USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 Single : A 1 GLY N :NH3+ 137:sc= 0.03 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.104 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc=-0.000821 X(o=-0.00082,f=-0.14) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 27:sc= 0.771 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -138:sc= 0.0818 (180deg=-2.85!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -1.02 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 134:sc= 0.212 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0135 X(o=-0.014,f=-0.17) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 49 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.28) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0654 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -136:sc= 0.299 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.175 K(o=-0.17,f=-0.72) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 150:sc= -0.234 USER MOD Single : A 66 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.00064) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -9.25! C(o=-9.2!,f=-11!) USER MOD Single : A 74 THR OG1 : rot -84:sc= 0.144 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0298) USER MOD Single : A 81 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.72) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 51:sc= 0.323 USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= -2.8 (180deg=-3.67!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.44) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.033 -43.064 8.375 1.00 0.00 N ATOM 2 CA GLY A 1 -33.499 -42.337 9.560 1.00 0.00 C ATOM 3 C GLY A 1 -33.660 -40.832 9.439 1.00 0.00 C ATOM 4 O GLY A 1 -33.641 -40.292 8.334 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.370 -43.817 8.102 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.955 -43.483 8.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.147 -42.400 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.013 -42.683 10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.443 -42.578 9.685 1.00 0.00 H new ATOM 10 N PRO A 2 -33.823 -40.123 10.570 1.00 0.00 N ATOM 11 CA PRO A 2 -33.989 -38.667 10.572 1.00 0.00 C ATOM 12 C PRO A 2 -32.693 -37.934 10.243 1.00 0.00 C ATOM 13 O PRO A 2 -32.685 -36.992 9.451 1.00 0.00 O ATOM 14 CB PRO A 2 -34.426 -38.362 12.005 1.00 0.00 C ATOM 15 CG PRO A 2 -33.849 -39.469 12.819 1.00 0.00 C ATOM 16 CD PRO A 2 -33.859 -40.686 11.934 1.00 0.00 C ATOM 0 HA PRO A 2 -34.701 -38.338 9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -34.054 -37.392 12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -35.512 -38.332 12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -32.835 -39.229 13.140 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -34.438 -39.638 13.721 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -32.999 -41.328 12.126 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -34.751 -41.291 12.095 1.00 0.00 H new ATOM 24 N GLY A 3 -31.598 -38.374 10.857 1.00 0.00 N ATOM 25 CA GLY A 3 -30.312 -37.747 10.616 1.00 0.00 C ATOM 26 C GLY A 3 -30.206 -36.377 11.257 1.00 0.00 C ATOM 27 O GLY A 3 -30.267 -35.357 10.569 1.00 0.00 O ATOM 0 H GLY A 3 -31.579 -39.152 11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -29.520 -38.388 11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -30.151 -37.656 9.542 1.00 0.00 H new ATOM 31 N SER A 4 -30.047 -36.355 12.575 1.00 0.00 N ATOM 32 CA SER A 4 -29.931 -35.101 13.310 1.00 0.00 C ATOM 33 C SER A 4 -28.607 -34.412 13.005 1.00 0.00 C ATOM 34 O SER A 4 -28.573 -33.224 12.683 1.00 0.00 O ATOM 35 CB SER A 4 -30.052 -35.355 14.814 1.00 0.00 C ATOM 36 OG SER A 4 -29.633 -36.668 15.144 1.00 0.00 O ATOM 0 H SER A 4 -29.995 -37.191 13.157 1.00 0.00 H new ATOM 0 HA SER A 4 -30.742 -34.446 12.992 1.00 0.00 H new ATOM 0 HB2 SER A 4 -29.448 -34.629 15.358 1.00 0.00 H new ATOM 0 HB3 SER A 4 -31.085 -35.210 15.129 1.00 0.00 H new ATOM 0 HG SER A 4 -29.718 -36.805 16.111 1.00 0.00 H new ATOM 42 N LEU A 5 -27.518 -35.165 13.109 1.00 0.00 N ATOM 43 CA LEU A 5 -26.188 -34.628 12.845 1.00 0.00 C ATOM 44 C LEU A 5 -25.969 -34.428 11.349 1.00 0.00 C ATOM 45 O LEU A 5 -26.047 -35.377 10.568 1.00 0.00 O ATOM 46 CB LEU A 5 -25.116 -35.563 13.409 1.00 0.00 C ATOM 47 CG LEU A 5 -24.994 -35.559 14.935 1.00 0.00 C ATOM 48 CD1 LEU A 5 -25.782 -36.713 15.538 1.00 0.00 C ATOM 49 CD2 LEU A 5 -23.533 -35.635 15.353 1.00 0.00 C ATOM 0 H LEU A 5 -27.530 -36.150 13.374 1.00 0.00 H new ATOM 0 HA LEU A 5 -26.111 -33.659 13.338 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -25.331 -36.579 13.079 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -24.152 -35.287 12.981 1.00 0.00 H new ATOM 0 HG LEU A 5 -25.412 -34.625 15.310 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -25.683 -36.693 16.623 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -26.833 -36.616 15.268 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -25.395 -37.657 15.155 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -23.465 -35.631 16.441 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -23.091 -36.553 14.965 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -22.995 -34.776 14.953 1.00 0.00 H new ATOM 61 N SER A 6 -25.694 -33.190 10.955 1.00 0.00 N ATOM 62 CA SER A 6 -25.463 -32.867 9.551 1.00 0.00 C ATOM 63 C SER A 6 -24.110 -33.399 9.088 1.00 0.00 C ATOM 64 O SER A 6 -24.040 -34.372 8.339 1.00 0.00 O ATOM 65 CB SER A 6 -25.532 -31.353 9.336 1.00 0.00 C ATOM 66 OG SER A 6 -26.797 -30.970 8.820 1.00 0.00 O ATOM 0 H SER A 6 -25.625 -32.393 11.588 1.00 0.00 H new ATOM 0 HA SER A 6 -26.243 -33.345 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.350 -30.839 10.280 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.746 -31.044 8.648 1.00 0.00 H new ATOM 0 HG SER A 6 -26.818 -29.999 8.693 1.00 0.00 H new ATOM 72 N ASN A 7 -23.040 -32.753 9.539 1.00 0.00 N ATOM 73 CA ASN A 7 -21.689 -33.162 9.172 1.00 0.00 C ATOM 74 C ASN A 7 -20.817 -33.332 10.410 1.00 0.00 C ATOM 75 O ASN A 7 -20.416 -34.445 10.751 1.00 0.00 O ATOM 76 CB ASN A 7 -21.062 -32.133 8.229 1.00 0.00 C ATOM 77 CG ASN A 7 -21.688 -32.157 6.849 1.00 0.00 C ATOM 78 OD1 ASN A 7 -21.400 -33.039 6.039 1.00 0.00 O ATOM 79 ND2 ASN A 7 -22.548 -31.186 6.572 1.00 0.00 N ATOM 0 H ASN A 7 -23.082 -31.944 10.159 1.00 0.00 H new ATOM 0 HA ASN A 7 -21.753 -34.123 8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -21.172 -31.137 8.658 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -19.993 -32.327 8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -23.000 -31.150 5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -22.758 -30.475 7.273 1.00 0.00 H new ATOM 86 N PHE A 8 -20.526 -32.222 11.079 1.00 0.00 N ATOM 87 CA PHE A 8 -19.700 -32.248 12.280 1.00 0.00 C ATOM 88 C PHE A 8 -20.311 -31.384 13.380 1.00 0.00 C ATOM 89 O PHE A 8 -21.064 -30.451 13.103 1.00 0.00 O ATOM 90 CB PHE A 8 -18.285 -31.764 11.963 1.00 0.00 C ATOM 91 CG PHE A 8 -18.241 -30.375 11.394 1.00 0.00 C ATOM 92 CD1 PHE A 8 -18.372 -30.165 10.030 1.00 0.00 C ATOM 93 CD2 PHE A 8 -18.066 -29.277 12.223 1.00 0.00 C ATOM 94 CE1 PHE A 8 -18.331 -28.888 9.504 1.00 0.00 C ATOM 95 CE2 PHE A 8 -18.025 -27.998 11.702 1.00 0.00 C ATOM 96 CZ PHE A 8 -18.157 -27.804 10.341 1.00 0.00 C ATOM 0 H PHE A 8 -20.850 -31.293 10.810 1.00 0.00 H new ATOM 0 HA PHE A 8 -19.653 -33.277 12.635 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -17.687 -31.794 12.874 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -17.824 -32.453 11.255 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -18.508 -31.010 9.371 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -17.961 -29.423 13.288 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -18.435 -28.738 8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -17.890 -27.151 12.358 1.00 0.00 H new ATOM 0 HZ PHE A 8 -18.124 -26.805 9.932 1.00 0.00 H new ATOM 106 N ALA A 9 -19.981 -31.702 14.626 1.00 0.00 N ATOM 107 CA ALA A 9 -20.497 -30.955 15.767 1.00 0.00 C ATOM 108 C ALA A 9 -19.391 -30.143 16.436 1.00 0.00 C ATOM 109 O ALA A 9 -18.207 -30.407 16.237 1.00 0.00 O ATOM 110 CB ALA A 9 -21.140 -31.903 16.769 1.00 0.00 C ATOM 0 H ALA A 9 -19.359 -32.472 14.872 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.254 -30.259 15.405 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.521 -31.333 17.616 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.962 -32.435 16.290 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.398 -32.621 17.119 1.00 0.00 H new ATOM 116 N ASN A 10 -19.789 -29.154 17.230 1.00 0.00 N ATOM 117 CA ASN A 10 -18.833 -28.302 17.926 1.00 0.00 C ATOM 118 C ASN A 10 -18.525 -28.854 19.316 1.00 0.00 C ATOM 119 O ASN A 10 -19.295 -28.658 20.256 1.00 0.00 O ATOM 120 CB ASN A 10 -19.374 -26.877 18.039 1.00 0.00 C ATOM 121 CG ASN A 10 -18.275 -25.835 17.978 1.00 0.00 C ATOM 122 OD1 ASN A 10 -17.497 -25.792 17.024 1.00 0.00 O ATOM 123 ND2 ASN A 10 -18.205 -24.987 18.998 1.00 0.00 N ATOM 0 H ASN A 10 -20.767 -28.923 17.407 1.00 0.00 H new ATOM 0 HA ASN A 10 -17.910 -28.286 17.347 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -20.087 -26.697 17.234 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -19.919 -26.772 18.977 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.486 -24.264 19.012 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -18.870 -25.059 19.768 1.00 0.00 H new ATOM 130 N VAL A 11 -17.395 -29.543 19.436 1.00 0.00 N ATOM 131 CA VAL A 11 -16.985 -30.120 20.710 1.00 0.00 C ATOM 132 C VAL A 11 -15.477 -30.001 20.908 1.00 0.00 C ATOM 133 O VAL A 11 -14.693 -30.445 20.068 1.00 0.00 O ATOM 134 CB VAL A 11 -17.387 -31.604 20.809 1.00 0.00 C ATOM 135 CG1 VAL A 11 -18.898 -31.742 20.920 1.00 0.00 C ATOM 136 CG2 VAL A 11 -16.856 -32.384 19.614 1.00 0.00 C ATOM 0 H VAL A 11 -16.748 -29.715 18.667 1.00 0.00 H new ATOM 0 HA VAL A 11 -17.497 -29.558 21.491 1.00 0.00 H new ATOM 0 HB VAL A 11 -16.941 -32.023 21.711 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -19.163 -32.797 20.989 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.246 -31.221 21.812 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.369 -31.307 20.039 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.150 -33.430 19.702 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.268 -31.967 18.695 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.769 -32.314 19.588 1.00 0.00 H new ATOM 146 N GLY A 12 -15.078 -29.398 22.022 1.00 0.00 N ATOM 147 CA GLY A 12 -13.666 -29.231 22.310 1.00 0.00 C ATOM 148 C GLY A 12 -13.419 -28.331 23.505 1.00 0.00 C ATOM 149 O GLY A 12 -14.336 -27.676 23.997 1.00 0.00 O ATOM 0 H GLY A 12 -15.707 -29.022 22.731 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.219 -30.207 22.496 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.167 -28.813 21.435 1.00 0.00 H new ATOM 153 N VAL A 13 -12.176 -28.302 23.973 1.00 0.00 N ATOM 154 CA VAL A 13 -11.810 -27.476 25.119 1.00 0.00 C ATOM 155 C VAL A 13 -11.381 -26.083 24.675 1.00 0.00 C ATOM 156 O VAL A 13 -11.674 -25.090 25.342 1.00 0.00 O ATOM 157 CB VAL A 13 -10.670 -28.118 25.934 1.00 0.00 C ATOM 158 CG1 VAL A 13 -10.411 -27.326 27.207 1.00 0.00 C ATOM 159 CG2 VAL A 13 -10.993 -29.569 26.256 1.00 0.00 C ATOM 0 H VAL A 13 -11.405 -28.840 23.577 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.696 -27.397 25.749 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.762 -28.098 25.331 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.603 -27.795 27.769 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.129 -26.305 26.949 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.315 -27.310 27.816 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.176 -30.004 26.832 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.913 -29.616 26.839 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.122 -30.128 25.329 1.00 0.00 H new ATOM 169 N GLY A 14 -10.687 -26.014 23.543 1.00 0.00 N ATOM 170 CA GLY A 14 -10.230 -24.736 23.029 1.00 0.00 C ATOM 171 C GLY A 14 -8.754 -24.503 23.283 1.00 0.00 C ATOM 172 O GLY A 14 -7.902 -25.109 22.633 1.00 0.00 O ATOM 0 H GLY A 14 -10.433 -26.821 22.973 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.423 -24.689 21.957 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.806 -23.935 23.492 1.00 0.00 H new ATOM 176 N THR A 15 -8.451 -23.622 24.230 1.00 0.00 N ATOM 177 CA THR A 15 -7.068 -23.309 24.569 1.00 0.00 C ATOM 178 C THR A 15 -6.327 -22.742 23.361 1.00 0.00 C ATOM 179 O THR A 15 -6.759 -22.911 22.221 1.00 0.00 O ATOM 180 CB THR A 15 -6.349 -24.558 25.080 1.00 0.00 C ATOM 181 OG1 THR A 15 -7.197 -25.312 25.929 1.00 0.00 O ATOM 182 CG2 THR A 15 -5.085 -24.248 25.851 1.00 0.00 C ATOM 0 H THR A 15 -9.145 -23.112 24.777 1.00 0.00 H new ATOM 0 HA THR A 15 -7.076 -22.555 25.356 1.00 0.00 H new ATOM 0 HB THR A 15 -6.080 -25.123 24.187 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.720 -26.108 26.245 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.625 -25.178 26.185 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.389 -23.709 25.208 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.329 -23.633 26.717 1.00 0.00 H new ATOM 190 N SER A 16 -5.212 -22.068 23.620 1.00 0.00 N ATOM 191 CA SER A 16 -4.411 -21.476 22.555 1.00 0.00 C ATOM 192 C SER A 16 -3.115 -22.254 22.350 1.00 0.00 C ATOM 193 O SER A 16 -2.247 -22.273 23.222 1.00 0.00 O ATOM 194 CB SER A 16 -4.097 -20.014 22.877 1.00 0.00 C ATOM 195 OG SER A 16 -3.269 -19.912 24.024 1.00 0.00 O ATOM 0 H SER A 16 -4.842 -21.918 24.559 1.00 0.00 H new ATOM 0 HA SER A 16 -4.989 -21.522 21.632 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.602 -19.548 22.025 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.025 -19.467 23.044 1.00 0.00 H new ATOM 0 HG SER A 16 -2.740 -20.732 24.120 1.00 0.00 H new ATOM 201 N SER A 17 -2.993 -22.894 21.192 1.00 0.00 N ATOM 202 CA SER A 17 -1.803 -23.675 20.873 1.00 0.00 C ATOM 203 C SER A 17 -0.597 -22.765 20.666 1.00 0.00 C ATOM 204 O SER A 17 0.304 -22.710 21.503 1.00 0.00 O ATOM 205 CB SER A 17 -2.042 -24.520 19.619 1.00 0.00 C ATOM 206 OG SER A 17 -2.320 -23.700 18.498 1.00 0.00 O ATOM 0 H SER A 17 -3.703 -22.887 20.459 1.00 0.00 H new ATOM 0 HA SER A 17 -1.596 -24.337 21.714 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.164 -25.133 19.417 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.874 -25.203 19.790 1.00 0.00 H new ATOM 0 HG SER A 17 -2.467 -24.263 17.709 1.00 0.00 H new ATOM 212 N GLY A 18 -0.586 -22.052 19.543 1.00 0.00 N ATOM 213 CA GLY A 18 0.516 -21.156 19.246 1.00 0.00 C ATOM 214 C GLY A 18 0.185 -20.178 18.135 1.00 0.00 C ATOM 215 O GLY A 18 -0.214 -19.044 18.396 1.00 0.00 O ATOM 0 H GLY A 18 -1.320 -22.079 18.835 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.783 -20.602 20.146 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.390 -21.742 18.962 1.00 0.00 H new ATOM 219 N LYS A 19 0.353 -20.618 16.893 1.00 0.00 N ATOM 220 CA LYS A 19 0.071 -19.773 15.737 1.00 0.00 C ATOM 221 C LYS A 19 0.944 -18.522 15.753 1.00 0.00 C ATOM 222 O LYS A 19 1.594 -18.218 16.753 1.00 0.00 O ATOM 223 CB LYS A 19 -1.408 -19.379 15.716 1.00 0.00 C ATOM 224 CG LYS A 19 -2.257 -20.252 14.809 1.00 0.00 C ATOM 225 CD LYS A 19 -2.247 -19.743 13.377 1.00 0.00 C ATOM 226 CE LYS A 19 -2.621 -20.838 12.392 1.00 0.00 C ATOM 227 NZ LYS A 19 -1.424 -21.573 11.899 1.00 0.00 N ATOM 0 H LYS A 19 0.683 -21.555 16.660 1.00 0.00 H new ATOM 0 HA LYS A 19 0.300 -20.342 14.836 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.804 -19.431 16.730 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.494 -18.342 15.393 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.884 -21.276 14.835 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.281 -20.276 15.180 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.946 -18.912 13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.257 -19.357 13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.306 -21.538 12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.152 -20.400 11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.721 -22.311 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.782 -20.910 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.931 -22.012 12.703 1.00 0.00 H new ATOM 241 N GLN A 20 0.954 -17.801 14.637 1.00 0.00 N ATOM 242 CA GLN A 20 1.748 -16.583 14.521 1.00 0.00 C ATOM 243 C GLN A 20 0.978 -15.504 13.766 1.00 0.00 C ATOM 244 O GLN A 20 1.565 -14.708 13.032 1.00 0.00 O ATOM 245 CB GLN A 20 3.070 -16.875 13.809 1.00 0.00 C ATOM 246 CG GLN A 20 4.101 -15.771 13.966 1.00 0.00 C ATOM 247 CD GLN A 20 5.518 -16.305 14.058 1.00 0.00 C ATOM 248 OE1 GLN A 20 6.236 -16.367 13.060 1.00 0.00 O ATOM 249 NE2 GLN A 20 5.925 -16.696 15.260 1.00 0.00 N ATOM 0 H GLN A 20 0.422 -18.039 13.800 1.00 0.00 H new ATOM 0 HA GLN A 20 1.959 -16.219 15.527 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.484 -17.806 14.197 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.875 -17.031 12.748 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.028 -15.088 13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.876 -15.193 14.862 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.295 -16.626 16.059 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.867 -17.066 15.384 1.00 0.00 H new ATOM 258 N LYS A 21 -0.338 -15.483 13.952 1.00 0.00 N ATOM 259 CA LYS A 21 -1.188 -14.503 13.287 1.00 0.00 C ATOM 260 C LYS A 21 -2.114 -13.818 14.290 1.00 0.00 C ATOM 261 O LYS A 21 -3.216 -14.296 14.559 1.00 0.00 O ATOM 262 CB LYS A 21 -2.010 -15.173 12.184 1.00 0.00 C ATOM 263 CG LYS A 21 -1.804 -14.554 10.810 1.00 0.00 C ATOM 264 CD LYS A 21 -0.596 -15.150 10.105 1.00 0.00 C ATOM 265 CE LYS A 21 -1.007 -15.981 8.899 1.00 0.00 C ATOM 266 NZ LYS A 21 -1.088 -17.430 9.225 1.00 0.00 N ATOM 0 H LYS A 21 -0.838 -16.133 14.558 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.546 -13.745 12.838 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.749 -16.230 12.140 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.067 -15.116 12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.695 -14.711 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.672 -13.477 10.911 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.072 -14.350 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.037 -15.772 10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.974 -15.637 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.289 -15.830 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.371 -17.961 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.159 -17.765 9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.791 -17.578 9.977 1.00 0.00 H new ATOM 280 N ARG A 22 -1.658 -12.698 14.840 1.00 0.00 N ATOM 281 CA ARG A 22 -2.444 -11.947 15.812 1.00 0.00 C ATOM 282 C ARG A 22 -2.790 -10.561 15.276 1.00 0.00 C ATOM 283 O ARG A 22 -1.974 -9.642 15.334 1.00 0.00 O ATOM 284 CB ARG A 22 -1.678 -11.824 17.131 1.00 0.00 C ATOM 285 CG ARG A 22 -2.081 -12.861 18.169 1.00 0.00 C ATOM 286 CD ARG A 22 -2.760 -12.217 19.369 1.00 0.00 C ATOM 287 NE ARG A 22 -3.438 -13.202 20.208 1.00 0.00 N ATOM 288 CZ ARG A 22 -2.815 -13.982 21.087 1.00 0.00 C ATOM 289 NH1 ARG A 22 -1.500 -13.895 21.247 1.00 0.00 N ATOM 290 NH2 ARG A 22 -3.508 -14.851 21.811 1.00 0.00 N ATOM 0 H ARG A 22 -0.747 -12.290 14.629 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.373 -12.489 15.990 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.611 -11.918 16.932 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.839 -10.828 17.543 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.755 -13.588 17.716 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.198 -13.408 18.500 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.017 -11.684 19.963 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.482 -11.477 19.023 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.449 -13.297 20.114 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.962 -13.227 20.694 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.028 -14.496 21.923 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.519 -14.921 21.694 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.030 -15.449 22.485 1.00 0.00 H new ATOM 304 N TYR A 23 -4.005 -10.420 14.758 1.00 0.00 N ATOM 305 CA TYR A 23 -4.459 -9.145 14.212 1.00 0.00 C ATOM 306 C TYR A 23 -3.588 -8.713 13.034 1.00 0.00 C ATOM 307 O TYR A 23 -3.376 -7.523 12.808 1.00 0.00 O ATOM 308 CB TYR A 23 -4.445 -8.068 15.301 1.00 0.00 C ATOM 309 CG TYR A 23 -5.819 -7.538 15.644 1.00 0.00 C ATOM 310 CD1 TYR A 23 -6.355 -6.450 14.966 1.00 0.00 C ATOM 311 CD2 TYR A 23 -6.579 -8.124 16.648 1.00 0.00 C ATOM 312 CE1 TYR A 23 -7.611 -5.963 15.278 1.00 0.00 C ATOM 313 CE2 TYR A 23 -7.835 -7.643 16.966 1.00 0.00 C ATOM 314 CZ TYR A 23 -8.346 -6.563 16.278 1.00 0.00 C ATOM 315 OH TYR A 23 -9.596 -6.082 16.592 1.00 0.00 O ATOM 0 H TYR A 23 -4.693 -11.171 14.704 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.480 -9.274 13.852 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.988 -8.479 16.201 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -3.816 -7.240 14.974 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.781 -5.977 14.183 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.182 -8.970 17.189 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.014 -5.117 14.741 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.413 -8.111 17.749 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.980 -6.617 17.318 1.00 0.00 H new ATOM 325 N LYS A 24 -3.086 -9.693 12.288 1.00 0.00 N ATOM 326 CA LYS A 24 -2.240 -9.417 11.132 1.00 0.00 C ATOM 327 C LYS A 24 -3.013 -9.607 9.833 1.00 0.00 C ATOM 328 O LYS A 24 -2.581 -10.334 8.939 1.00 0.00 O ATOM 329 CB LYS A 24 -1.009 -10.326 11.147 1.00 0.00 C ATOM 330 CG LYS A 24 0.119 -9.808 12.025 1.00 0.00 C ATOM 331 CD LYS A 24 0.758 -10.926 12.835 1.00 0.00 C ATOM 332 CE LYS A 24 1.006 -10.501 14.273 1.00 0.00 C ATOM 333 NZ LYS A 24 2.229 -9.662 14.403 1.00 0.00 N ATOM 0 H LYS A 24 -3.250 -10.684 12.463 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.916 -8.378 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.303 -11.316 11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.641 -10.442 10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.876 -9.331 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.266 -9.044 12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.111 -11.803 12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.701 -11.218 12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.144 -9.945 14.641 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.105 -11.386 14.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.761 -9.952 15.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.825 -9.785 13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.956 -8.662 14.492 1.00 0.00 H new ATOM 347 N PHE A 25 -4.160 -8.945 9.736 1.00 0.00 N ATOM 348 CA PHE A 25 -4.992 -9.036 8.547 1.00 0.00 C ATOM 349 C PHE A 25 -4.238 -8.548 7.320 1.00 0.00 C ATOM 350 O PHE A 25 -3.344 -7.708 7.426 1.00 0.00 O ATOM 351 CB PHE A 25 -6.278 -8.226 8.733 1.00 0.00 C ATOM 352 CG PHE A 25 -7.515 -9.074 8.808 1.00 0.00 C ATOM 353 CD1 PHE A 25 -7.981 -9.745 7.689 1.00 0.00 C ATOM 354 CD2 PHE A 25 -8.212 -9.201 9.999 1.00 0.00 C ATOM 355 CE1 PHE A 25 -9.119 -10.526 7.756 1.00 0.00 C ATOM 356 CE2 PHE A 25 -9.350 -9.981 10.073 1.00 0.00 C ATOM 357 CZ PHE A 25 -9.805 -10.644 8.949 1.00 0.00 C ATOM 0 H PHE A 25 -4.533 -8.340 10.467 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.254 -10.083 8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.197 -7.635 9.645 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.378 -7.524 7.906 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.449 -9.657 6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.861 -8.684 10.880 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.472 -11.044 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.883 -10.072 11.008 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.695 -11.253 9.003 1.00 0.00 H new ATOM 367 N SER A 26 -4.612 -9.064 6.153 1.00 0.00 N ATOM 368 CA SER A 26 -3.981 -8.660 4.903 1.00 0.00 C ATOM 369 C SER A 26 -4.453 -7.259 4.536 1.00 0.00 C ATOM 370 O SER A 26 -4.939 -7.016 3.431 1.00 0.00 O ATOM 371 CB SER A 26 -4.322 -9.645 3.784 1.00 0.00 C ATOM 372 OG SER A 26 -5.724 -9.842 3.685 1.00 0.00 O ATOM 0 H SER A 26 -5.348 -9.762 6.048 1.00 0.00 H new ATOM 0 HA SER A 26 -2.899 -8.658 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.937 -9.270 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.830 -10.599 3.973 1.00 0.00 H new ATOM 0 HG SER A 26 -5.915 -10.474 2.961 1.00 0.00 H new ATOM 378 N ALA A 27 -4.317 -6.350 5.493 1.00 0.00 N ATOM 379 CA ALA A 27 -4.732 -4.969 5.332 1.00 0.00 C ATOM 380 C ALA A 27 -4.720 -4.264 6.682 1.00 0.00 C ATOM 381 O ALA A 27 -4.544 -3.047 6.753 1.00 0.00 O ATOM 382 CB ALA A 27 -6.117 -4.897 4.708 1.00 0.00 C ATOM 0 H ALA A 27 -3.913 -6.555 6.407 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.031 -4.467 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.411 -3.854 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.101 -5.377 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.833 -5.408 5.351 1.00 0.00 H new ATOM 388 N SER A 28 -4.901 -5.035 7.761 1.00 0.00 N ATOM 389 CA SER A 28 -4.899 -4.469 9.107 1.00 0.00 C ATOM 390 C SER A 28 -3.675 -3.581 9.320 1.00 0.00 C ATOM 391 O SER A 28 -3.703 -2.647 10.122 1.00 0.00 O ATOM 392 CB SER A 28 -4.923 -5.582 10.156 1.00 0.00 C ATOM 393 OG SER A 28 -6.218 -5.729 10.713 1.00 0.00 O ATOM 0 H SER A 28 -5.049 -6.044 7.725 1.00 0.00 H new ATOM 0 HA SER A 28 -5.796 -3.859 9.217 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.610 -6.522 9.701 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.207 -5.357 10.946 1.00 0.00 H new ATOM 0 HG SER A 28 -6.208 -6.447 11.379 1.00 0.00 H new ATOM 399 N GLU A 29 -2.600 -3.880 8.591 1.00 0.00 N ATOM 400 CA GLU