917 CE2 TYR A 61 0.267 -19.162 -23.683 1.00 0.00 C ATOM 918 CZ TYR A 61 0.959 -20.302 -23.325 1.00 0.00 C ATOM 919 OH TYR A 61 2.330 -20.247 -23.162 1.00 0.00 O ATOM 0 H TYR A 61 -4.040 -21.888 -21.452 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.901 -19.017 -22.193 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.645 -21.421 -24.060 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.644 -19.737 -24.546 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.608 -22.458 -23.096 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.635 -18.303 -24.103 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.830 -22.372 -22.825 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.800 -18.238 -23.853 1.00 0.00 H new ATOM 0 HH TYR A 61 2.765 -20.755 -23.878 1.00 0.00 H new ATOM 929 N ALA A 62 -6.238 -19.110 -23.239 1.00 0.00 N ATOM 930 CA ALA A 62 -7.618 -19.126 -23.722 1.00 0.00 C ATOM 931 C ALA A 62 -7.667 -19.912 -25.027 1.00 0.00 C ATOM 932 O ALA A 62 -6.816 -19.700 -25.890 1.00 0.00 O ATOM 933 CB ALA A 62 -8.124 -17.695 -23.930 1.00 0.00 C ATOM 0 H ALA A 62 -5.783 -18.201 -23.325 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.265 -19.604 -22.986 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.153 -17.721 -24.290 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.084 -17.154 -22.985 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.496 -17.190 -24.664 1.00 0.00 H new ATOM 939 N ASP A 63 -8.668 -20.795 -25.165 1.00 0.00 N ATOM 940 CA ASP A 63 -8.800 -21.716 -26.320 1.00 0.00 C ATOM 941 C ASP A 63 -8.749 -20.961 -27.674 1.00 0.00 C ATOM 942 O ASP A 63 -8.244 -21.496 -28.673 1.00 0.00 O ATOM 943 CB ASP A 63 -10.119 -22.512 -26.191 1.00 0.00 C ATOM 944 CG ASP A 63 -10.337 -23.529 -27.333 1.00 0.00 C ATOM 945 OD1 ASP A 63 -11.245 -23.329 -28.171 1.00 0.00 O ATOM 946 OD2 ASP A 63 -9.589 -24.527 -27.399 1.00 0.00 O ATOM 0 H ASP A 63 -9.416 -20.896 -24.479 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.953 -22.402 -26.308 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.124 -23.041 -25.238 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.956 -21.814 -26.172 1.00 0.00 H new ATOM 951 N SER A 64 -9.233 -19.705 -27.667 1.00 0.00 N ATOM 952 CA SER A 64 -9.242 -18.818 -28.845 1.00 0.00 C ATOM 953 C SER A 64 -7.808 -18.494 -29.345 1.00 0.00 C ATOM 954 O SER A 64 -7.539 -18.549 -30.549 1.00 0.00 O ATOM 955 CB SER A 64 -9.980 -17.508 -28.491 1.00 0.00 C ATOM 956 OG SER A 64 -10.001 -16.599 -29.582 1.00 0.00 O ATOM 0 H SER A 64 -9.633 -19.273 -26.834 1.00 0.00 H new ATOM 0 HA SER A 64 -9.758 -19.338 -29.652 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.002 -17.737 -28.190 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.494 -17.038 -27.636 1.00 0.00 H new ATOM 0 HG SER A 64 -10.478 -15.784 -29.320 1.00 0.00 H new ATOM 962 N VAL A 65 -6.888 -18.202 -28.402 1.00 0.00 N ATOM 963 CA VAL A 65 -5.499 -17.753 -28.714 1.00 0.00 C ATOM 964 C VAL A 65 -4.451 -18.839 -28.397 1.00 0.00 C ATOM 965 O VAL A 65 -3.244 -18.624 -28.578 1.00 0.00 O ATOM 966 CB VAL A 65 -5.153 -16.434 -27.924 1.00 0.00 C ATOM 967 CG1 VAL A 65 -6.082 -15.272 -28.352 1.00 0.00 C ATOM 968 CG2 VAL A 65 -5.202 -16.663 -26.386 1.00 0.00 C ATOM 0 H VAL A 65 -7.079 -18.268 -27.402 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.462 -17.556 -29.785 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.131 -16.153 -28.177 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.822 -14.374 -27.792 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.960 -15.083 -29.419 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.118 -15.540 -28.147 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.958 -15.733 -25.872 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.202 -16.986 -26.098 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.479 -17.431 -26.109 1.00 0.00 H new ATOM 978 N LYS A 66 -4.933 -20.002 -27.937 1.00 0.00 N ATOM 979 CA LYS A 66 -4.088 -21.101 -27.454 1.00 0.00 C ATOM 980 C LYS A 66 -3.317 -21.749 -28.615 1.00 0.00 C ATOM 981 O LYS A 66 -3.888 -21.994 -29.688 1.00 0.00 O ATOM 982 CB LYS A 66 -4.977 -22.154 -26.733 1.00 0.00 C ATOM 983 CG LYS A 66 -4.209 -23.272 -25.997 1.00 0.00 C ATOM 984 CD LYS A 66 -5.145 -24.238 -25.223 1.00 0.00 C ATOM 985 CE LYS A 66 -6.144 -24.958 -26.149 1.00 0.00 C ATOM 986 NZ LYS A 66 -5.448 -25.752 -27.194 1.00 0.00 N ATOM 0 H LYS A 66 -5.931 -20.207 -27.890 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.356 -20.704 -26.750 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.612 -21.638 -26.013 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.637 -22.613 -27.469 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.625 -23.841 -26.720 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.502 -22.822 -25.300 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.543 -24.979 -24.697 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.694 -23.678 -24.466 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.781 -25.615 -25.557 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.796 -24.224 -26.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.142 -26.328 -27.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.968 -25.109 -27.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.746 -26.375 -26.746 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.014 -21.982 -28.392 1.00 0.00 N ATOM 1001 CA GLY A 67 -1.136 -22.633 -29.362 1.00 0.00 C ATOM 1002 C GLY A 67 -0.308 -21.657 -30.192 1.00 0.00 C ATOM 1003 O GLY A 67 0.775 -22.022 -30.671 1.00 0.00 O ATOM 0 H GLY A 67 -1.542 -21.720 -27.526 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.463 -23.308 -28.834 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.740 -23.245 -30.032 1.00 0.00 H new ATOM 1007 N ARG A 68 -0.807 -20.414 -30.364 1.00 0.00 N ATOM 1008 CA ARG A 68 -0.097 -19.362 -31.126 1.00 0.00 C ATOM 1009 C ARG A 68 0.477 -18.279 -30.184 1.00 0.00 C ATOM 1010 O ARG A 68 1.396 -17.551 -30.566 1.00 0.00 O ATOM 1011 CB ARG A 68 -1.019 -18.753 -32.229 1.00 0.00 C ATOM 1012 CG ARG A 68 -2.246 -17.940 -31.736 1.00 0.00 C ATOM 1013 CD ARG A 68 -3.003 -17.242 -32.895 1.00 0.00 C ATOM 1014 NE ARG A 68 -4.118 -16.379 -32.430 1.00 0.00 N ATOM 1015 CZ ARG A 68 -5.410 -16.754 -32.337 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -5.793 -17.984 -32.645 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -6.322 -15.886 -31.934 1.00 0.00 N ATOM 0 H ARG A 68 -1.704 -20.113 -29.983 1.00 0.00 H new ATOM 0 HA ARG A 68 0.751 -19.823 -31.633 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.412 -18.105 -32.861 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.379 -19.566 -32.859 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.930 -18.605 -31.209 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.915 -17.189 -31.019 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.299 -16.638 -33.468 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.397 -18.000 -33.572 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.888 -15.423 -32.158 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.105 -18.669 -32.960 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.776 -18.247 -32.567 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.048 -14.933 -31.694 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.299 -16.169 -31.863 1.00 0.00 H new ATOM 1031 N PHE A 69 -0.068 -18.172 -28.953 1.00 0.00 N ATOM 1032 CA PHE A 69 0.459 -17.258 -27.908 1.00 0.00 C ATOM 1033 C PHE A 69 1.377 -18.030 -26.939 1.00 0.00 C ATOM 1034 O PHE A 69 1.288 -19.262 -26.824 1.00 0.00 O ATOM 1035 CB PHE A 69 -0.709 -16.572 -27.124 1.00 0.00 C ATOM 1036 CG PHE A 69 -1.449 -15.450 -27.869 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -1.563 -15.438 -29.257 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -2.049 -14.404 -27.162 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -2.246 -14.433 -29.914 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -2.728 -13.397 -27.822 1.00 0.00 C ATOM 1041 CZ PHE A 69 -2.827 -13.411 -29.198 1.00 0.00 C ATOM 0 H PHE A 69 -0.880 -18.711 -28.654 1.00 0.00 H new ATOM 0 HA PHE A 69 1.041 -16.478 -28.398 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.434 -17.338 -26.847 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.308 -16.163 -26.197 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.108 -16.231 -29.832 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.981 -14.382 -26.084 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.324 -14.449 -30.991 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.183 -12.596 -27.258 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.358 -12.623 -29.711 1.00 0.00 H new ATOM 1051 N THR A 70 2.264 -17.282 -26.259 1.00 0.00 N ATOM 1052 CA THR A 70 3.212 -17.809 -25.257 1.00 0.00 C ATOM 1053 C THR A 70 3.498 -16.717 -24.210 1.00 0.00 C ATOM 1054 O THR A 70 3.721 -15.559 -24.583 1.00 0.00 O ATOM 1055 CB THR A 70 4.554 -18.264 -25.938 1.00 0.00 C ATOM 1056 OG1 THR A 70 4.300 -19.341 -26.858 1.00 0.00 O ATOM 1057 CG2 THR A 70 5.619 -18.710 -24.917 1.00 0.00 C ATOM 0 H THR A 70 2.345 -16.274 -26.392 1.00 0.00 H new ATOM 0 HA THR A 70 2.767 -18.679 -24.774 1.00 0.00 H new ATOM 0 HB THR A 70 4.947 -17.396 -26.467 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.141 -19.617 -27.279 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.524 -19.013 -25.444 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.850 -17.882 -24.247 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.238 -19.551 -24.337 1.00 0.00 H new ATOM 1065 N ILE A 71 3.484 -17.074 -22.898 1.00 0.00 N ATOM 1066 CA ILE A 71 3.958 -16.159 -21.829 1.00 0.00 C ATOM 1067 C ILE A 71 5.361 -16.609 -21.391 1.00 0.00 C ATOM 1068 O ILE A 71 5.648 -17.807 -21.322 1.00 0.00 O ATOM 1069 CB ILE A 71 3.036 -16.059 -20.525 1.00 0.00 C ATOM 1070 CG1 ILE A 71 1.531 -16.412 -20.807 1.00 0.00 C ATOM 1071 CG2 ILE A 71 3.173 -14.645 -19.886 1.00 0.00 C ATOM 1072 CD1 ILE A 71 1.176 -17.878 -20.595 1.00 0.00 C ATOM 0 H ILE A 71 3.154 -17.978 -22.560 1.00 0.00 H new ATOM 0 HA ILE A 71 3.938 -15.165 -22.275 1.00 0.00 H new ATOM 0 HB ILE A 71 3.391 -16.809 -19.819 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.900 -15.801 -20.161 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.293 -16.139 -21.835 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.543 -14.584 -18.999 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.212 -14.472 -19.606 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.860 -13.889 -20.606 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.119 -18.031 -20.812 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.777 -18.498 -21.261 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.378 -18.155 -19.560 1.00 0.00 H new ATOM 1084 N SER A 72 6.215 -15.629 -21.110 1.00 0.00 N ATOM 1085 CA SER A 72 7.559 -15.818 -20.552 1.00 0.00 C ATOM 1086 C SER A 72 7.811 -14.683 -19.554 1.00 0.00 C ATOM 1087 O SER A 72 7.108 -13.670 -19.581 1.00 0.00 O ATOM 1088 CB SER A 72 8.621 -15.818 -21.689 1.00 0.00 C ATOM 1089 OG SER A 72 8.364 -16.856 -22.626 1.00 0.00 O ATOM 0 H SER A 72 5.987 -14.647 -21.268 1.00 0.00 H new ATOM 0 HA SER A 72 7.635 -16.779 -20.044 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.614 -14.854 -22.198 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.616 -15.946 -21.262 1.00 0.00 H new ATOM 0 HG SER A 72 9.043 -16.835 -23.332 1.00 0.00 H new ATOM 1095 N ARG A 73 8.775 -14.869 -18.649 1.00 0.00 N ATOM 1096 CA ARG A 73 9.202 -13.816 -17.711 1.00 0.00 C ATOM 1097 C ARG A 73 10.594 -14.150 -17.172 1.00 0.00 C ATOM 1098 O ARG A 73 11.148 -15.215 -17.485 1.00 0.00 O ATOM 1099 CB ARG A 73 8.152 -13.573 -16.555 1.00 0.00 C ATOM 1100 CG ARG A 73 8.093 -14.585 -15.370 1.00 0.00 C ATOM 1101 CD ARG A 73 7.697 -16.041 -15.739 1.00 0.00 C ATOM 1102 NE ARG A 73 8.838 -16.841 -16.241 1.00 0.00 N ATOM 1103 CZ ARG A 73 9.891 -17.253 -15.490 1.00 0.00 C ATOM 1104 NH1 ARG A 73 10.014 -16.900 -14.215 1.00 0.00 N ATOM 1105 NH2 ARG A 73 10.833 -18.006 -16.031 1.00 0.00 N ATOM 0 H ARG A 73 9.282 -15.747 -18.542 1.00 0.00 H new ATOM 0 HA ARG A 73 9.255 -12.872 -18.253 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.344 -12.585 -16.136 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.162 -13.539 -17.010 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.070 -14.606 -14.887 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.381 -14.211 -14.634 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.275 -16.531 -14.861 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.915 -16.018 -16.498 1.00 0.00 H new ATOM 0 HE ARG A 73 8.832 -17.102 -17.227 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.308 -16.307 -13.780 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.815 -17.223 -13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.768 -18.277 -17.012 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.625 -18.316 -15.467 1.00 0.00 H new ATOM 1119 N ASP A 74 11.167 -13.222 -16.407 1.00 0.00 N ATOM 1120 CA ASP A 74 12.445 -13.423 -15.722 1.00 0.00 C ATOM 1121 C ASP A 74 12.416 -12.619 -14.417 1.00 0.00 C ATOM 1122 O ASP A 74 12.285 -11.389 -14.444 1.00 0.00 O ATOM 1123 CB ASP A 74 13.634 -12.992 -16.628 1.00 0.00 C ATOM 1124 CG ASP A 74 14.993 -13.492 -16.103 1.00 0.00 C ATOM 1125 OD1 ASP A 74 15.496 -14.527 -16.590 1.00 0.00 O ATOM 1126 OD2 ASP A 74 15.556 -12.874 -15.177 1.00 0.00 O ATOM 0 H ASP A 74 10.756 -12.303 -16.243 1.00 0.00 H new ATOM 0 HA ASP A 74 12.589 -14.480 -15.498 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.475 -13.375 -17.636 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.655 -11.905 -16.700 1.00 0.00 H new ATOM 1131 N ASN A 75 12.538 -13.331 -13.286 1.00 0.00 N ATOM 1132 CA ASN A 75 12.401 -12.755 -11.934 1.00 0.00 C ATOM 1133 C ASN A 75 13.639 -11.917 -11.544 1.00 0.00 C ATOM 1134 O ASN A 75 13.540 -11.012 -10.707 1.00 0.00 O ATOM 1135 CB ASN A 75 12.153 -13.886 -10.889 1.00 0.00 C ATOM 1136 CG ASN A 75 10.873 -14.701 -11.148 1.00 0.00 C ATOM 1137 OD1 ASN A 75 9.893 -14.194 -11.697 1.00 0.00 O ATOM 1138 ND2 ASN A 75 10.873 -15.970 -10.745 1.00 0.00 N ATOM 0 H ASN A 75 12.736 -14.332 -13.281 1.00 0.00 H new ATOM 0 HA ASN A 75 11.541 -12.085 -11.941 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.009 -14.561 -10.888 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.096 -13.443 -9.895 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.047 -16.550 -10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.699 -16.362 -10.293 1.00 0.00 H new ATOM 1145 N ALA A 76 14.796 -12.224 -12.165 1.00 0.00 N ATOM 1146 CA ALA A 76 16.073 -11.518 -11.911 1.00 0.00 C ATOM 1147 C ALA A 76 16.129 -10.183 -12.682 1.00 0.00 C ATOM 1148 O ALA A 76 16.651 -9.184 -12.182 1.00 0.00 O ATOM 1149 CB ALA A 76 17.255 -12.423 -12.300 1.00 0.00 C ATOM 0 H ALA A 76 14.874 -12.969 -12.858 1.00 0.00 H new ATOM 0 HA ALA A 76 16.139 -11.288 -10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.192 -11.899 -12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.224 -13.337 -11.707 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.187 -12.675 -13.358 1.00 0.00 H new ATOM 1155 N LYS A 77 15.578 -10.192 -13.907 1.00 0.00 N ATOM 1156 CA LYS A 77 15.507 -8.999 -14.776 1.00 0.00 C ATOM 1157 C LYS A 77 14.251 -8.173 -14.489 1.00 0.00 C ATOM 1158 O LYS A 77 14.156 -7.027 -14.941 1.00 0.00 O ATOM 1159 CB LYS A 77 15.553 -9.411 -16.276 1.00 0.00 C ATOM 1160 CG LYS A 77 16.861 -10.113 -16.760 1.00 0.00 C ATOM 1161 CD LYS A 77 18.138 -9.211 -16.735 1.00 0.00 C ATOM 1162 CE LYS A 77 18.848 -9.149 -15.360 1.00 0.00 C ATOM 1163 NZ LYS A 77 20.024 -8.251 -15.374 1.00 0.00 N ATOM 0 H LYS A 77 15.168 -11.027 -14.326 1.00 0.00 H new ATOM 0 HA LYS A 77 16.375 -8.377 -14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.714 -10.078 -16.474 1.00 0.00 H new ATOM 0 HB3 LYS A 77 15.400 -8.517 -16.881 1.00 0.00 H new ATOM 0 HG2 LYS A 77 17.039 -10.988 -16.135 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.708 -10.473 -17.777 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.844 -9.580 -17.479 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.860 -8.200 -17.033 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.141 -8.806 -14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 77 19.163 -10.152 -15.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.466 -8.242 -14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 20.712 -8.591 -16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.722 -7.288 -15.624 1.00 0.00 H new ATOM 1177 N ASN A 78 13.294 -8.792 -13.756 1.00 0.00 N ATOM 1178 CA ASN A 78 11.994 -8.181 -13.384 1.00 0.00 C ATOM 1179 C ASN A 78 11.165 -7.845 -14.638 1.00 0.00 C ATOM 1180 O ASN A 78 10.324 -6.951 -14.617 1.00 0.00 O ATOM 1181 CB ASN A 78 12.202 -6.910 -12.495 1.00 0.00 C ATOM 1182 CG ASN A 78 13.034 -7.138 -11.231 1.00 0.00 C ATOM 1183 OD1 ASN A 78 12.899 -8.295 -10.595 1.00 0.00 O flip ATOM 1184 ND2 ASN A 78 13.795 -6.261 -10.815 1.00 0.00 N flip ATOM 0 H ASN A 78 13.405 -9.742 -13.402 1.00 0.00 H new ATOM 0 HA ASN A 78 11.438 -8.912 -12.797 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.684 -6.139 -13.096 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.225 -6.523 -12.205 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.882 -5.380 -11.321 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.337 -6.417 -9.965 1.00 0.00 H new ATOM 1191 N THR A 79 11.392 -8.606 -15.723 1.00 0.00 N ATOM 1192 CA THR A 79 10.815 -8.310 -17.045 1.00 0.00 C ATOM 1193 C THR A 79 9.995 -9.506 -17.556 1.00 0.00 C ATOM 1194 O THR A 79 10.430 -10.652 -17.477 1.00 0.00 O ATOM 1195 CB THR A 79 11.929 -7.936 -18.084 1.00 0.00 C ATOM 1196 OG1 THR A 79 12.752 -6.886 -17.549 1.00 0.00 O ATOM 1197 CG2 THR A 79 11.327 -7.464 -19.421 1.00 0.00 C ATOM 0 H THR A 79 11.978 -9.440 -15.708 1.00 0.00 H new ATOM 0 HA THR A 79 10.155 -7.450 -16.932 1.00 0.00 H new ATOM 0 HB THR A 79 12.522 -8.832 -18.271 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.195 -7.201 -16.734 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.131 -7.214 -20.114 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.716 -8.260 -19.846 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.708 -6.583 -19.251 1.00 0.00 H new ATOM 1205 N VAL A 80 8.801 -9.190 -18.054 1.00 0.00 N ATOM 1206 CA VAL A 80 7.845 -10.132 -18.637 1.00 0.00 C ATOM 1207 C VAL A 80 7.868 -9.988 -20.168 1.00 0.00 C ATOM 1208 O VAL A 80 8.240 -8.939 -20.684 1.00 0.00 O ATOM 1209 CB VAL A 80 6.400 -9.836 -18.085 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.337 -10.773 -18.708 1.00 0.00 C ATOM 1211 CG2 VAL A 80 6.380 -9.895 -16.530 1.00 0.00 C ATOM 0 H VAL A 80 8.458 -8.229 -18.063 1.00 0.00 H new ATOM 0 HA VAL A 80 8.120 -11.151 -18.365 1.00 0.00 H new ATOM 0 HB VAL A 80 6.134 -8.822 -18.385 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.356 -10.533 -18.298 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.322 -10.638 -19.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.584 -11.809 -18.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.372 -9.687 -16.171 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.686 -10.888 -16.200 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.068 -9.151 -16.129 1.00 0.00 H new ATOM 1221 N TYR A 81 7.502 -11.065 -20.877 1.00 0.00 N ATOM 1222 CA TYR A 81 7.361 -11.088 -22.341 1.00 0.00 C ATOM 1223 C TYR A 81 6.087 -11.866 -22.711 1.00 0.00 C ATOM 1224 O TYR A 81 5.759 -12.864 -22.062 1.00 0.00 O ATOM 1225 CB TYR A 81 8.612 -11.736 -23.002 1.00 0.00 C ATOM 1226 CG TYR A 81 9.921 -10.986 -22.706 1.00 0.00 C ATOM 1227 CD1 TYR A 81 10.257 -9.821 -23.405 1.00 0.00 C ATOM 1228 CD2 TYR A 81 10.801 -11.420 -21.704 1.00 0.00 C ATOM 1229 CE1 TYR A 81 11.413 -9.125 -23.118 1.00 0.00 C ATOM 1230 CE2 TYR A 81 11.962 -10.727 -21.422 1.00 0.00 C ATOM 1231 CZ TYR A 81 12.260 -9.578 -22.129 1.00 0.00 C ATOM 1232 OH TYR A 81 13.409 -8.870 -21.843 1.00 0.00 O ATOM 0 H TYR A 81 7.291 -11.963 -20.441 1.00 0.00 H new ATOM 0 HA TYR A 81 7.281 -10.067 -22.713 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.705 -12.765 -22.653 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.462 -11.777 -24.081 1.00 0.00 H new ATOM 0 HD1 TYR A 81 9.600 -9.461 -24.183 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.567 -12.312 -21.143 1.00 0.00 H new ATOM 0 HE1 TYR A 81 11.654 -8.227 -23.667 1.00 0.00 H new ATOM 0 HE2 TYR A 81 12.633 -11.081 -20.653 1.00 0.00 H new ATOM 0 HH TYR A 81 13.898 -9.318 -21.121 1.00 0.00 H new ATOM 1242 N LEU A 82 5.368 -11.402 -23.740 1.00 0.00 N ATOM 1243 CA LEU A 82 4.150 -12.069 -24.244 1.00 0.00 C ATOM 1244 C LEU A 82 4.290 -12.172 -25.771 1.00 0.00 C ATOM 1245 O LEU A 82 4.088 -11.196 -26.489 1.00 0.00 O ATOM 1246 CB LEU A 82 2.873 -11.268 -23.803 1.00 0.00 C ATOM 1247 CG LEU A 82 1.479 -12.000 -23.832 1.00 0.00 C ATOM 1248 CD1 LEU A 82 0.933 -12.217 -25.250 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.519 -13.322 -23.046 1.00 0.00 C ATOM 0 H LEU A 82 5.610 -10.553 -24.251 1.00 0.00 H new ATOM 0 HA LEU A 82 4.035 -13.070 -23.828 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.040 -10.913 -22.786 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.798 -10.387 -24.440 1.00 0.00 H new ATOM 0 HG LEU A 82 0.780 -11.326 -23.336 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.029 -12.726 -25.195 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.806 -11.253 -25.743 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.634 -12.826 -25.820 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.540 -13.800 -23.088 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.265 -13.984 -23.486 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.780 -13.120 -22.007 1.00 0.00 H new ATOM 1261 N GLN A 83 4.693 -13.354 -26.245 1.00 0.00 N ATOM 1262 CA GLN A 83 4.927 -13.615 -27.670 1.00 0.00 C ATOM 1263 C GLN A 83 3.607 -14.013 -28.353 1.00 0.00 C ATOM 1264 O GLN A 83 2.997 -15.026 -27.995 1.00 0.00 O ATOM 1265 CB GLN A 83 6.003 -14.720 -27.839 1.00 0.00 C ATOM 1266 CG GLN A 83 6.305 -15.100 -29.299 1.00 0.00 C ATOM 1267 CD GLN A 83 7.482 -16.066 -29.449 1.00 0.00 C ATOM 1268 OE1 GLN A 83 7.306 -17.280 -29.417 1.00 0.00 O ATOM 1269 NE2 GLN A 83 8.685 -15.531 -29.611 1.00 0.00 N ATOM 0 H GLN A 83 4.867 -14.162 -25.648 1.00 0.00 H new ATOM 0 HA GLN A 83 5.297 -12.708 -28.148 1.00 0.00 H new ATOM 0 HB2 GLN A 83 6.926 -14.386 -27.366 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.676 -15.612 -27.305 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.416 -15.552 -29.739 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.516 -14.193 -29.866 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.793 -14.517 -29.633 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.501 -16.134 -29.714 1.00 0.00 H new ATOM 1278 N MET A 84 3.164 -13.187 -29.317 1.00 0.00 N ATOM 1279 CA MET A 84 1.944 -13.428 -30.103 1.00 0.00 C ATOM 1280 C MET A 84 2.316 -13.767 -31.553 1.00 0.00 C ATOM 1281 O MET A 84 2.628 -12.876 -32.338 1.00 0.00 O ATOM 1282 CB MET A 84 1.022 -12.184 -30.079 1.00 0.00 C ATOM 1283 CG MET A 84 0.592 -11.705 -28.695 1.00 0.00 C ATOM 1284 SD MET A 84 -0.812 -10.562 -28.737 1.00 0.00 S ATOM 1285 CE MET A 84 -0.258 -9.266 -29.845 1.00 0.00 C ATOM 0 H MET A 84 3.648 -12.326 -29.574 1.00 0.00 H new ATOM 0 HA MET A 84 1.408 -14.267 -29.659 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.535 -11.365 -30.584 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.127 -12.407 -30.660 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.330 -12.569 -28.084 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.436 -11.215 -28.209 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.285 -8.308 -29.326 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.762 -9.475 -30.168 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.914 -9.226 -30.715 1.00 0.00 H new ATOM 1295 N ASN A 85 2.315 -15.059 -31.887 1.00 0.00 N ATOM 1296 CA ASN A 85 2.613 -15.555 -33.252 1.00 0.00 C ATOM 1297 C ASN A 85 1.304 -15.854 -33.994 1.00 0.00 C ATOM 1298 O ASN A 85 0.273 -16.097 -33.354 1.00 0.00 O ATOM 1299 CB ASN A 85 3.495 -16.827 -33.175 1.00 0.00 C ATOM 1300 CG ASN A 85 4.841 -16.592 -32.482 1.00 0.00 C ATOM 1301 OD1 ASN A 85 5.438 -15.516 -32.590 1.00 0.00 O ATOM 1302 ND2 ASN A 85 5.326 -17.592 -31.761 1.00 0.00 N ATOM 0 H ASN A 85 2.107 -15.803 -31.221 1.00 0.00 H new ATOM 0 HA ASN A 85 3.160 -14.788 -33.800 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.951 -17.606 -32.641 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.674 -17.198 -34.184 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.217 -17.486 -31.275 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.809 -18.468 -31.692 1.00 0.00 H new ATOM 1309 N SER A 86 1.356 -15.783 -35.341 1.00 0.00 N ATOM 1310 CA SER A 86 0.252 -16.181 -36.246 1.00 0.00 C ATOM 1311 C SER A 86 -1.045 -15.403 -35.912 1.00 0.00 C ATOM 1312 O SER A 86 -2.147 -15.965 -35.906 1.00 0.00 