A 29 -1.362 -3.109 8.694 1.00 0.00 C ATOM 401 C GLU A 29 -1.639 -1.610 8.592 1.00 0.00 C ATOM 402 O GLU A 29 -1.142 -0.819 9.398 1.00 0.00 O ATOM 403 CB GLU A 29 -0.380 -3.534 7.602 1.00 0.00 C ATOM 404 CG GLU A 29 -1.005 -3.617 6.219 1.00 0.00 C ATOM 405 CD GLU A 29 -0.610 -2.456 5.328 1.00 0.00 C ATOM 406 OE1 GLU A 29 -0.547 -1.316 5.834 1.00 0.00 O ATOM 407 OE2 GLU A 29 -0.364 -2.685 4.126 1.00 0.00 O ATOM 0 H GLU A 29 -2.562 -4.650 7.923 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.920 -3.311 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.449 -2.826 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.039 -4.506 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.706 -4.552 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.090 -3.642 6.316 1.00 0.00 H new ATOM 414 N ASP A 30 -2.440 -1.226 7.602 1.00 0.00 N ATOM 415 CA ASP A 30 -2.787 0.178 7.405 1.00 0.00 C ATOM 416 C ASP A 30 -3.416 0.752 8.667 1.00 0.00 C ATOM 417 O ASP A 30 -3.147 1.892 9.049 1.00 0.00 O ATOM 418 CB ASP A 30 -3.747 0.329 6.224 1.00 0.00 C ATOM 419 CG ASP A 30 -3.526 1.621 5.461 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.443 2.686 6.109 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.434 1.567 4.217 1.00 0.00 O ATOM 0 H ASP A 30 -2.860 -1.865 6.926 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.873 0.731 7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.621 -0.516 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.774 0.296 6.588 1.00 0.00 H new ATOM 426 N GLU A 31 -4.248 -0.053 9.316 1.00 0.00 N ATOM 427 CA GLU A 31 -4.910 0.362 10.545 1.00 0.00 C ATOM 428 C GLU A 31 -3.889 0.555 11.659 1.00 0.00 C ATOM 429 O GLU A 31 -4.075 1.379 12.554 1.00 0.00 O ATOM 430 CB GLU A 31 -5.958 -0.671 10.966 1.00 0.00 C ATOM 431 CG GLU A 31 -6.884 -0.183 12.068 1.00 0.00 C ATOM 432 CD GLU A 31 -8.301 0.050 11.578 1.00 0.00 C ATOM 433 OE1 GLU A 31 -8.510 0.998 10.791 1.00 0.00 O ATOM 434 OE2 GLU A 31 -9.201 -0.715 11.982 1.00 0.00 O ATOM 0 H GLU A 31 -4.480 -0.998 9.011 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.412 1.312 10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.555 -0.946 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.450 -1.575 11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.898 -0.914 12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.490 0.744 12.484 1.00 0.00 H new ATOM 441 N ALA A 32 -2.801 -0.208 11.593 1.00 0.00 N ATOM 442 CA ALA A 32 -1.747 -0.113 12.589 1.00 0.00 C ATOM 443 C ALA A 32 -1.016 1.217 12.464 1.00 0.00 C ATOM 444 O ALA A 32 -0.645 1.829 13.465 1.00 0.00 O ATOM 445 CB ALA A 32 -0.775 -1.274 12.450 1.00 0.00 C ATOM 0 H ALA A 32 -2.630 -0.897 10.860 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.201 -0.164 13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.007 -1.186 13.204 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.309 -2.214 12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.326 -1.255 11.457 1.00 0.00 H new ATOM 451 N ILE A 33 -0.821 1.663 11.229 1.00 0.00 N ATOM 452 CA ILE A 33 -0.144 2.929 10.982 1.00 0.00 C ATOM 453 C ILE A 33 -0.964 4.086 11.524 1.00 0.00 C ATOM 454 O ILE A 33 -0.458 4.931 12.260 1.00 0.00 O ATOM 455 CB ILE A 33 0.108 3.182 9.485 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.607 1.913 8.795 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.101 4.321 9.316 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.067 2.135 7.368 1.00 0.00 C ATOM 0 H ILE A 33 -1.120 1.170 10.388 1.00 0.00 H new ATOM 0 HA ILE A 33 0.817 2.863 11.492 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.832 3.465 9.012 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.432 1.497 9.373 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.191 1.171 8.799 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.276 4.496 8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.698 5.226 9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.041 4.059 9.801 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.407 1.190 6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.238 2.522 6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.887 2.853 7.358 1.00 0.00 H new ATOM 470 N ILE A 34 -2.234 4.117 11.147 1.00 0.00 N ATOM 471 CA ILE A 34 -3.131 5.171 11.590 1.00 0.00 C ATOM 472 C ILE A 34 -3.196 5.216 13.113 1.00 0.00 C ATOM 473 O ILE A 34 -3.223 6.290 13.714 1.00 0.00 O ATOM 474 CB ILE A 34 -4.548 4.986 11.013 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.489 6.090 11.509 1.00 0.00 C ATOM 476 CG2 ILE A 34 -5.085 3.614 11.378 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.941 7.034 10.414 1.00 0.00 C ATOM 0 H ILE A 34 -2.665 3.424 10.535 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.732 6.115 11.220 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.492 5.060 9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.365 5.631 11.967 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.986 6.663 12.287 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.087 3.494 10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.429 2.846 10.968 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.125 3.516 12.463 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.604 7.789 10.836 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.072 7.520 9.971 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.473 6.472 9.646 1.00 0.00 H new ATOM 489 N LYS A 35 -3.202 4.040 13.733 1.00 0.00 N ATOM 490 CA LYS A 35 -3.245 3.949 15.185 1.00 0.00 C ATOM 491 C LYS A 35 -1.948 4.483 15.773 1.00 0.00 C ATOM 492 O LYS A 35 -1.949 5.192 16.781 1.00 0.00 O ATOM 493 CB LYS A 35 -3.468 2.501 15.626 1.00 0.00 C ATOM 494 CG LYS A 35 -4.267 2.374 16.914 1.00 0.00 C ATOM 495 CD LYS A 35 -5.116 1.112 16.919 1.00 0.00 C ATOM 496 CE LYS A 35 -5.649 0.806 18.309 1.00 0.00 C ATOM 497 NZ LYS A 35 -6.891 -0.014 18.260 1.00 0.00 N ATOM 0 H LYS A 35 -3.178 3.140 13.253 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.077 4.551 15.550 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.987 1.964 14.832 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.500 2.017 15.759 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.587 2.360 17.766 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.909 3.247 17.033 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.949 1.230 16.226 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.522 0.271 16.563 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.887 0.277 18.881 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.851 1.740 18.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.222 -0.201 19.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.627 0.501 17.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.693 -0.916 17.782 1.00 0.00 H new ATOM 511 N GLY A 36 -0.841 4.149 15.123 1.00 0.00 N ATOM 512 CA GLY A 36 0.455 4.611 15.576 1.00 0.00 C ATOM 513 C GLY A 36 0.571 6.118 15.496 1.00 0.00 C ATOM 514 O GLY A 36 0.956 6.773 16.463 1.00 0.00 O ATOM 0 H GLY A 36 -0.818 3.564 14.287 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.618 4.287 16.604 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.237 4.153 14.970 1.00 0.00 H new ATOM 518 N LEU A 37 0.226 6.669 14.337 1.00 0.00 N ATOM 519 CA LEU A 37 0.286 8.109 14.130 1.00 0.00 C ATOM 520 C LEU A 37 -0.610 8.834 15.128 1.00 0.00 C ATOM 521 O LEU A 37 -0.323 9.960 15.533 1.00 0.00 O ATOM 522 CB LEU A 37 -0.135 8.457 12.700 1.00 0.00 C ATOM 523 CG LEU A 37 0.983 8.392 11.654 1.00 0.00 C ATOM 524 CD1 LEU A 37 1.848 7.157 11.865 1.00 0.00 C ATOM 525 CD2 LEU A 37 0.397 8.401 10.250 1.00 0.00 C ATOM 0 H LEU A 37 -0.098 6.139 13.528 1.00 0.00 H new ATOM 0 HA LEU A 37 1.314 8.435 14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.932 7.778 12.398 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.555 9.463 12.697 1.00 0.00 H new ATOM 0 HG LEU A 37 1.614 9.273 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.635 7.131 11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.297 7.192 12.858 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.232 6.262 11.777 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.204 8.354 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.258 7.539 10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.176 9.316 10.101 1.00 0.00 H new ATOM 537 N ALA A 38 -1.698 8.181 15.523 1.00 0.00 N ATOM 538 CA ALA A 38 -2.632 8.766 16.476 1.00 0.00 C ATOM 539 C ALA A 38 -1.989 8.923 17.851 1.00 0.00 C ATOM 540 O ALA A 38 -2.328 9.835 18.604 1.00 0.00 O ATOM 541 CB ALA A 38 -3.890 7.918 16.572 1.00 0.00 C ATOM 0 H ALA A 38 -1.954 7.248 15.198 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.904 9.758 16.117 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.578 8.368 17.288 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.368 7.864 15.594 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.627 6.913 16.903 1.00 0.00 H new ATOM 547 N ARG A 39 -1.062 8.025 18.174 1.00 0.00 N ATOM 548 CA ARG A 39 -0.377 8.067 19.463 1.00 0.00 C ATOM 549 C ARG A 39 1.119 8.320 19.287 1.00 0.00 C ATOM 550 O ARG A 39 1.926 7.919 20.125 1.00 0.00 O ATOM 551 CB ARG A 39 -0.600 6.755 20.222 1.00 0.00 C ATOM 552 CG ARG A 39 -1.400 6.925 21.505 1.00 0.00 C ATOM 553 CD ARG A 39 -2.792 6.325 21.379 1.00 0.00 C ATOM 554 NE ARG A 39 -3.547 6.428 22.626 1.00 0.00 N ATOM 555 CZ ARG A 39 -4.028 7.570 23.110 1.00 0.00 C ATOM 556 NH1 ARG A 39 -3.839 8.709 22.454 1.00 0.00 N ATOM 557 NH2 ARG A 39 -4.704 7.576 24.251 1.00 0.00 N ATOM 0 H ARG A 39 -0.769 7.262 17.564 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.795 8.892 20.039 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.118 6.051 19.571 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.368 6.314 20.462 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.871 6.449 22.330 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.480 7.985 21.747 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.336 6.834 20.583 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.710 5.277 21.090 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.715 5.573 23.157 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.323 8.711 21.574 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.210 9.582 22.830 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.856 6.704 24.759 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.072 8.452 24.621 1.00 0.00 H new ATOM 571 N PHE A 40 1.485 8.989 18.197 1.00 0.00 N ATOM 572 CA PHE A 40 2.884 9.294 17.918 1.00 0.00 C ATOM 573 C PHE A 40 2.998 10.477 16.946 1.00 0.00 C ATOM 574 O PHE A 40 2.174 11.391 16.986 1.00 0.00 O ATOM 575 CB PHE A 40 3.589 8.047 17.366 1.00 0.00 C ATOM 576 CG PHE A 40 3.800 6.973 18.397 1.00 0.00 C ATOM 577 CD1 PHE A 40 4.647 7.187 19.473 1.00 0.00 C ATOM 578 CD2 PHE A 40 3.153 5.752 18.290 1.00 0.00 C ATOM 579 CE1 PHE A 40 4.844 6.204 20.422 1.00 0.00 C ATOM 580 CE2 PHE A 40 3.347 4.764 19.238 1.00 0.00 C ATOM 581 CZ PHE A 40 4.193 4.991 20.305 1.00 0.00 C ATOM 0 H PHE A 40 0.831 9.330 17.492 1.00 0.00 H new ATOM 0 HA PHE A 40 3.377 9.584 18.846 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.000 7.640 16.544 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.555 8.338 16.953 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.159 8.133 19.570 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.490 5.570 17.457 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.507 6.383 21.256 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.838 3.816 19.144 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.346 4.221 21.047 1.00 0.00 H new ATOM 591 N THR A 41 4.018 10.464 16.080 1.00 0.00 N ATOM 592 CA THR A 41 4.231 11.540 15.111 1.00 0.00 C ATOM 593 C THR A 41 4.083 12.915 15.753 1.00 0.00 C ATOM 594 O THR A 41 3.025 13.541 15.680 1.00 0.00 O ATOM 595 CB THR A 41 3.278 11.405 13.919 1.00 0.00 C ATOM 596 OG1 THR A 41 3.340 12.557 13.096 1.00 0.00 O ATOM 597 CG2 THR A 41 1.832 11.206 14.314 1.00 0.00 C ATOM 0 H THR A 41 4.710 9.716 16.032 1.00 0.00 H new ATOM 0 HA THR A 41 5.255 11.447 14.750 1.00 0.00 H new ATOM 0 HB THR A 41 3.614 10.514 13.388 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.408 12.285 12.157 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.219 11.119 13.417 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.739 10.296 14.907 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.495 12.059 14.903 1.00 0.00 H new ATOM 605 N LYS A 42 5.163 13.380 16.370 1.00 0.00 N ATOM 606 CA LYS A 42 5.181 14.684 17.018 1.00 0.00 C ATOM 607 C LYS A 42 6.472 15.426 16.679 1.00 0.00 C ATOM 608 O LYS A 42 6.895 16.323 17.409 1.00 0.00 O ATOM 609 CB LYS A 42 5.050 14.528 18.535 1.00 0.00 C ATOM 610 CG LYS A 42 3.956 13.562 18.958 1.00 0.00 C ATOM 611 CD LYS A 42 4.232 12.973 20.331 1.00 0.00 C ATOM 612 CE LYS A 42 5.157 11.771 20.247 1.00 0.00 C ATOM 613 NZ LYS A 42 5.543 11.270 21.595 1.00 0.00 N ATOM 0 H LYS A 42 6.043 12.868 16.435 1.00 0.00 H new ATOM 0 HA LYS A 42 4.334 15.264 16.651 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.002 14.184 18.939 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.850 15.505 18.976 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.997 14.080 18.969 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.876 12.758 18.226 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.680 13.734 20.971 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.292 12.678 20.797 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.665 10.973 19.691 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.054 12.042 19.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.174 10.450 21.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.035 12.023 22.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.690 10.987 22.118 1.00 0.00 H new ATOM 627 N GLY A 43 7.096 15.039 15.569 1.00 0.00 N ATOM 628 CA GLY A 43 8.334 15.668 15.149 1.00 0.00 C ATOM 629 C GLY A 43 9.429 14.657 14.869 1.00 0.00 C ATOM 630 O GLY A 43 9.408 13.547 15.400 1.00 0.00 O ATOM 0 H GLY A 43 6.764 14.298 14.952 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.152 16.260 14.252 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.669 16.358 15.924 1.00 0.00 H new ATOM 634 N GLN A 44 10.387 15.041 14.030 1.00 0.00 N ATOM 635 CA GLN A 44 11.501 14.165 13.674 1.00 0.00 C ATOM 636 C GLN A 44 11.036 12.973 12.834 1.00 0.00 C ATOM 637 O GLN A 44 11.794 12.026 12.618 1.00 0.00 O ATOM 638 CB GLN A 44 12.217 13.669 14.937 1.00 0.00 C ATOM 639 CG GLN A 44 13.547 14.358 15.192 1.00 0.00 C ATOM 640 CD GLN A 44 14.731 13.426 15.026 1.00 0.00 C ATOM 641 OE1 GLN A 44 15.027 12.968 13.922 1.00 0.00 O ATOM 642 NE2 GLN A 44 15.418 13.140 16.127 1.00 0.00 N ATOM 0 H GLN A 44 10.415 15.957 13.582 1.00 0.00 H new ATOM 0 HA GLN A 44 12.197 14.749 13.072 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.566 13.823 15.798 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.384 12.595 14.852 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.653 15.199 14.507 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.551 14.768 16.202 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.138 13.542 17.022 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.226 12.519 16.077 1.00 0.00 H new ATOM 651 N GLN A 45 9.794 13.025 12.355 1.00 0.00 N ATOM 652 CA GLN A 45 9.248 11.950 11.534 1.00 0.00 C ATOM 653 C GLN A 45 9.191 10.637 12.310 1.00 0.00 C ATOM 654 O GLN A 45 10.197 9.942 12.454 1.00 0.00 O ATOM 655 CB GLN A 45 10.085 11.773 10.266 1.00 0.00 C ATOM 656 CG GLN A 45 9.434 12.356 9.021 1.00 0.00 C ATOM 657 CD GLN A 45 10.385 13.220 8.214 1.00 0.00 C ATOM 658 OE1 GLN A 45 11.055 14.099 8.755 1.00 0.00 O ATOM 659 NE2 GLN A 45 10.447 12.971 6.911 1.00 0.00 N ATOM 0 H GLN A 45 9.150 13.798 12.522 1.00 0.00 H new ATOM 0 HA GLN A 45 8.231 12.225 11.255 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.056 12.245 10.413 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.268 10.710 10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.066 11.544 8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.568 12.950 9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.873 12.232 6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.069 13.519 6.316 1.00 0.00 H new ATOM 668 N ARG A 46 8.003 10.305 12.805 1.00 0.00 N ATOM 669 CA ARG A 46 7.800 9.076 13.565 1.00 0.00 C ATOM 670 C ARG A 46 7.294 7.951 12.669 1.00 0.00 C ATOM 671 O ARG A 46 7.443 6.776 12.993 1.00 0.00 O ATOM 672 CB ARG A 46 6.806 9.306 14.703 1.00 0.00 C ATOM 673 CG ARG A 46 7.417 9.977 15.922 1.00 0.00 C ATOM 674 CD ARG A 46 7.768 8.961 16.995 1.00 0.00 C ATOM 675 NE ARG A 46 9.168 8.549 16.922 1.00 0.00 N ATOM 676 CZ ARG A 46 10.179 9.262 17.415 1.00 0.00 C ATOM 677 NH1 ARG A 46 9.950 10.423 18.017 1.00 0.00 N ATOM 678 NH2 ARG A 46 11.422 8.814 17.305 1.00 0.00 N ATOM 0 H ARG A 46 7.163 10.872 12.693 1.00 0.00 H new ATOM 0 HA ARG A 46 8.764 8.785 13.981 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.983 9.919 14.336 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.381 8.348 15.002 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.314 10.523 15.628 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.717 10.708 16.326 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.566 9.387 17.978 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.127 8.086 16.889 1.00 0.00 H new ATOM 0 HE ARG A 46 9.384 7.662 16.466 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.996 10.773 18.104 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.728 10.965 18.393 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.604 7.923 16.843 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.196 9.360 17.683 1.00 0.00 H new ATOM 692 N PHE A 47 6.675 8.320 11.550 1.00 0.00 N ATOM 693 CA PHE A 47 6.122 7.343 10.613 1.00 0.00 C ATOM 694 C PHE A 47 7.086 6.185 10.362 1.00 0.00 C ATOM 695 O PHE A 47 6.675 5.025 10.310 1.00 0.00 O ATOM 696 CB PHE A 47 5.784 8.024 9.285 1.00 0.00 C ATOM 697 CG PHE A 47 5.008 9.301 9.442 1.00 0.00 C ATOM 698 CD1 PHE A 47 3.636 9.277 9.620 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.656 10.528 9.409 1.00 0.00 C ATOM 700 CE1 PHE A 47 2.922 10.452 9.764 1.00 0.00 C ATOM 701 CE2 PHE A 47 4.946 11.704 9.551 1.00 0.00 C ATOM 702 CZ PHE A 47 3.577 11.667 9.729 1.00 0.00 C ATOM 0 H PHE A 47 6.543 9.292 11.269 1.00 0.00 H new ATOM 0 HA PHE A 47 5.217 6.935 11.062 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.709 8.235 8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.209 7.333 8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.117 8.330 9.647 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.727 10.563 9.271 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.852 10.420 9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.461 12.653 9.523 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.020 12.586 9.841 1.00 0.00 H new ATOM 712 N GLN A 48 8.364 6.500 10.205 1.00 0.00 N ATOM 713 CA GLN A 48 9.371 5.475 9.959 1.00 0.00 C ATOM 714 C GLN A 48 9.593 4.611 11.199 1.00 0.00 C ATOM 715 O GLN A 48 9.563 3.381 11.125 1.00 0.00 O ATOM 716 CB GLN A 48 10.691 6.119 9.530 1.00 0.00 C ATOM 717 CG GLN A 48 11.516 5.249 8.596 1.00 0.00 C ATOM 718 CD GLN A 48 12.975 5.663 8.552 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.832 5.021 9.157 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.262 6.742 7.833 1.00 0.00 N ATOM 0 H GLN A 48 8.728 7.452 10.243 1.00 0.00 H new ATOM 0 HA GLN A 48 9.007 4.834 9.156 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.480 7.068 9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.281 6.345 10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.446 4.210 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.097 5.301 7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.519 7.244 7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.226 7.069 7.766 1.00 0.00 H new ATOM 729 N GLN A 49 9.813 5.260 12.339 1.00 0.00 N ATOM 730 CA GLN A 49 10.040 4.549 13.594 1.00 0.00 C ATOM 731 C GLN A 49 8.865 3.632 13.918 1.00 0.00 C ATOM 732 O GLN A 49 9.045 2.448 14.204 1.00 0.00 O ATOM 733 CB GLN A 49 10.256 5.544 14.736 1.00 0.00 C ATOM 734 CG GLN A 49 11.239 5.059 15.789 1.00 0.00 C ATOM 735 CD GLN A 49 12.575 5.772 15.713 1.00 0.00 C ATOM 736 OE1 GLN A 49 13.164 6.125 16.734 1.00 0.00 O ATOM 737 NE2 GLN A 49 13.061 5.989 14.495 1.00 0.00 N ATOM 0 H GLN A 49 9.839 6.276 12.420 1.00 0.00 H new ATOM 0 HA GLN A 49 10.935 3.937 13.481 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.615 6.486 14.322 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.298 5.750 15.213 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.808 5.208 16.779 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.396 3.987 15.668 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.539 5.679 13.675 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.956 6.465 14.380 1.00 0.00 H new ATOM 746 N ILE A 50 7.659 4.188 13.864 1.00 0.00 N ATOM 747 CA ILE A 50 6.453 3.421 14.145 1.00 0.00 C ATOM 748 C ILE A 50 6.343 2.235 13.196 1.00 0.00 C ATOM 749 O ILE A 50 5.921 1.148 13.591 1.00 0.00 O ATOM 750 CB ILE A 50 5.187 4.300 14.036 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.958 3.537 14.547 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.980 4.780 12.606 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.398 2.529 13.563 1.00 0.00 C ATOM 0 H ILE A 50 7.492 5.166 13.628 1.00 0.00 H new ATOM 0 HA ILE A 50 6.527 3.055 15.169 1.00 0.00 H new ATOM 0 HB ILE A 50 5.325 5.180 14.664 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.223 3.019 15.469 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.177 4.255 14.798 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.083 5.397 12.555 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.842 5.368 12.291 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.867 3.920 11.946 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.532 2.034 14.002 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.098 3.041 12.649 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.161 1.786 13.330 1.00 0.00 H new ATOM 765 N TYR A 51 6.741 2.446 11.945 1.00 0.00 N ATOM 766 CA TYR A 51 6.702 1.387 10.946 1.00 0.00 C ATOM 767 C TYR A 51 7.501 0.180 11.416 1.00 0.00 C ATOM 768 O TYR A 51 7.028 -0.956 11.359 1.00 0.00 O ATOM 769 CB TYR A 51 7.255 1.881 9.609 1.00 0.00 C ATOM 770 CG TYR A 51 6.903 0.979 8.445 1.00 0.00 C ATOM 771 CD1 TYR A 51 7.383 -0.324 8.380 1.00 0.00 C ATOM 772 CD2 TYR A 51 6.089 1.431 7.419 1.00 0.00 C ATOM 773 CE1 TYR A 51 7.057 -1.148 7.319 1.00 0.00 C ATOM 774 CE2 TYR A 51 5.759 0.613 6.356 1.00 0.00 C ATOM 775 CZ TYR A 51 6.245 -0.675 6.310 1.00 0.00 C ATOM 776 OH TYR A 51 5.920 -1.493 5.254 1.00 0.00 O ATOM 0 H TYR A 51 7.093 3.339 11.601 1.00 0.00 H new ATOM 0 HA TYR A 51 5.661 1.094 10.809 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.871 2.882 9.413 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.340 1.964 9.681 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.019 -0.698 9.169 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.706 2.440 7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.437 -2.158 7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.123 0.982 5.565 1.00 0.00 H new ATOM 0 HH TYR A 51 5.340 -1.008 4.631 1.00 0.00 H new ATOM 786 N TYR A 52 8.715 0.440 11.879 1.00 0.00 N ATOM 787 CA TYR A 52 9.592 -0.616 12.364 1.00 0.00 C ATOM 788 C TYR A 52 8.984 -1.315 13.573 1.00 0.00 C ATOM 789 O TYR A 52 9.159 -2.520 13.759 1.00 0.00 O ATOM 790 CB TYR A 52 10.963 -0.045 12.729 1.00 0.00 C ATOM 791 CG TYR A 52 11.831 0.268 11.529 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.997 -0.658 10.508 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.484 1.489 11.422 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.791 -0.377 9.411 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.278 1.779 10.328 1.00 0.00 C ATOM 796 CZ TYR A 52 13.427 0.842 9.327 1.00 0.00 C ATOM 797 OH TYR A 52 14.217 1.128 8.238 1.00 0.00 O ATOM 0 H TYR A 52 9.116 1.376 11.929 1.00 0.00 H new ATOM 0 HA TYR A 52 9.712 -1.347 11.565 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.824 0.865 13.313 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.485 -0.757 13.368 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.498 -1.614 10.571 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.370 2.223 12.206 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.912 -1.108 8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.779 2.733 10.258 1.00 0.00 H new ATOM 0 HH TYR A 52 14.591 2.029 8.333 1.00 0.00 H new ATOM 807 N ALA A 53 8.272 -0.553 14.397 1.00 0.00 N ATOM 808 CA ALA A 53 7.646 -1.106 15.592 1.00 0.00 C ATOM 809 C ALA A 53 6.558 -2.111 15.234 1.00 0.00 C ATOM 810 O ALA A 53 6.560 -3.243 15.718 1.00 0.00 O ATOM 811 CB ALA A 53 7.072 0.011 16.450 1.00 0.00 C ATOM 0 H ALA A 53 8.115 0.445 14.260 1.00 0.00 H new ATOM 0 HA ALA A 53 8.413 -1.632 16.160 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.607 -0.415 17.339 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.872 0.689 16.748 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.325 0.561 15.879 1.00 0.00 H new ATOM 817 N TYR A 54 5.632 -1.693 14.380 1.00 0.00 N ATOM 818 CA TYR A 54 4.540 -2.562 13.951 1.00 0.00 C ATOM 819 C TYR A 54 4.996 -3.552 12.875 1.00 0.00 C ATOM 820 O TYR A 54 4.195 -4.338 12.368 1.00 0.00 O ATOM 821 CB TYR A 54 3.347 -1.722 13.461 1.00 0.00 C ATOM 822 CG TYR A 54 3.280 -1.528 11.960 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.682 -2.478 11.143 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.810 -0.390 11.365 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.617 -2.303 9.774 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.747 -0.207 9.995 1.00 0.00 C ATOM 827 CZ TYR A 54 3.150 -1.166 9.205 1.00 0.00 C ATOM 828 OH TYR A 54 3.086 -0.987 7.842 1.00 0.00 O ATOM 0 H TYR A 54 5.614 -0.759 13.970 1.00 0.00 H new ATOM 0 HA TYR A 54 