O ATOM 1313 CB SER A 86 0.055 -17.728 -36.206 1.00 0.00 C ATOM 1314 OG SER A 86 -0.752 -18.183 -37.278 1.00 0.00 O ATOM 0 H SER A 86 2.178 -15.443 -35.840 1.00 0.00 H new ATOM 0 HA SER A 86 0.515 -15.916 -37.270 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.027 -18.220 -36.249 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.404 -18.012 -35.259 1.00 0.00 H new ATOM 0 HG SER A 86 -1.586 -17.669 -37.301 1.00 0.00 H new ATOM 1320 N LEU A 87 -0.867 -14.094 -35.651 1.00 0.00 N ATOM 1321 CA LEU A 87 -1.925 -13.192 -35.156 1.00 0.00 C ATOM 1322 C LEU A 87 -3.166 -13.164 -36.064 1.00 0.00 C ATOM 1323 O LEU A 87 -3.073 -12.910 -37.262 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.350 -11.762 -34.942 1.00 0.00 C ATOM 1325 CG LEU A 87 -0.655 -11.529 -33.567 1.00 0.00 C ATOM 1326 CD1 LEU A 87 0.035 -10.158 -33.499 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.672 -11.693 -32.417 1.00 0.00 C ATOM 0 H LEU A 87 0.030 -13.626 -35.780 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.264 -13.588 -34.199 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.632 -11.553 -35.735 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.161 -11.041 -35.049 1.00 0.00 H new ATOM 0 HG LEU A 87 0.123 -12.284 -33.456 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.507 -10.036 -32.524 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.793 -10.093 -34.280 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.705 -9.371 -33.645 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.172 -11.527 -31.463 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.476 -10.967 -32.536 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.087 -12.701 -32.439 1.00 0.00 H new ATOM 1339 N LYS A 88 -4.311 -13.450 -35.451 1.00 0.00 N ATOM 1340 CA LYS A 88 -5.614 -13.486 -36.108 1.00 0.00 C ATOM 1341 C LYS A 88 -6.255 -12.087 -36.013 1.00 0.00 C ATOM 1342 O LYS A 88 -6.046 -11.437 -35.003 1.00 0.00 O ATOM 1343 CB LYS A 88 -6.475 -14.568 -35.401 1.00 0.00 C ATOM 1344 CG LYS A 88 -7.756 -14.962 -36.156 1.00 0.00 C ATOM 1345 CD LYS A 88 -8.442 -16.197 -35.550 1.00 0.00 C ATOM 1346 CE LYS A 88 -9.710 -16.606 -36.315 1.00 0.00 C ATOM 1347 NZ LYS A 88 -10.372 -17.762 -35.671 1.00 0.00 N ATOM 0 H LYS A 88 -4.359 -13.669 -34.456 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.529 -13.743 -37.164 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.866 -15.460 -35.256 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.750 -14.205 -34.411 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.452 -14.123 -36.146 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.512 -15.162 -37.199 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.741 -17.031 -35.545 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.700 -15.991 -34.511 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.401 -15.764 -36.356 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.452 -16.857 -37.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.225 -18.017 -36.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.719 -18.571 -35.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.638 -17.512 -34.697 1.00 0.00 H new ATOM 1361 N PRO A 89 -6.997 -11.588 -37.073 1.00 0.00 N ATOM 1362 CA PRO A 89 -7.745 -10.286 -37.069 1.00 0.00 C ATOM 1363 C PRO A 89 -8.383 -9.863 -35.710 1.00 0.00 C ATOM 1364 O PRO A 89 -8.319 -8.692 -35.317 1.00 0.00 O ATOM 1365 CB PRO A 89 -8.845 -10.558 -38.121 1.00 0.00 C ATOM 1366 CG PRO A 89 -8.182 -11.430 -39.148 1.00 0.00 C ATOM 1367 CD PRO A 89 -7.108 -12.233 -38.418 1.00 0.00 C ATOM 0 HA PRO A 89 -7.073 -9.452 -37.272 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.706 -11.056 -37.675 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.208 -9.630 -38.564 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.908 -12.093 -39.618 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.741 -10.826 -39.941 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.389 -13.283 -38.331 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.158 -12.200 -38.952 1.00 0.00 H new ATOM 1375 N GLU A 90 -8.954 -10.853 -35.001 1.00 0.00 N ATOM 1376 CA GLU A 90 -9.727 -10.653 -33.744 1.00 0.00 C ATOM 1377 C GLU A 90 -8.841 -10.329 -32.510 1.00 0.00 C ATOM 1378 O GLU A 90 -9.364 -9.925 -31.468 1.00 0.00 O ATOM 1379 CB GLU A 90 -10.582 -11.918 -33.467 1.00 0.00 C ATOM 1380 CG GLU A 90 -9.777 -13.235 -33.377 1.00 0.00 C ATOM 1381 CD GLU A 90 -10.657 -14.481 -33.155 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -10.570 -15.111 -32.082 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -11.445 -14.826 -34.059 1.00 0.00 O ATOM 0 H GLU A 90 -8.895 -11.832 -35.282 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.362 -9.780 -33.896 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.125 -11.775 -32.533 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.327 -12.017 -34.257 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.203 -13.364 -34.295 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.059 -13.157 -32.561 1.00 0.00 H new ATOM 1390 N ASP A 91 -7.511 -10.506 -32.640 1.00 0.00 N ATOM 1391 CA ASP A 91 -6.538 -10.245 -31.551 1.00 0.00 C ATOM 1392 C ASP A 91 -6.188 -8.739 -31.415 1.00 0.00 C ATOM 1393 O ASP A 91 -5.411 -8.363 -30.523 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.248 -11.091 -31.776 1.00 0.00 C ATOM 1395 CG ASP A 91 -5.479 -12.626 -31.803 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -4.668 -13.357 -32.416 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -6.457 -13.116 -31.194 1.00 0.00 O ATOM 0 H ASP A 91 -7.077 -10.834 -33.503 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.008 -10.543 -30.614 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.791 -10.789 -32.718 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.534 -10.858 -30.986 1.00 0.00 H new ATOM 1402 N THR A 92 -6.751 -7.891 -32.312 1.00 0.00 N ATOM 1403 CA THR A 92 -6.632 -6.417 -32.224 1.00 0.00 C ATOM 1404 C THR A 92 -7.314 -5.901 -30.932 1.00 0.00 C ATOM 1405 O THR A 92 -8.553 -5.888 -30.847 1.00 0.00 O ATOM 1406 CB THR A 92 -7.286 -5.716 -33.467 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.677 -6.183 -34.677 1.00 0.00 O ATOM 1408 CG2 THR A 92 -7.167 -4.179 -33.410 1.00 0.00 C