4.219 -3.148 14.812 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.425 -2.198 13.793 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.390 -0.743 13.938 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.261 -3.369 11.585 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.278 0.363 11.981 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.151 -3.053 9.153 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.164 0.683 9.547 1.00 0.00 H new ATOM 0 HH TYR A 54 3.949 -0.657 7.515 1.00 0.00 H new ATOM 838 N ARG A 55 6.283 -3.513 12.528 1.00 0.00 N ATOM 839 CA ARG A 55 6.827 -4.410 11.510 1.00 0.00 C ATOM 840 C ARG A 55 6.502 -5.867 11.827 1.00 0.00 C ATOM 841 O ARG A 55 6.445 -6.709 10.930 1.00 0.00 O ATOM 842 CB ARG A 55 8.342 -4.227 11.401 1.00 0.00 C ATOM 843 CG ARG A 55 8.948 -4.880 10.170 1.00 0.00 C ATOM 844 CD ARG A 55 10.060 -5.853 10.538 1.00 0.00 C ATOM 845 NE ARG A 55 11.330 -5.171 10.782 1.00 0.00 N ATOM 846 CZ ARG A 55 11.810 -4.888 11.993 1.00 0.00 C ATOM 847 NH1 ARG A 55 11.133 -5.226 13.085 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.973 -4.265 12.111 1.00 0.00 N ATOM 0 H ARG A 55 6.965 -2.873 12.935 1.00 0.00 H new ATOM 0 HA ARG A 55 6.363 -4.156 10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.570 -3.161 11.386 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.814 -4.642 12.291 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.170 -5.408 9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.343 -4.110 9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.772 -6.412 11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.187 -6.578 9.734 1.00 0.00 H new ATOM 0 HE ARG A 55 11.885 -4.894 9.973 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.237 -5.707 13.001 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.509 -5.005 14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.498 -4.003 11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.343 -4.047 13.036 1.00 0.00 H new ATOM 862 N SER A 56 6.283 -6.159 13.105 1.00 0.00 N ATOM 863 CA SER A 56 5.955 -7.514 13.531 1.00 0.00 C ATOM 864 C SER A 56 4.664 -7.990 12.871 1.00 0.00 C ATOM 865 O SER A 56 4.454 -9.189 12.691 1.00 0.00 O ATOM 866 CB SER A 56 5.814 -7.573 15.054 1.00 0.00 C ATOM 867 OG SER A 56 7.063 -7.363 15.691 1.00 0.00 O ATOM 0 H SER A 56 6.327 -5.477 13.862 1.00 0.00 H new ATOM 0 HA SER A 56 6.767 -8.173 13.223 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.102 -6.818 15.386 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.411 -8.542 15.348 1.00 0.00 H new ATOM 0 HG SER A 56 6.945 -7.404 16.663 1.00 0.00 H new ATOM 873 N VAL A 57 3.805 -7.040 12.510 1.00 0.00 N ATOM 874 CA VAL A 57 2.537 -7.361 11.869 1.00 0.00 C ATOM 875 C VAL A 57 2.745 -7.767 10.414 1.00 0.00 C ATOM 876 O VAL A 57 2.622 -8.941 10.063 1.00 0.00 O ATOM 877 CB VAL A 57 1.562 -6.166 11.923 1.00 0.00 C ATOM 878 CG1 VAL A 57 0.248 -6.506 11.231 1.00 0.00 C ATOM 879 CG2 VAL A 57 1.320 -5.747 13.362 1.00 0.00 C ATOM 0 H VAL A 57 3.966 -6.043 12.651 1.00 0.00 H new ATOM 0 HA VAL A 57 2.106 -8.198 12.419 1.00 0.00 H new ATOM 0 HB VAL A 57 2.014 -5.329 11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.423 -5.648 11.282 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.440 -6.755 10.187 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.215 -7.359 11.728 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.630 -4.903 13.384 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.890 -6.581 13.917 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.265 -5.455 13.820 1.00 0.00 H new ATOM 889 N TRP A 58 3.057 -6.789 9.573 1.00 0.00 N ATOM 890 CA TRP A 58 3.277 -7.045 8.156 1.00 0.00 C ATOM 891 C TRP A 58 4.755 -6.911 7.802 1.00 0.00 C ATOM 892 O TRP A 58 5.540 -6.359 8.572 1.00 0.00 O ATOM 893 CB TRP A 58 2.445 -6.078 7.310 1.00 0.00 C ATOM 894 CG TRP A 58 1.743 -6.743 6.165 1.00 0.00 C ATOM 895 CD1 TRP A 58 1.661 -6.287 4.881 1.00 0.00 C ATOM 896 CD2 TRP A 58 1.024 -7.980 6.201 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.936 -7.167 4.115 1.00 0.00 N ATOM 898 CE2 TRP A 58 0.534 -8.214 4.902 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.747 -8.913 7.204 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -0.216 -9.343 4.582 1.00 0.00 C ATOM 901 CZ3 TRP A 58 0.003 -10.033 6.885 1.00 0.00 C ATOM 902 CH2 TRP A 58 -0.472 -10.240 5.585 1.00 0.00 C ATOM 0 H TRP A 58 3.163 -5.812 9.848 1.00 0.00 H new ATOM 0 HA TRP A 58 2.964 -8.067 7.941 1.00 0.00 H new ATOM 0 HB2 TRP A 58 1.706 -5.593 7.947 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.095 -5.294 6.922 1.00 0.00 H new ATOM 0 HD1 TRP A 58 2.101 -5.369 4.520 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.730 -7.059 3.122 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.108 -8.761 8.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.583 -9.505 3.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.216 -10.761 7.652 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.052 -11.125 5.368 1.00 0.00 H new ATOM 913 N HIS A 59 5.127 -7.423 6.633 1.00 0.00 N ATOM 914 CA HIS A 59 6.511 -7.360 6.179 1.00 0.00 C ATOM 915 C HIS A 59 6.591 -7.468 4.657 1.00 0.00 C ATOM 916 O HIS A 59 7.149 -8.427 4.123 1.00 0.00 O ATOM 917 CB HIS A 59 7.333 -8.475 6.828 1.00 0.00 C ATOM 918 CG HIS A 59 8.812 -8.274 6.709 1.00 0.00 C ATOM 919 ND1 HIS A 59 9.377 -7.258 5.965 1.00 0.00 N ATOM 920 CD2 HIS A 59 9.846 -8.967 7.242 1.00 0.00 C ATOM 921 CE1 HIS A 59 10.693 -7.335 6.047 1.00 0.00 C ATOM 922 NE2 HIS A 59 11.004 -8.363 6.816 1.00 0.00 N ATOM 0 H HIS A 59 4.490 -7.885 5.984 1.00 0.00 H new ATOM 0 HA HIS A 59 6.922 -6.396 6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.068 -8.544 7.883 1.00 0.00 H new ATOM 0 HB3 HIS A 59 7.066 -9.427 6.369 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.774 -9.833 7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.396 -6.670 5.567 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.950 -8.660 7.055 1.00 0.00 H new ATOM 931 N PRO A 60 6.033 -6.481 3.936 1.00 0.00 N ATOM 932 CA PRO A 60 6.045 -6.469 2.468 1.00 0.00 C ATOM 933 C PRO A 60 7.458 -6.556 1.903 1.00 0.00 C ATOM 934 O PRO A 60 8.407 -6.873 2.620 1.00 0.00 O ATOM 935 CB PRO A 60 5.409 -5.122 2.110 1.00 0.00 C ATOM 936 CG PRO A 60 4.606 -4.746 3.307 1.00 0.00 C ATOM 937 CD PRO A 60 5.347 -5.299 4.491 1.00 0.00 C ATOM 0 HA PRO A 60 5.515 -7.326 2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.169 -4.372 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.781 -5.205 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.501 -3.664 3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.600 -5.160 3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.055 -4.576 4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.669 -5.570 5.300 1.00 0.00 H new ATOM 945 N ALA A 61 7.591 -6.271 0.610 1.00 0.00 N ATOM 946 CA ALA A 61 8.889 -6.316 -0.052 1.00 0.00 C ATOM 947 C ALA A 61 9.731 -5.098 0.313 1.00 0.00 C ATOM 948 O ALA A 61 10.953 -5.188 0.428 1.00 0.00 O ATOM 949 CB ALA A 61 8.709 -6.403 -1.560 1.00 0.00 C ATOM 0 H ALA A 61 6.816 -6.007 0.002 1.00 0.00 H new ATOM 0 HA ALA A 61 9.415 -7.207 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.686 -6.436 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.151 -7.306 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.160 -5.529 -1.912 1.00 0.00 H new ATOM 955 N ARG A 62 9.069 -3.961 0.495 1.00 0.00 N ATOM 956 CA ARG A 62 9.754 -2.725 0.848 1.00 0.00 C ATOM 957 C ARG A 62 8.974 -1.959 1.914 1.00 0.00 C ATOM 958 O ARG A 62 7.756 -1.805 1.814 1.00 0.00 O ATOM 959 CB ARG A 62 9.944 -1.849 -0.394 1.00 0.00 C ATOM 960 CG ARG A 62 11.401 -1.646 -0.775 1.00 0.00 C ATOM 961 CD ARG A 62 11.614 -1.789 -2.274 1.00 0.00 C ATOM 962 NE ARG A 62 12.966 -2.244 -2.594 1.00 0.00 N ATOM 963 CZ ARG A 62 13.446 -3.438 -2.256 1.00 0.00 C ATOM 964 NH1 ARG A 62 12.689 -4.300 -1.588 1.00 0.00 N ATOM 965 NH2 ARG A 62 14.686 -3.772 -2.587 1.00 0.00 N ATOM 0 H ARG A 62 8.057 -3.870 0.404 1.00 0.00 H new ATOM 0 HA ARG A 62 10.733 -2.982 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.417 -2.303 -1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.484 -0.877 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.727 -0.657 -0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.020 -2.372 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.889 -2.496 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.430 -0.831 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 62 13.577 -1.609 -3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.734 -4.048 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.062 -5.214 -1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.272 -3.114 -3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.054 -4.687 -2.328 1.00 0.00 H new ATOM 979 N THR A 63 9.682 -1.485 2.933 1.00 0.00 N ATOM 980 CA THR A 63 9.053 -0.739 4.017 1.00 0.00 C ATOM 981 C THR A 63 9.273 0.758 3.849 1.00 0.00 C ATOM 982 O THR A 63 10.061 1.190 3.008 1.00 0.00 O ATOM 983 CB THR A 63 9.599 -1.200 5.369 1.00 0.00 C ATOM 984 OG1 THR A 63 11.007 -1.056 5.415 1.00 0.00 O ATOM 985 CG2 THR A 63 9.276 -2.644 5.684 1.00 0.00 C ATOM 0 H THR A 63 10.690 -1.604 3.031 1.00 0.00 H new ATOM 0 HA THR A 63 7.981 -0.935 3.982 1.00 0.00 H new ATOM 0 HB THR A 63 9.111 -0.566 6.109 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.338 -1.354 6.288 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.692 -2.906 6.657 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.195 -2.779 5.704 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.708 -3.289 4.919 1.00 0.00 H new ATOM 993 N VAL A 64 8.560 1.544 4.651 1.00 0.00 N ATOM 994 CA VAL A 64 8.653 3.001 4.599 1.00 0.00 C ATOM 995 C VAL A 64 8.020 3.543 3.323 1.00 0.00 C ATOM 996 O VAL A 64 7.149 4.412 3.373 1.00 0.00 O ATOM 997 CB VAL A 64 10.113 3.488 4.714 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.190 5.005 4.593 1.00 0.00 C ATOM 999 CG2 VAL A 64 10.715 3.025 6.031 1.00 0.00 C ATOM 0 H VAL A 64 7.906 1.193 5.351 1.00 0.00 H new ATOM 0 HA VAL A 64 8.102 3.386 5.457 1.00 0.00 H new ATOM 0 HB VAL A 64 10.688 3.056 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.229 5.324 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.793 5.314 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.604 5.464 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.745 3.374 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.136 3.433 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.696 1.936 6.077 1.00 0.00 H new ATOM 1009 N SER A 65 8.441 3.013 2.181 1.00 0.00 N ATOM 1010 CA SER A 65 7.889 3.432 0.899 1.00 0.00 C ATOM 1011 C SER A 65 6.382 3.227 0.902 1.00 0.00 C ATOM 1012 O SER A 65 5.615 4.114 0.515 1.00 0.00 O ATOM 1013 CB SER A 65 8.528 2.644 -0.245 1.00 0.00 C ATOM 1014 OG SER A 65 8.345 1.250 -0.071 1.00 0.00 O ATOM 0 H SER A 65 9.161 2.294 2.117 1.00 0.00 H new ATOM 0 HA SER A 65 8.108 4.489 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.091 2.955 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.593 2.870 -0.296 1.00 0.00 H new ATOM 0 HG SER A 65 8.304 0.814 -0.947 1.00 0.00 H new ATOM 1020 N GLN A 66 5.959 2.058 1.372 1.00 0.00 N ATOM 1021 CA GLN A 66 4.543 1.747 1.459 1.00 0.00 C ATOM 1022 C GLN A 66 3.874 2.715 2.423 1.00 0.00 C ATOM 1023 O GLN A 66 2.764 3.189 2.185 1.00 0.00 O ATOM 1024 CB GLN A 66 4.335 0.304 1.924 1.00 0.00 C ATOM 1025 CG GLN A 66 3.187 -0.402 1.220 1.00 0.00 C ATOM 1026 CD GLN A 66 3.556 -0.863 -0.176 1.00 0.00 C ATOM 1027 OE1 GLN A 66 2.986 -0.403 -1.165 1.00 0.00 O ATOM 1028 NE2 GLN A 66 4.515 -1.777 -0.263 1.00 0.00 N ATOM 0 H GLN A 66 6.577 1.315 1.697 1.00 0.00 H new ATOM 0 HA GLN A 66 4.094 1.851 0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.254 -0.259 1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.149 0.300 2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.876 -1.262 1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.332 0.271 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.961 -2.131 0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.806 -2.125 -1.176 1.00 0.00 H new ATOM 1037 N LEU A 67 4.583 3.020 3.508 1.00 0.00 N ATOM 1038 CA LEU A 67 4.092 3.952 4.517 1.00 0.00 C ATOM 1039 C LEU A 67 3.720 5.271 3.868 1.00 0.00 C ATOM 1040 O LEU A 67 2.622 5.793 4.066 1.00 0.00 O ATOM 1041 CB LEU A 67 5.169 4.183 5.579 1.00 0.00 C ATOM 1042 CG LEU A 67 4.663 4.708 6.925 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.033 6.082 6.760 1.00 0.00 C ATOM 1044 CD2 LEU A 67 3.672 3.735 7.539 1.00 0.00 C ATOM 0 H LEU A 67 5.504 2.632 3.710 1.00 0.00 H new ATOM 0 HA LEU A 67 3.207 3.527 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.695 3.243 5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.899 4.890 5.184 1.00 0.00 H new ATOM 0 HG LEU A 67 5.514 4.801 7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.679 6.439 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.774 6.777 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.193 