ATOM 0 H THR A 92 -7.297 -8.210 -33.112 1.00 0.00 H new ATOM 0 HA THR A 92 -5.570 -6.173 -32.204 1.00 0.00 H new ATOM 0 HB THR A 92 -8.345 -5.974 -33.449 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.130 -6.998 -34.978 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.635 -3.745 -34.293 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.667 -3.808 -32.515 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.115 -3.896 -33.381 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.489 -5.500 -29.938 1.00 0.00 N ATOM 1417 CA ALA A 93 -6.967 -5.072 -28.603 1.00 0.00 C ATOM 1418 C ALA A 93 -5.812 -4.514 -27.757 1.00 0.00 C ATOM 1419 O ALA A 93 -4.642 -4.755 -28.053 1.00 0.00 O ATOM 1420 CB ALA A 93 -7.654 -6.238 -27.868 1.00 0.00 C ATOM 0 H ALA A 93 -5.475 -5.464 -30.038 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.698 -4.277 -28.750 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.997 -5.900 -26.890 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.507 -6.584 -28.452 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.945 -7.056 -27.741 1.00 0.00 H new ATOM 1426 N VAL A 94 -6.153 -3.725 -26.717 1.00 0.00 N ATOM 1427 CA VAL A 94 -5.165 -3.222 -25.747 1.00 0.00 C ATOM 1428 C VAL A 94 -4.891 -4.297 -24.666 1.00 0.00 C ATOM 1429 O VAL A 94 -5.795 -4.692 -23.919 1.00 0.00 O ATOM 1430 CB VAL A 94 -5.593 -1.827 -25.116 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -6.972 -1.868 -24.424 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -4.512 -1.285 -24.150 1.00 0.00 C ATOM 0 H VAL A 94 -7.109 -3.423 -26.529 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.234 -3.029 -26.280 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.685 -1.138 -25.956 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.203 -0.884 -24.015 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.735 -2.148 -25.150 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.953 -2.601 -23.617 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.838 -0.330 -23.738 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.359 -1.997 -23.339 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.577 -1.145 -24.692 1.00 0.00 H new ATOM 1442 N TYR A 95 -3.643 -4.808 -24.648 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.183 -5.824 -23.682 1.00 0.00 C ATOM 1444 C TYR A 95 -2.661 -5.153 -22.410 1.00 0.00 C ATOM 1445 O TYR A 95 -1.648 -4.452 -22.428 1.00 0.00 O ATOM 1446 CB TYR A 95 -2.065 -6.718 -24.294 1.00 0.00 C ATOM 1447 CG TYR A 95 -2.568 -7.752 -25.309 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -3.030 -7.360 -26.564 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -2.574 -9.121 -25.010 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -3.478 -8.288 -27.477 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -3.024 -10.047 -25.929 1.00 0.00 C ATOM 1452 CZ TYR A 95 -3.467 -9.620 -27.162 1.00 0.00 C ATOM 1453 OH TYR A 95 -3.910 -10.529 -28.082 1.00 0.00 O ATOM 0 H TYR A 95 -2.921 -4.524 -25.310 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.037 -6.455 -23.435 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.329 -6.077 -24.780 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.550 -7.239 -23.487 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.037 -6.312 -26.824 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.221 -9.456 -24.046 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.838 -7.965 -28.442 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.029 -11.099 -25.684 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.143 -10.978 -28.494 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.378 -5.383 -21.317 1.00 0.00 N ATOM 1464 CA ASN A 96 -2.976 -4.983 -19.975 1.00 0.00 C ATOM 1465 C ASN A 96 -2.565 -6.240 -19.199 1.00 0.00 C ATOM 1466 O ASN A 96 -3.339 -7.203 -19.122 1.00 0.00 O ATOM 1467 CB ASN A 96 -4.155 -4.256 -19.279 1.00 0.00 C ATOM 1468 CG ASN A 96 -3.869 -3.899 -17.823 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -4.178 -4.662 -16.914 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -3.277 -2.742 -17.592 1.00 0.00 N ATOM 0 H ASN A 96 -4.277 -5.865 -21.340 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.131 -4.295 -20.012 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -4.387 -3.345 -19.830 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.041 -4.890 -19.323 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.064 -2.460 -16.635 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.033 -2.130 -18.370 1.00 0.00 H new ATOM 1477 N CYS A 97 -1.354 -6.226 -18.633 1.00 0.00 N ATOM 1478 CA CYS A 97 -0.871 -7.300 -17.757 1.00 0.00 C ATOM 1479 C CYS A 97 -1.360 -7.020 -16.332 1.00 0.00 C ATOM 1480 O CYS A 97 -1.437 -5.858 -15.917 1.00 0.00 O ATOM 1481 CB CYS A 97 0.675 -7.391 -17.798 1.00 0.00 C ATOM 1482 SG CYS A 97 1.370 -8.766 -16.855 1.00 0.00 S ATOM 0 H CYS A 97 -0.681 -5.471 -18.768 1.00 0.00 H new ATOM 0 HA CYS A 97 -1.262 -8.258 -18.100 1.00 0.00 H new ATOM 0 HB2 CYS A 97 0.994 -7.482 -18.836 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.091 -6.459 -17.417 1.00 0.00 H new ATOM 0 HG CYS A 97 1.670 -9.739 -17.663 1.00 0.00 H new ATOM 1488 N ALA A 98 -1.698 -8.082 -15.600 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.243 -8.001 -14.234 1.00 0.00 C ATOM 1490 C ALA A 98 -1.646 -9.112 -13.368 1.00 0.00 C ATOM 1491 O ALA A 98 -1.162 -10.109 -13.894 1.00 0.00 O ATOM 1492 CB ALA A 98 -3.783 -8.088 -14.266 1.00 0.00 C ATOM 0 H ALA A 98 -1.602 -9.039 -15.939 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.970 -7.041 -13.796 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.172 -8.027 -13.250 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.182 -7.264 -14.857 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.085 -9.035 -14.714 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.675 -8.940 -12.037 1.00 0.00 N ATOM 1499 CA ALA A 99 -1.130 -9.929 -11.087 1.00 0.00 C ATOM 1500 C ALA A 99 -2.103 -10.157 -9.924 1.00 0.00 C ATOM 1501 O ALA A 99 -2.742 -9.221 -9.433 1.00 0.00 O ATOM 1502 CB ALA A 99 0.242 -9.492 -10.559 1.00 0.00 C ATOM 0 H ALA A 99 -2.075 -8.116 -11.588 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.003 -10.870 -11.622 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.619 -10.240 -9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.937 -9.391 -11.392 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.147 -8.534 -10.047 1.00 0.00 H new ATOM 1508 N GLY A 100 -2.180 -11.419 -9.506 1.00 0.00 N ATOM 1509 CA GLY A 100 -3.063 -11.886 -8.446 1.00 0.00 C ATOM 1510 C GLY A 100 -3.162 -13.402 -8.498 1.00 0.00 C ATOM 1511 O GLY A 100 -2.729 -14.008 -9.477 1.00 0.00 O ATOM 0 H GLY A 100 -1.612 -12.164 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.682 -11.569 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.052 -11.442 -8.561 1.00 0.00 H new ATOM 1664 N ASP A 111 -5.189 -8.068 -8.128 1.00 0.00 N ATOM 1665 CA ASP A 111 -4.974 -6.933 -7.209 1.00 0.00 C ATOM 1666 C ASP A 111 -4.066 -5.864 -7.839 1.00 0.00 C ATOM 1667 O ASP A 111 -4.115 -4.681 -7.476 1.00 0.00 O ATOM 1668 CB ASP A 111 -4.362 -7.468 -5.890 1.00 0.00 C ATOM 1669 CG ASP A 111 -4.227 -6.391 -4.798 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -5.256 -5.953 -4.263 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -3.097 -5.995 -4.458 1.00 0.00 O ATOM 0 HA ASP A 111 -5.932 -6.455 -7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.983 -8.281 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.378 -7.889 -6.099 1.00 0.00 H new ATOM 1676 N TYR A 112 -3.239 -6.310 -8.785 1.00 0.00 N ATOM 1677 CA TYR A 112 -2.260 -5.470 -9.492 1.00 0.00 C ATOM 1678 C TYR A 112 -2.584 -5.466 -10.988 1.00 0.00 C ATOM 1679 O TYR A 112 -3.220 -6.406 -11.483 1.00 0.00 O ATOM 1680 CB TYR A 112 -0.834 -6.036 -9.261 1.00 0.00 C ATOM 1681 CG TYR A 112 -0.529 -6.321 -7.790 1.00 0.00 C ATOM 1682 CD1 TYR A 112 -0.665 -7.602 -7.252 1.00 0.00 C ATOM 1683 CD2 TYR A 112 -0.136 -5.299 -6.933 1.00 0.00 C ATOM 1684 CE1 TYR A 112 -0.426 -7.841 -5.920 1.00 0.00 C ATOM 1685 CE2 TYR A 112 0.112 -5.535 -5.608 1.00 0.00 C ATOM 1686 CZ TYR A 112 -0.036 -6.806 -5.101 1.00 0.00 C ATOM 1687 OH TYR A 112 0.206 -7.039 -3.762 1.00 0.00 O ATOM 0 H TYR A 112 -3.227 -7.283 -9.090 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.306 -4.450 -9.112 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.718 -6.956 -9.834 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.102 -5.326 -9.646 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -0.963 -8.419 -7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.024 -4.297 -7.321 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.544 -8.836 -5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 112 0.423 -4.727 -4.962 1.00 0.00 H new ATOM 0 HH TYR A 112 0.369 -7.995 -3.621 1.00 0.00 H new ATOM 1697 N TRP A 113 -2.145 -4.407 -11.682 1.00 0.00 N ATOM 1698 CA TRP A 113 -2.180 -4.307 -13.149 1.00 0.00 C ATOM 1699 C TRP A 113 -1.292 -3.148 -13.610 1.00 0.00 C ATOM 1700 O TRP A 113 -0.773 -2.379 -12.785 1.00 0.00 O ATOM 1701 CB TRP A 113 -3.634 -4.179 -13.712 1.00 0.00 C ATOM 1702 CG TRP A 113 -4.459 -3.047 -13.143 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -4.325 -1.713 -13.400 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -5.563 -3.166 -12.239 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -5.256 -1.001 -12.698 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -6.033 -1.868 -11.982 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -6.193 -4.250 -11.618 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -7.105 -1.621 -11.130 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -7.261 -4.004 -10.778 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -7.707 -2.700 -10.542 1.00 0.00 C ATOM 0 H TRP A 113 -1.749 -3.581 -11.233 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.786 -5.239 -13.556 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.576 -4.054 -14.793 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.159 -5.116 -13.527 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.589 -1.282 -14.063 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.355 0.014 -12.707 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.851 -5.259 -11.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.449 -0.615 -10.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.760 -4.832 -10.296 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.546 -2.541 -9.881 1.00 0.00 H new ATOM 1721 N GLY A 114 -1.118 -3.041 -14.933 1.00 0.00 N ATOM 1722 CA GLY A 114 -0.313 -1.983 -15.528 1.00 0.00 C ATOM 1723 C GLY A 114 -1.137 -0.921 -16.221 1.00 0.00 C ATOM 1724 O GLY A 114 -2.280 -0.656 -15.833 1.00 0.00 O ATOM 0 H GLY A 114 -1.530 -3.682 -15.611 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.291 -1.515 -14.751 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.378 -2.423 -16.247 1.00 0.00 H new ATOM 1728 N GLN A 115 -0.544 -0.329 -17.259 1.00 0.00 N ATOM 1729 CA GLN A 115 -1.168 0.703 -18.103 1.00 0.00 C ATOM 1730 C GLN A 115 -2.006 0.017 -19.204 1.00 0.00 C ATOM 1731 O GLN A 115 -3.236 0.101 -19.213 1.00 0.00 O ATOM 1732 CB GLN A 115 -0.043 1.577 -18.735 1.00 0.00 C ATOM 1733 CG GLN A 115 0.986 2.117 -17.717 1.00 0.00 C ATOM 1734 CD GLN A 115 2.215 2.741 -18.381 1.00 0.00 C ATOM 1735 OE1 GLN A 115 3.217 1.924 -18.670 1.00 0.00 O flip ATOM 1736 NE2 GLN A 115 2.250 3.939 -18.652 1.00 0.00 N flip ATOM 0 H GLN A 115 0.408 -0.557 -17.547 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.825 1.339 -17.510 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.481 0.987 -19.486 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.501 2.419 -19.254 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.505 2.862 -17.083 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.306 1.303 -17.066 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.460 4.539 -18.415 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.069 4.334 -19.114 1.00 0.00 H new ATOM 1745 N GLY A 116 -1.303 -0.717 -20.088 1.00 0.00 N ATOM 1746 CA GLY A 116 -1.892 -1.347 -21.272 1.00 0.00 C ATOM 1747 C GLY A 116 -1.216 -0.863 -22.554 1.00 0.00 C ATOM 1748 O GLY A 116 -0.869 0.320 -22.668 1.00 0.00 O ATOM 0 H GLY A 116 -0.302 -0.887 -19.994 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.797 -2.430 -21.195 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.958 -1.123 -21.314 1.00 0.00 H new ATOM 1752 N THR A 117 -1.034 -1.778 -23.526 1.00 0.00 N ATOM 1753 CA THR A 