6.017 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.324 4.125 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.823 3.608 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.157 2.772 7.696 1.00 0.00 H new ATOM 1056 N TYR A 68 4.641 5.794 3.077 1.00 0.00 N ATOM 1057 CA TYR A 68 4.416 7.043 2.377 1.00 0.00 C ATOM 1058 C TYR A 68 3.254 6.891 1.407 1.00 0.00 C ATOM 1059 O TYR A 68 2.551 7.855 1.107 1.00 0.00 O ATOM 1060 CB TYR A 68 5.684 7.471 1.637 1.00 0.00 C ATOM 1061 CG TYR A 68 6.833 7.850 2.553 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.802 7.556 3.916 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.951 8.504 2.051 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.852 7.905 4.743 1.00 0.00 C ATOM 1065 CE2 TYR A 68 9.003 8.855 2.875 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.950 8.553 4.219 1.00 0.00 C ATOM 1067 OH TYR A 68 9.998 8.901 5.040 1.00 0.00 O ATOM 0 H TYR A 68 5.553 5.371 2.904 1.00 0.00 H new ATOM 0 HA TYR A 68 4.166 7.817 3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.005 6.658 0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.449 8.320 0.995 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.944 7.048 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.999 8.742 0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.813 7.671 5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.864 9.364 2.468 1.00 0.00 H new ATOM 0 HH TYR A 68 10.692 9.349 4.513 1.00 0.00 H new ATOM 1077 N ASP A 69 3.051 5.667 0.924 1.00 0.00 N ATOM 1078 CA ASP A 69 1.966 5.388 -0.005 1.00 0.00 C ATOM 1079 C ASP A 69 0.612 5.597 0.662 1.00 0.00 C ATOM 1080 O ASP A 69 -0.251 6.292 0.125 1.00 0.00 O ATOM 1081 CB ASP A 69 2.076 3.958 -0.543 1.00 0.00 C ATOM 1082 CG ASP A 69 2.354 3.922 -2.033 1.00 0.00 C ATOM 1083 OD1 ASP A 69 2.958 4.886 -2.548 1.00 0.00 O ATOM 1084 OD2 ASP A 69 1.968 2.929 -2.685 1.00 0.00 O ATOM 0 H ASP A 69 3.623 4.857 1.162 1.00 0.00 H new ATOM 0 HA ASP A 69 2.048 6.084 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.872 3.434 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.150 3.422 -0.336 1.00 0.00 H new ATOM 1089 N HIS A 70 0.434 5.016 1.843 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.823 5.178 2.571 1.00 0.00 C ATOM 1091 C HIS A 70 -0.863 6.549 3.226 1.00 0.00 C ATOM 1092 O HIS A 70 -1.929 7.137 3.407 1.00 0.00 O ATOM 1093 CB HIS A 70 -1.034 4.086 3.635 1.00 0.00 C ATOM 1094 CG HIS A 70 -0.024 2.982 3.617 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.017 2.910 4.515 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.092 1.894 2.821 1.00 0.00 C ATOM 1097 CE1 HIS A 70 1.730 1.827 4.274 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.191 1.191 3.251 1.00 0.00 N ATOM 0 H HIS A 70 1.130 4.437 2.312 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.632 5.083 1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.023 4.553 4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.025 3.654 3.499 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.207 3.589 5.252 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.558 1.628 2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.607 1.514 4.821 1.00 0.00 H new ATOM 1107 N TRP A 71 0.316 7.055 3.571 1.00 0.00 N ATOM 1108 CA TRP A 71 0.436 8.360 4.197 1.00 0.00 C ATOM 1109 C TRP A 71 0.206 9.469 3.174 1.00 0.00 C ATOM 1110 O TRP A 71 -0.277 10.549 3.516 1.00 0.00 O ATOM 1111 CB TRP A 71 1.815 8.506 4.842 1.00 0.00 C ATOM 1112 CG TRP A 71 2.022 9.826 5.520 1.00 0.00 C ATOM 1113 CD1 TRP A 71 3.079 10.674 5.358 1.00 0.00 C ATOM 1114 CD2 TRP A 71 1.149 10.450 6.469 1.00 0.00 C ATOM 1115 NE1 TRP A 71 2.917 11.786 6.147 1.00 0.00 N ATOM 1116 CE2 TRP A 71 1.739 11.672 6.839 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -0.076 10.093 7.041 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 1.147 12.539 7.754 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -0.662 10.955 7.949 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -0.051 12.166 8.298 1.00 0.00 C ATOM 0 H TRP A 71 1.205 6.576 3.425 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.326 8.447 4.972 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.953 7.707 5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.581 8.376 4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 71 3.920 10.496 4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.567 12.569 6.208 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.555 9.161 6.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.617 13.473 8.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.608 10.690 8.397 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.535 12.818 9.010 1.00 0.00 H new ATOM 1131 N ARG A 72 0.545 9.193 1.915 1.00 0.00 N ATOM 1132 CA ARG A 72 0.360 10.171 0.849 1.00 0.00 C ATOM 1133 C ARG A 72 -1.101 10.220 0.423 1.00 0.00 C ATOM 1134 O ARG A 72 -1.653 11.291 0.171 1.00 0.00 O ATOM 1135 CB ARG A 72 1.246 9.834 -0.352 1.00 0.00 C ATOM 1136 CG ARG A 72 2.658 10.384 -0.241 1.00 0.00 C ATOM 1137 CD ARG A 72 3.076 11.115 -1.507 1.00 0.00 C ATOM 1138 NE ARG A 72 3.578 10.198 -2.527 1.00 0.00 N ATOM 1139 CZ ARG A 72 4.713 9.512 -2.415 1.00 0.00 C ATOM 1140 NH1 ARG A 72 5.465 9.635 -1.326 1.00 0.00 N ATOM 1141 NH2 ARG A 72 5.099 8.701 -3.390 1.00 0.00 N ATOM 0 H ARG A 72 0.946 8.306 1.612 1.00 0.00 H new ATOM 0 HA ARG A 72 0.649 11.150 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.295 8.751 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.782 10.227 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.718 11.064 0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.353 9.567 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.225 11.668 -1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.847 11.846 -1.266 1.00 0.00 H new ATOM 0 HE ARG A 72 3.026 10.076 -3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.173 10.257 -0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.334 9.107 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.526 8.602 -4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.969 8.176 -3.302 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.722 9.048 0.349 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.116 8.971 -0.041 1.00 0.00 C ATOM 1157 C GLY A 73 -4.044 9.480 1.045 1.00 0.00 C ATOM 1158 O GLY A 73 -5.135 9.973 0.758 1.00 0.00 O ATOM 0 H GLY A 73 -1.284 8.150 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.270 9.553 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.369 7.937 -0.277 1.00 0.00 H new ATOM 1162 N THR A 74 -3.608 9.362 2.296 1.00 0.00 N ATOM 1163 CA THR A 74 -4.406 9.815 3.429 1.00 0.00 C ATOM 1164 C THR A 74 -4.342 11.332 3.567 1.00 0.00 C ATOM 1165 O THR A 74 -5.368 11.996 3.716 1.00 0.00 O ATOM 1166 CB THR A 74 -3.922 9.153 4.718 1.00 0.00 C ATOM 1167 OG1 THR A 74 -2.506 9.139 4.773 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.402 7.726 4.877 1.00 0.00 C ATOM 0 H THR A 74 -2.707 8.957 2.550 1.00 0.00 H new ATOM 0 HA THR A 74 -5.442 9.528 3.249 1.00 0.00 H new ATOM 0 HB THR A 74 -4.343 9.752 5.525 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.167 8.368 4.273 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.022 7.316 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.492 7.708 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.038 7.125 4.044 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.129 11.875 3.517 1.00 0.00 N ATOM 1177 CA LEU A 75 -2.932 13.315 3.636 1.00 0.00 C ATOM 1178 C LEU A 75 -1.649 13.750 2.934 1.00 0.00 C ATOM 1179 O LEU A 75 -0.628 13.992 3.579 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.884 13.722 5.111 1.00 0.00 C ATOM 1181 CG LEU A 75 -4.247 13.886 5.782 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -4.084 14.135 7.273 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -5.027 15.018 5.132 1.00 0.00 C ATOM 0 H LEU A 75 -2.269 11.340 3.395 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.773 13.813 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.314 12.973 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.339 14.662 5.195 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.809 12.961 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.066 14.249 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.566 13.291 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.503 15.044 7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.995 15.121 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.469 15.949 5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.177 14.797 4.075 1.00 0.00 H new ATOM 1195 N ARG A 76 -1.707 13.849 1.611 1.00 0.00 N ATOM 1196 CA ARG A 76 -0.548 14.256 0.824 1.00 0.00 C ATOM 1197 C ARG A 76 -0.255 15.739 1.013 1.00 0.00 C ATOM 1198 O ARG A 76 -1.163 16.570 1.002 1.00 0.00 O ATOM 1199 CB ARG A 76 -0.778 13.951 -0.659 1.00 0.00 C ATOM 1200 CG ARG A 76 0.397 13.252 -1.323 1.00 0.00 C ATOM 1201 CD ARG A 76 0.101 12.918 -2.776 1.00 0.00 C ATOM 1202 NE ARG A 76 -1.024 11.994 -2.906 1.00 0.00 N ATOM 1203 CZ ARG A 76 -1.026 10.922 -3.698 1.00 0.00 C ATOM 1204 NH1 ARG A 76 0.031 10.630 -4.448 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -2.095 10.138 -3.744 1.00 0.00 N ATOM 0 H ARG A 76 -2.543 13.653 1.061 1.00 0.00 H new ATOM 0 HA ARG A 76 0.314 13.688 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.666 13.327 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.981 14.883 -1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.279 13.890 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.631 12.337 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.118 13.836 -3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.987 12.478 -3.235 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.862 12.182 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.856 11.229 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.017 9.807 -5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.912 10.356 -3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.100 9.317 -4.349 1.00 0.00 H new ATOM 1219 N TYR A 77 1.022 16.068 1.188 1.00 0.00 N ATOM 1220 CA TYR A 77 1.437 17.452 1.380 1.00 0.00 C ATOM 1221 C TYR A 77 2.705 17.756 0.589 1.00 0.00 C ATOM 1222 O TYR A 77 3.813 17.679 1.118 1.00 0.00 O ATOM 1223 CB TYR A 77 1.668 17.736 2.866 1.00 0.00 C ATOM 1224 CG TYR A 77 1.130 19.075 3.319 1.00 0.00 C ATOM 1225 CD1 TYR A 77 1.511 20.249 2.681 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.241 19.165 4.384 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.022 21.475 3.093 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -0.252 20.385 4.800 1.00 0.00 C ATOM 1229 CZ TYR A 77 0.142 21.538 4.151 1.00 0.00 C ATOM 1230 OH TYR A 77 -0.348 22.756 4.563 1.00 0.00 O ATOM 0 H TYR A 77 1.787 15.393 1.201 1.00 0.00 H new ATOM 0 HA TYR A 77 0.639 18.098 1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.199 16.948 3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.737 17.695 3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.200 20.203 1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.069 18.265 4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.329 22.379 2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.942 20.437 5.629 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.957 22.625 5.319 1.00 0.00 H new ATOM 1240 N LYS A 78 2.534 18.100 -0.683 1.00 0.00 N ATOM 1241 CA LYS A 78 3.665 18.414 -1.548 1.00 0.00 C ATOM 1242 C LYS A 78 3.621 19.873 -1.993 1.00 0.00 C ATOM 1243 O LYS A 78 4.579 20.620 -1.799 1.00 0.00 O ATOM 1244 CB LYS A 78 3.667 17.496 -2.772 1.00 0.00 C ATOM 1245 CG LYS A 78 5.049 17.268 -3.358 1.00 0.00 C ATOM 1246 CD LYS A 78 4.971 16.682 -4.759 1.00 0.00 C ATOM 1247 CE LYS A 78 6.056 15.641 -4.990 1.00 0.00 C ATOM 1248 NZ LYS A 78 7.419 16.219 -4.842 1.00 0.00 N ATOM 0 H LYS A 78 1.623 18.168 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 78 4.581 18.253 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.236 16.534 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.022 17.925 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.593 18.212 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.613 16.595 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.992 16.228 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.069 17.481 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.930 14.822 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.947 15.218 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.128 15.518 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.503 17.068 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.581 16.476 -3.847 1.00 0.00 H new ATOM 1262 N VAL A 79 2.501 20.270 -2.589 1.00 0.00 N ATOM 1263 CA VAL A 79 2.330 21.638 -3.062 1.00 0.00 C ATOM 1264 C VAL A 79 0.958 22.181 -2.682 1.00 0.00 C ATOM 1265 O VAL A 79 0.840 23.289 -2.158 1.00 0.00 O ATOM 1266 CB VAL A 79 2.502 21.731 -4.590 1.00 0.00 C ATOM 1267 CG1 VAL A 79 3.963 21.566 -4.975 1.00 0.00 C ATOM 1268 CG2 VAL A 79 1.639 20.691 -5.288 1.00 0.00 C ATOM 0 H VAL A 79 1.698 19.663 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 79 3.102 22.238 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 79 2.175 22.719 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.064 21.635 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.554 22.352 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.320 20.593 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.773 20.771 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.933 19.694 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.592 20.861 -5.039 1.00 0.00 H new ATOM 1278 N ILE A 80 -0.078 21.393 -2.947 1.00 0.00 N ATOM 1279 CA ILE A 80 -1.444 21.790 -2.633 1.00 0.00 C ATOM 1280 C ILE A 80 -2.145 20.723 -1.799 1.00 0.00 C ATOM 1281 O ILE A 80 -1.930 19.527 -1.998 1.00 0.00 O ATOM 1282 CB ILE A 80 -2.265 22.049 -3.912 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -1.519 23.007 -4.841 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -3.637 22.607 -3.559 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -1.665 22.661 -6.308 1.00 0.00 C ATOM 0 H ILE A 80 0.004 20.473 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.381 22.715 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.402 21.101 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.886 24.020 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.461 23.005 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.204 22.784 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.171 21.891 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.520 23.545 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.110 23.382 -6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.271 21.660 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.719 22.691 -6.586 1.00 0.00 H new ATOM 1297 N GLN A 81 -2.981 21.162 -0.865 1.00 0.00 N ATOM 1298 CA GLN A 81 -3.711 20.242 -0.002 1.00 0.00 C ATOM 1299 C GLN A 81 -4.682 19.388 -0.814 1.00 0.00 C ATOM 1300 O GLN A 81 -5.864 19.710 -0.926 1.00 0.00 O ATOM 1301 CB GLN A 81 -4.468 21.017 1.080 1.00 0.00 C ATOM 1302 CG GLN A 81 -4.132 20.571 2.494 1.00 0.00 C ATOM 1303 CD GLN A 81 -5.248 19.768 3.133 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -6.426 20.086 2.975 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -4.881 18.719 3.859 1.00 0.00 N ATOM 0 H GLN A 81 -3.170 22.148 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.990 19.579 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.243 22.079 0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.539 20.901 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.222 19.971 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.923 21.447 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.892 18.492 3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.588 18.140 4.312 1.00 0.00 H new ATOM 1314 N GLN A 82 -4.171 18.299 -1.381 1.00 0.00 N ATOM 1315 CA GLN A 82 -4.990 17.399 -2.185 1.00 0.00 C ATOM 1316 C GLN A 82 -5.547 18.116 -3.411 1.00 0.00 C ATOM 1317 O GLN A 82 -5.780 19.324 -3.381 1.00 0.00 O ATOM 1318 CB GLN A 82 -6.137 16.831 -1.346 1.00 0.00 C ATOM 1319 CG GLN A 82 -6.641 15.484 -1.837 1.00 0.00 C ATOM 1320 CD GLN A 82 -6.937 14.524 -0.702 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -8.092 14.185 -0.445 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -5.891 14.080 -0.015 1.00 0.00 N ATOM 0 H GLN A 82 -3.194 18.019 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.357 16.579 -2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.805 16.731 -0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.964 17.541 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.545 15.632 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.897 15.041 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.950 14.387 -0.263 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.028 13.432 0.760 1.00 0.00 H new ATOM 1331 N GLN A 83 -5.758 17.363 -4.485 1.00 0.00 N ATOM 1332 CA GLN A 83 -6.288 17.927 -5.721 1.00 0.00 C ATOM 1333 C GLN A 83 -7.420 17.064 -6.272 1.00 0.00 C ATOM 1334 O GLN A 83 -7.200 16.203 -7.124 1.00 0.00 O ATOM 1335 CB GLN A 83 -5.178 18.056 -6.766 1.00 0.00 C ATOM 1336 CG GLN A 83 -3.975 18.848 -6.279 1.00 0.00 C ATOM 1337 CD GLN A 83 -2.661 18.138 -6.544 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -2.425 17.039 -6.042 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -1.798 18.765 -7.334 1.00 0.00 N ATOM 0 H GLN A 83 -5.570 16.361 -4.525 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.684 18.917 -5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.851 17.059 -7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.583 18.536 -7.657 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.963 19.821 -6.770 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.075 19.032 -5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.036 19.675 -7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.897 18.337 -7.547 1.00 0.00 H new ATOM 1348 N GLY A 84 -8.631 17.303 -5.778 1.00 0.00 N ATOM 1349 CA GLY A 84 -9.779 16.540 -6.232 1.00 0.00 C ATOM 1350 C GLY A 84 -10.983 17.418 -6.514 1.00 0.00 C ATOM 1351 O GLY A 84 -10.898 18.644 -6.430 1.00 0.00 O ATOM 0 H GLY A 84 -8.837 18.010 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.513 15.992 -7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.042 15.800 -5.476 1.00 0.00 H new ATOM 1355 N TYR A 85 -12.106 16.792 -6.848 1.00 0.00 N ATOM 1356 CA TYR A 85 -13.331 17.525 -7.144 1.00 0.00 C ATOM 1357 C TYR A 85 -14.369 17.314 -6.047 1.00 0.00 C ATOM 1358 O TYR A 85 -14.795 16.189 -5.790 1.00 0.00 O ATOM 1359 CB TYR A 85 -13.902 17.083 -8.493 1.00 0.00 C ATOM 1360 CG TYR A 85 -14.793 18.120 -9.142 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -16.092 18.326 -8.691 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -14.337 18.892 -10.202 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -16.910 19.271 -9.280 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -15.148 19.840 -10.796 1.00 0.00 C ATOM 1365 CZ TYR A 85 -16.433 20.026 -10.332 1.00 0.00 C ATOM 1366 OH TYR A 85 -17.244 20.968 -10.920 1.00 0.00 O ATOM 0 H TYR A 85 -12.193 15.778 -6.921 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.087 18.586 -7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.079 16.850 -9.168 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -14.470 16.163 -8.354 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -16.468 17.738 -7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -13.331 18.749 -10.569 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -17.917 19.418 -8.919 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.777 20.432 -11.620 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.757 21.413 -11.645 1.00 0.00 H new ATOM 1376 N ARG A 86 -14.770 18.405 -5.401 1.00 0.00 N ATOM 1377 CA ARG A 86 -15.755 18.340 -4.329 1.00 0.00 C ATOM 1378 C ARG A 86 -15.256 17.464 -3.184 1.00 0.00 C ATOM 1379 O ARG A 86 -15.636 16.300 -3.068 1.00 0.00 O ATOM 1380 CB ARG A 86 -17.083 17.796 -4.861 1.00 0.00 C ATOM 1381 CG ARG A 86 -18.303 18.402 -4.188 1.00 0.00 C ATOM 1382 CD ARG A 86 -18.656 19.755 -4.785 1.00 0.00 C ATOM 1383 NE ARG A 86 -20.099 19.927 -4.934 1.00 0.00 N ATOM 1384 CZ ARG A 86 -20.811 19.393 -5.923 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -20.219 18.653 -6.854 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -22.119 19.599 -5.985 1.00 0.00 N ATOM 0 H ARG A 86 -14.427 19.344 -5.602 1.00 0.00 H new ATOM 0 HA ARG A 86 -15.909 19.350 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.139 17.984 -5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -17.103 16.715 -4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.151 17.725 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.113 18.513 -3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -18.260 20.547 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -18.176 19.858 -5.758 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.590 20.490 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -19.213 18.491 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.771 18.247 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.580 20.167 -5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -22.664 19.189 -6.743 1.00 0.00 H new ATOM 1400 N GLY A 87 -14.398 18.033 -2.343 1.00 0.00 N ATOM 1401 CA GLY A 87 -13.858 17.291 -1.220 1.00 0.00 C ATOM 1402 C GLY A 87 -14.858 17.131 -0.091 1.00 0.00 C ATOM 1403 O GLY A 87 -14.875 17.923 0.850 1.00 0.00 O ATOM 0 H GLY A 87 -14.067 18.995 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -13.539 16.306 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.971 17.801 -0.845 1.00 0.00 H new ATOM 1407 N LYS A 88 -15.693 16.101 -0.185 1.00 0.00 N ATOM 1408 CA LYS A 88 -16.700 15.837 0.836 1.00 0.00 C ATOM 1409 C LYS A 88 -17.350 14.475 0.621 1.00 0.00 C ATOM 1410 O LYS A 88 -17.208 13.868 -0.441 1.00 0.00 O ATOM 1411 CB LYS A 88 -17.769 16.932 0.824 1.00 0.00 C ATOM 1412 CG LYS A 88 -18.482 17.101 2.157 1.00 0.00 C ATOM 1413 CD LYS A 88 -19.939 16.673 2.072 1.00 0.00 C ATOM 1414 CE LYS A 88 -20.866 17.871 1.937 1.00 0.00 C ATOM 1415 NZ LYS A 88 -22.090 17.723 2.771 1.00 0.00 N ATOM 0 H LYS A 88 -15.692 15.436 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 88 -16.204 15.833 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -17.305 17.879 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -18.505 16.701 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.973 16.511 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -18.426 18.144 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -20.075 16.009 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -20.205 16.105 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.334 18.776 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -21.151 17.993 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -22.695 18.560 2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -22.611 16.873 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.820 17.632 3.771 1.00 0.00 H new ATOM 1429 N ASN A 89 -18.065 13.999 1.636 1.00 0.00 N ATOM 1430 CA ASN A 89 -18.737 12.707 1.559 1.00 0.00 C ATOM 1431 C ASN A 89 -17.732 11.585 1.332 1.00 0.00 C ATOM 1432 O ASN A 89 -17.406 11.250 0.191 1.00 0.00 O ATOM 1433 CB ASN A 89 -19.775 12.716 0.435 1.00 0.00 C ATOM 1434 CG ASN A 89 -21.051 11.995 0.821 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -21.268 11.676 1.991 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -21.904 11.732 -0.161 1.00 0.00 N ATOM 0 H ASN A 89 -18.194 14.489 2.521 1.00 0.00 H new ATOM 0 HA ASN A 89 -19.242 12.530 2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -20.010 13.747 0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -19.350 12.247 -0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -22.779 11.248 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -21.685 12.014 -1.116 1.00 0.00 H new ATOM 1443 N SER A 90 -17.244 11.003 2.423 1.00 0.00 N ATOM 1444 CA SER A 90 -16.274 9.916 2.342 1.00 0.00 C ATOM 1445 C SER A 90 -16.857 8.624 2.909 1.00 0.00 C ATOM 1446 O SER A 90 -17.567 8.640 3.913 1.00 0.00 O ATOM 1447 CB SER A 90 -14.997 10.287 3.098 1.00 0.00 C ATOM 1448 OG SER A 90 -14.847 11.694 3.184 1.00 0.00 O ATOM 0 H SER A 90 -17.504 11.266 3.374 1.00 0.00 H new ATOM 0 HA SER A 90 -16.032 9.755 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.026 9.859 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.133 9.856 2.592 1.00 0.00 H new ATOM 0 HG SER A 90 -14.025 11.906 3.673 1.00 0.00 H new ATOM 1454 N VAL A 91 -16.549 7.507 2.257 1.00 0.00 N ATOM 1455 CA VAL A 91 -17.042 6.206 2.696 1.00 0.00 C ATOM 1456 C VAL A 91 -16.009 5.113 2.439 1.00 0.00 C ATOM 1457 O VAL A 91 -15.138 5.259 1.580 1.00 0.00 O ATOM 1458 CB VAL A 91 -18.354 5.834 1.984 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -19.469 6.788 2.384 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -18.162 5.829 0.475 1.00 0.00 C ATOM 0 H VAL A 91 -15.961 7.477 1.424 1.00 0.00 H new ATOM 0 HA VAL A 91 -17.228 6.282 3.767 1.00 0.00 H new ATOM 0 HB VAL A 91 -18.640 4.829 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -20.389 6.509 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -19.625 6.734 3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -19.194 7.806 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -19.101 5.564 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -17.850 6.820 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -17.397 5.100 0.208 1.00 0.00 H new ATOM 1470 N ALA A 92 -16.113 4.019 3.185 1.00 0.00 N ATOM 1471 CA ALA A 92 -15.188 2.902 3.037 1.00 0.00 C ATOM 1472 C ALA A 92 -15.759 1.630 3.651 1.00 0.00 C ATOM 1473 O ALA A 92 -16.850 1.639 4.224 1.00 0.00 O ATOM 1474 CB ALA A 92 -13.848 3.240 3.671 1.00 0.00 C ATOM 0 H ALA A 92 -16.829 3.882 3.899 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.040 2.724 