117 -0.432 -1.477 -24.833 1.00 0.00 C ATOM 1754 C THR A 117 -1.418 -1.859 -25.961 1.00 0.00 C ATOM 1755 O THR A 117 -1.828 -3.021 -26.085 1.00 0.00 O ATOM 1756 CB THR A 117 0.948 -2.206 -25.003 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.524 -1.870 -26.268 1.00 0.00 O ATOM 1758 CG2 THR A 117 0.860 -3.748 -24.858 1.00 0.00 C ATOM 0 H THR A 117 -1.305 -2.756 -23.422 1.00 0.00 H new ATOM 0 HA THR A 117 -0.235 -0.407 -24.893 1.00 0.00 H new ATOM 0 HB THR A 117 1.583 -1.855 -24.190 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.497 -1.800 -26.176 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.851 -4.183 -24.988 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.480 -3.999 -23.868 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.187 -4.147 -25.617 1.00 0.00 H new ATOM 1766 N GLN A 118 -1.844 -0.853 -26.751 1.00 0.00 N ATOM 1767 CA GLN A 118 -2.816 -1.042 -27.840 1.00 0.00 C ATOM 1768 C GLN A 118 -2.116 -1.656 -29.063 1.00 0.00 C ATOM 1769 O GLN A 118 -1.322 -0.992 -29.738 1.00 0.00 O ATOM 1770 CB GLN A 118 -3.503 0.310 -28.187 1.00 0.00 C ATOM 1771 CG GLN A 118 -4.522 0.264 -29.352 1.00 0.00 C ATOM 1772 CD GLN A 118 -5.682 -0.726 -29.143 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -6.704 -0.388 -28.540 1.00 0.00 O ATOM 1774 NE2 GLN A 118 -5.543 -1.947 -29.652 1.00 0.00 N ATOM 0 H GLN A 118 -1.523 0.110 -26.650 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.595 -1.733 -27.518 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.013 0.677 -27.296 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.729 1.037 -28.433 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.934 1.262 -29.498 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.995 -0.000 -30.269 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.687 -2.199 -30.146 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.292 -2.631 -29.548 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.385 -2.954 -29.304 1.00 0.00 N ATOM 1784 CA VAL A 119 -1.850 -3.695 -30.461 1.00 0.00 C ATOM 1785 C VAL A 119 -2.941 -3.804 -31.544 1.00 0.00 C ATOM 1786 O VAL A 119 -4.147 -3.871 -31.232 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.316 -5.140 -30.070 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -0.472 -5.098 -28.764 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -2.451 -6.199 -29.984 1.00 0.00 C ATOM 0 H VAL A 119 -2.981 -3.519 -28.699 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.994 -3.139 -30.843 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.662 -5.459 -30.881 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.122 -6.102 -28.525 1.00 0.00 H new ATOM 0 HG12 VAL A 119 0.385 -4.439 -28.906 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.087 -4.723 -27.946 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.027 -7.166 -29.714 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.175 -5.896 -29.227 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.948 -6.279 -30.951 1.00 0.00 H new ATOM 1799 N THR A 120 -2.519 -3.795 -32.806 1.00 0.00 N ATOM 1800 CA THR A 120 -3.414 -3.948 -33.960 1.00 0.00 C ATOM 1801 C THR A 120 -2.840 -4.992 -34.924 1.00 0.00 C ATOM 1802 O THR A 120 -1.644 -4.993 -35.207 1.00 0.00 O ATOM 1803 CB THR A 120 -3.616 -2.572 -34.686 1.00 0.00 C ATOM 1804 OG1 THR A 120 -4.080 -1.600 -33.736 1.00 0.00 O ATOM 1805 CG2 THR A 120 -4.627 -2.655 -35.844 1.00 0.00 C ATOM 0 H THR A 120 -1.539 -3.681 -33.063 1.00 0.00 H new ATOM 0 HA THR A 120 -4.389 -4.290 -33.611 1.00 0.00 H new ATOM 0 HB THR A 120 -2.653 -2.284 -35.107 1.00 0.00 H new ATOM 0 HG1 THR A 120 -4.206 -0.738 -34.185 1.00 0.00 H new ATOM 0 HG21 THR A 120 -4.728 -1.675 -36.310 1.00 0.00 H new ATOM 0 HG22 THR A 120 -4.275 -3.374 -36.584 1.00 0.00 H new ATOM 0 HG23 THR A 120 -5.595 -2.975 -35.459 1.00 0.00 H new ATOM 1813 N VAL A 121 -3.692 -5.908 -35.392 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.329 -6.891 -36.417 1.00 0.00 C ATOM 1815 C VAL A 121 -4.149 -6.613 -37.696 1.00 0.00 C ATOM 1816 O VAL A 121 -5.358 -6.849 -37.743 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.475 -8.375 -35.900 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -4.807 -8.609 -35.159 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.268 -9.404 -37.049 1.00 0.00 C ATOM 0 H VAL A 121 -4.656 -5.989 -35.070 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.272 -6.782 -36.658 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.680 -8.534 -35.171 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.859 -9.645 -34.823 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.865 -7.945 -34.297 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.639 -8.403 -35.832 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.376 -10.415 -36.656 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.013 -9.236 -37.827 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.270 -9.283 -37.470 1.00 0.00 H new ATOM 1829 N SER A 122 -3.460 -6.044 -38.702 1.00 0.00 N ATOM 1830 CA SER A 122 -4.026 -5.693 -40.009 1.00 0.00 C ATOM 1831 C SER A 122 -4.591 -6.944 -40.714 1.00 0.00 C ATOM 1832 O SER A 122 -3.836 -7.838 -41.115 1.00 0.00 O ATOM 1833 CB SER A 122 -2.926 -5.023 -40.879 1.00 0.00 C ATOM 1834 OG SER A 122 -3.402 -4.656 -42.167 1.00 0.00 O ATOM 0 H SER A 122 -2.470 -5.812 -38.622 1.00 0.00 H new ATOM 0 HA SER A 122 -4.849 -4.993 -39.867 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.552 -4.137 -40.367 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.085 -5.708 -40.987 1.00 0.00 H new ATOM 0 HG SER A 122 -2.677 -4.238 -42.677 1.00 0.00 H new ATOM 1840 N SER A 123 -5.923 -6.983 -40.863 1.00 0.00 N ATOM 1841 CA SER A 123 -6.645 -8.104 -41.475 1.00 0.00 C ATOM 1842 C SER A 123 -6.586 -8.013 -43.013 1.00 0.00 C ATOM 1843 O SER A 123 -7.186 -7.108 -43.615 1.00 0.00 O ATOM 1844 CB SER A 123 -8.113 -8.112 -40.963 1.00 0.00 C ATOM 1845 OG SER A 123 -8.667 -6.809 -40.967 1.00 0.00 O ATOM 0 H SER A 123 -6.535 -6.227 -40.557 1.00 0.00 H new ATOM 0 HA SER A 123 -6.170 -9.042 -41.187 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.716 -8.768 -41.591 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.146 -8.520 -39.953 1.00 0.00 H new ATOM 0 HG SER A 123 -8.444 -6.361 -41.810 1.00 0.00 H new