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.167 2.397 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.426 4.119 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.989 3.447 4.732 1.00 0.00 H new ATOM 1480 N ALA A 93 -15.017 0.534 3.529 1.00 0.00 N ATOM 1481 CA ALA A 93 -15.447 -0.748 4.073 1.00 0.00 C ATOM 1482 C ALA A 93 -14.570 -1.170 5.247 1.00 0.00 C ATOM 1483 O ALA A 93 -13.596 -1.901 5.074 1.00 0.00 O ATOM 1484 CB ALA A 93 -15.427 -1.815 2.989 1.00 0.00 C ATOM 0 H ALA A 93 -14.113 0.509 3.057 1.00 0.00 H new ATOM 0 HA ALA A 93 -16.468 -0.634 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -15.750 -2.767 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.101 -1.527 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.415 -1.917 2.597 1.00 0.00 H new ATOM 1490 N ARG A 94 -14.925 -0.702 6.440 1.00 0.00 N ATOM 1491 CA ARG A 94 -14.171 -1.028 7.648 1.00 0.00 C ATOM 1492 C ARG A 94 -12.744 -0.492 7.565 1.00 0.00 C ATOM 1493 O ARG A 94 -12.431 0.556 8.130 1.00 0.00 O ATOM 1494 CB ARG A 94 -14.151 -2.542 7.873 1.00 0.00 C ATOM 1495 CG ARG A 94 -15.367 -3.063 8.623 1.00 0.00 C ATOM 1496 CD ARG A 94 -16.282 -3.870 7.715 1.00 0.00 C ATOM 1497 NE ARG A 94 -16.845 -5.032 8.399 1.00 0.00 N ATOM 1498 CZ ARG A 94 -17.842 -5.769 7.912 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -18.386 -5.467 6.740 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -18.294 -6.809 8.598 1.00 0.00 N ATOM 0 H ARG A 94 -15.730 -0.096 6.597 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.668 -0.551 8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.088 -3.043 6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.251 -2.806 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.042 -3.684 9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.921 -2.225 9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.091 -3.233 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.724 -4.200 6.839 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.451 -5.294 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.041 -4.668 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.149 -6.034 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.878 -7.045 9.499 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.057 -7.373 8.225 1.00 0.00 H new ATOM 1514 N SER A 95 -11.881 -1.216 6.859 1.00 0.00 N ATOM 1515 CA SER A 95 -10.488 -0.812 6.703 1.00 0.00 C ATOM 1516 C SER A 95 -10.133 -0.637 5.227 1.00 0.00 C ATOM 1517 O SER A 95 -9.908 -1.616 4.517 1.00 0.00 O ATOM 1518 CB SER A 95 -9.563 -1.849 7.342 1.00 0.00 C ATOM 1519 OG SER A 95 -9.872 -3.157 6.891 1.00 0.00 O ATOM 0 H SER A 95 -12.122 -2.087 6.385 1.00 0.00 H new ATOM 0 HA SER A 95 -10.354 0.146 7.206 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.526 -1.614 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.656 -1.804 8.427 1.00 0.00 H new ATOM 0 HG SER A 95 -9.911 -3.165 5.912 1.00 0.00 H new ATOM 1525 N PRO A 96 -10.076 0.617 4.743 1.00 0.00 N ATOM 1526 CA PRO A 96 -9.745 0.907 3.344 1.00 0.00 C ATOM 1527 C PRO A 96 -8.460 0.215 2.900 1.00 0.00 C ATOM 1528 O PRO A 96 -7.831 -0.504 3.675 1.00 0.00 O ATOM 1529 CB PRO A 96 -9.568 2.426 3.326 1.00 0.00 C ATOM 1530 CG PRO A 96 -10.394 2.918 4.463 1.00 0.00 C ATOM 1531 CD PRO A 96 -10.328 1.849 5.518 1.00 0.00 C ATOM 0 HA PRO A 96 -10.514 0.548 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -8.521 2.704 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.903 2.852 2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.010 3.865 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.423 3.094 4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.531 2.042 6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.258 1.785 6.083 1.00 0.00 H new ATOM 1539 N GLU A 97 -8.077 0.439 1.648 1.00 0.00 N ATOM 1540 CA GLU A 97 -6.867 -0.163 1.102 1.00 0.00 C ATOM 1541 C GLU A 97 -6.361 0.625 -0.101 1.00 0.00 C ATOM 1542 O GLU A 97 -5.365 1.344 -0.010 1.00 0.00 O ATOM 1543 CB GLU A 97 -7.133 -1.616 0.701 1.00 0.00 C ATOM 1544 CG GLU A 97 -6.824 -2.616 1.801 1.00 0.00 C ATOM 1545 CD GLU A 97 -6.078 -3.834 1.292 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -6.743 -4.804 0.869 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -4.829 -3.819 1.314 1.00 0.00 O ATOM 0 H GLU A 97 -8.586 1.032 0.993 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.099 -0.141 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.179 -1.719 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.534 -1.857 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.230 -2.128 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.755 -2.935 2.269 1.00 0.00 H new ATOM 1554 N LYS A 98 -7.050 0.487 -1.228 1.00 0.00 N ATOM 1555 CA LYS A 98 -6.670 1.186 -2.448 1.00 0.00 C ATOM 1556 C LYS A 98 -7.759 1.062 -3.509 1.00 0.00 C ATOM 1557 O LYS A 98 -8.088 2.033 -4.191 1.00 0.00 O ATOM 1558 CB LYS A 98 -5.350 0.632 -2.987 1.00 0.00 C ATOM 1559 CG LYS A 98 -5.298 -0.888 -3.025 1.00 0.00 C ATOM 1560 CD LYS A 98 -5.345 -1.413 -4.452 1.00 0.00 C ATOM 1561 CE LYS A 98 -5.266 -2.932 -4.491 1.00 0.00 C ATOM 1562 NZ LYS A 98 -6.528 -3.539 -5.001 1.00 0.00 N ATOM 0 H LYS A 98 -7.876 -0.104 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.542 2.241 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.187 1.018 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.531 1.000 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.386 -1.234 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.135 -1.296 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.267 -1.083 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.519 -0.990 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.434 -3.236 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.059 -3.311 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.329 -4.487 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.216 -3.613 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.920 -2.941 -5.756 1.00 0.00 H new ATOM 1576 N ALA A 99 -8.313 -0.139 -3.643 1.00 0.00 N ATOM 1577 CA ALA A 99 -9.365 -0.390 -4.620 1.00 0.00 C ATOM 1578 C ALA A 99 -10.330 -1.462 -4.124 1.00 0.00 C ATOM 1579 O ALA A 99 -11.491 -1.180 -3.830 1.00 0.00 O ATOM 1580 CB ALA A 99 -8.760 -0.797 -5.954 1.00 0.00 C ATOM 0 H ALA A 99 -8.051 -0.953 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.928 0.533 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.557 -0.981 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.117 0.003 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.171 -1.705 -5.825 1.00 0.00 H new ATOM 1586 N SER A 100 -9.842 -2.695 -4.035 1.00 0.00 N ATOM 1587 CA SER A 100 -10.661 -3.810 -3.575 1.00 0.00 C ATOM 1588 C SER A 100 -9.792 -4.932 -3.020 1.00 0.00 C ATOM 1589 O SER A 100 -9.781 -5.186 -1.815 1.00 0.00 O ATOM 1590 CB SER A 100 -11.529 -4.338 -4.719 1.00 0.00 C ATOM 1591 OG SER A 100 -12.832 -4.660 -4.266 1.00 0.00 O ATOM 0 H SER A 100 -8.883 -2.947 -4.275 1.00 0.00 H new ATOM 0 HA SER A 100 -11.307 -3.448 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.590 -3.589 -5.508 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.063 -5.222 -5.154 1.00 0.00 H new ATOM 0 HG SER A 100 -13.366 -4.993 -5.017 1.00 0.00 H new ATOM 1597 N ASN A 101 -9.063 -5.604 -3.906 1.00 0.00 N ATOM 1598 CA ASN A 101 -8.188 -6.699 -3.505 1.00 0.00 C ATOM 1599 C ASN A 101 -6.846 -6.613 -4.224 1.00 0.00 C ATOM 1600 O ASN A 101 -5.802 -6.444 -3.592 1.00 0.00 O ATOM 1601 CB ASN A 101 -8.853 -8.045 -3.803 1.00 0.00 C ATOM 1602 CG ASN A 101 -8.378 -9.143 -2.872 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -8.303 -8.954 -1.657 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -8.054 -10.299 -3.438 1.00 0.00 N ATOM 0 H ASN A 101 -9.061 -5.409 -4.907 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.012 -6.617 -2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.934 -7.940 -3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.643 -8.330 -4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.728 -11.075 -2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.132 -10.411 -4.449 1.00 0.00 H new ATOM 1611 N MET A 102 -6.880 -6.732 -5.548 1.00 0.00 N ATOM 1612 CA MET A 102 -5.666 -6.668 -6.351 1.00 0.00 C ATOM 1613 C MET A 102 -5.885 -5.820 -7.600 1.00 0.00 C ATOM 1614 O MET A 102 -5.119 -4.898 -7.879 1.00 0.00 O ATOM 1615 CB MET A 102 -5.213 -8.075 -6.746 1.00 0.00 C ATOM 1616 CG MET A 102 -6.333 -8.944 -7.298 1.00 0.00 C ATOM 1617 SD MET A 102 -6.305 -9.051 -9.098 1.00 0.00 S ATOM 1618 CE MET A 102 -7.669 -10.174 -9.393 1.00 0.00 C ATOM 0 H MET A 102 -7.735 -6.873 -6.086 1.00 0.00 H new ATOM 0 HA MET A 102 -4.886 -6.201 -5.749 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.423 -7.997 -7.493 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.780 -8.566 -5.875 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.252 -9.946 -6.877 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.293 -8.540 -6.977 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.779 -10.340 -10.465 1.00 0.00 H new ATOM 0 HE2 MET A 102 -7.472 -11.124 -8.897 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.588 -9.742 -8.997 1.00 0.00 H new ATOM 1628 N GLU A 103 -6.935 -6.139 -8.352 1.00 0.00 N ATOM 1629 CA GLU A 103 -7.255 -5.408 -9.572 1.00 0.00 C ATOM 1630 C GLU A 103 -8.485 -5.998 -10.254 1.00 0.00 C ATOM 1631 O GLU A 103 -8.584 -7.212 -10.432 1.00 0.00 O ATOM 1632 CB GLU A 103 -6.064 -5.426 -10.535 1.00 0.00 C ATOM 1633 CG GLU A 103 -5.244 -4.146 -10.512 1.00 0.00 C ATOM 1634 CD GLU A 103 -3.752 -4.410 -10.434 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -3.331 -5.536 -10.766 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -3.007 -3.488 -10.041 1.00 0.00 O ATOM 0 H GLU A 103 -7.579 -6.900 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.474 -4.376 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.417 -6.267 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.429 -5.596 -11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.460 -3.564 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.547 -3.540 -9.658 1.00 0.00 H new ATOM 1643 N ASN A 104 -9.421 -5.133 -10.631 1.00 0.00 N ATOM 1644 CA ASN A 104 -10.645 -5.569 -11.291 1.00 0.00 C ATOM 1645 C ASN A 104 -10.551 -5.370 -12.801 1.00 0.00 C ATOM 1646 O ASN A 104 -11.535 -5.027 -13.455 1.00 0.00 O ATOM 1647 CB ASN A 104 -11.848 -4.801 -10.738 1.00 0.00 C ATOM 1648 CG ASN A 104 -13.074 -5.680 -10.584 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -13.793 -5.593 -9.588 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -13.319 -6.534 -11.570 1.00 0.00 N ATOM 0 H ASN A 104 -9.354 -4.125 -10.490 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.777 -6.632 -11.091 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -11.588 -4.372 -9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.082 -3.970 -11.403 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.129 -7.151 -11.520 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -12.697 -6.573 -12.377 1.00 0.00 H new ATOM 1657 N ASN A 105 -9.358 -5.588 -13.349 1.00 0.00 N ATOM 1658 CA ASN A 105 -9.134 -5.432 -14.781 1.00 0.00 C ATOM 1659 C ASN A 105 -8.706 -6.750 -15.415 1.00 0.00 C ATOM 1660 O ASN A 105 -7.907 -6.770 -16.352 1.00 0.00 O ATOM 1661 CB ASN A 105 -8.073 -4.360 -15.039 1.00 0.00 C ATOM 1662 CG ASN A 105 -8.123 -3.824 -16.456 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -9.197 -3.692 -17.045 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -6.958 -3.512 -17.014 1.00 0.00 N ATOM 0 H ASN A 105 -8.533 -5.873 -12.822 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.074 -5.121 -15.237 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.214 -3.538 -14.338 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.085 -4.778 -14.846 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.930 -3.147 -17.966 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.092 -3.637 -16.490 1.00 0.00 H new ATOM 1671 N GLU A 106 -9.242 -7.852 -14.899 1.00 0.00 N ATOM 1672 CA GLU A 106 -8.915 -9.175 -15.415 1.00 0.00 C ATOM 1673 C GLU A 106 -10.180 -9.987 -15.673 1.00 0.00 C ATOM 1674 O GLU A 106 -11.254 -9.371 -15.842 1.00 0.00 O ATOM 1675 CB GLU A 106 -8.003 -9.919 -14.435 1.00 0.00 C ATOM 1676 CG GLU A 106 -6.712 -10.421 -15.063 1.00 0.00 C ATOM 1677 CD GLU A 106 -6.794 -11.877 -15.480 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -7.618 -12.197 -16.362 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -6.035 -12.696 -14.922 1.00 0.00 O ATOM 1680 OXT GLU A 106 -10.088 -11.233 -15.702 1.00 0.00 O ATOM 0 H GLU A 106 -9.905 -7.854 -14.124 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.389 -9.048 -16.361 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.759 -9.256 -13.605 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.547 -10.766 -14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.475 -9.810 -15.934 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.894 -10.296 -14.353 1.00 0.00 H new TER 1687 GLU A 106