USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN :FLIP amide:sc= -1.86 F(o=-31!,f=-26) USER MOD Set 1.2: A 62 HIS :FLIP no HE2:sc= -10.2! C(o=-28!,f=-26!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -14.1! C(o=-29!,f=-26!) USER MOD Set 1.4: A 109 TYR OH : rot -136:sc= 0.0185 USER MOD Single : A 1 VAL N :NH3+ -175:sc= -0.738 (180deg=-0.875) USER MOD Single : A 4 SER OG : rot 180:sc= 0.102 USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= -0.046 (180deg=-1.05) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 119:sc= 1.12 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00962 USER MOD Single : A 19 GLN :FLIP amide:sc= -10.2! C(o=-11!,f=-10!) USER MOD Single : A 25 ASN :FLIP amide:sc= -9.67! C(o=-11!,f=-9.7!) USER MOD Single : A 26 MET CE :methyl -161:sc= -12! (180deg=-12.1!) USER MOD Single : A 28 MET CE :methyl 154:sc= -12.3! (180deg=-15.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -0.494 (180deg=-2.01!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.918 K(o=-0.92,f=-2.2!) USER MOD Single : A 40 TYR OH : rot 150:sc= 0.0379 USER MOD Single : A 44 CYS SG : rot 34:sc= -4.9! USER MOD Single : A 45 TYR OH : rot -15:sc= -3.42! USER MOD Single : A 49 SER OG : rot 154:sc= -1.29! USER MOD Single : A 50 THR OG1 : rot -134:sc= -0.711! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 27:sc= -0.818 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -173:sc= -2.1! USER MOD Single : A 63 TYR OH : rot 180:sc= -4.7! USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= -0.346 (180deg=-1.63!) USER MOD Single : A 68 ASN :FLIP amide:sc= -4.72! C(o=-5.4!,f=-4.7!) USER MOD Single : A 69 SER OG : rot -110:sc= -3.54! USER MOD Single : A 70 SER OG : rot 122:sc= 0.809 USER MOD Single : A 71 GLN : amide:sc= -0.489 K(o=-0.49,f=-1.6!) USER MOD Single : A 74 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.83) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 87:sc= -5.02! USER MOD Single : A 82 THR OG1 : rot 67:sc= 0.129 USER MOD Single : A 83 GLN : amide:sc= -0.325 K(o=-0.32,f=-3.2!) USER MOD Single : A 84 MET CE :methyl -110:sc= -0.304 (180deg=-1.62) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 36:sc= 0.688! USER MOD Single : A 94 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 99 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 101 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.0069) USER MOD Single : A 103 SER OG : rot 180:sc= -0.199 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.75) USER MOD Single : A 123 SER OG : rot 180:sc= -1.05! USER MOD Single : A 125 MET CE :methyl -153:sc= -0.0431 (180deg=-0.453) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.613 -17.819 -28.659 1.00 0.00 N ATOM 2 CA VAL A 1 14.062 -18.110 -28.472 1.00 0.00 C ATOM 3 C VAL A 1 14.873 -16.836 -28.714 1.00 0.00 C ATOM 4 O VAL A 1 16.008 -16.883 -29.144 1.00 0.00 O ATOM 5 CB VAL A 1 14.499 -19.188 -29.466 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.988 -19.483 -29.278 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.693 -20.466 -29.219 1.00 0.00 C ATOM 0 H1 VAL A 1 12.055 -18.661 -28.412 1.00 0.00 H new ATOM 0 H2 VAL A 1 12.336 -17.028 -28.044 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.435 -17.564 -29.652 1.00 0.00 H new ATOM 0 HA VAL A 1 14.233 -18.463 -27.455 1.00 0.00 H new ATOM 0 HB VAL A 1 14.323 -18.836 -30.483 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.299 -20.251 -29.986 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.564 -18.574 -29.452 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.164 -19.834 -28.261 1.00 0.00 H new ATOM 0 HG21 VAL A 1 14.004 -21.235 -29.927 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.869 -20.817 -28.202 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.631 -20.258 -29.352 1.00 0.00 H new ATOM 19 N GLU A 2 14.301 -15.696 -28.440 1.00 0.00 N ATOM 20 CA GLU A 2 15.040 -14.421 -28.656 1.00 0.00 C ATOM 21 C GLU A 2 14.102 -13.239 -28.406 1.00 0.00 C ATOM 22 O GLU A 2 13.859 -12.432 -29.282 1.00 0.00 O ATOM 23 CB GLU A 2 15.557 -14.368 -30.094 1.00 0.00 C ATOM 24 CG GLU A 2 14.464 -14.856 -31.047 1.00 0.00 C ATOM 25 CD GLU A 2 15.083 -15.197 -32.403 1.00 0.00 C ATOM 26 OE1 GLU A 2 16.069 -14.571 -32.755 1.00 0.00 O ATOM 27 OE2 GLU A 2 14.561 -16.079 -33.065 1.00 0.00 O ATOM 0 H GLU A 2 13.354 -15.593 -28.076 1.00 0.00 H new ATOM 0 HA GLU A 2 15.882 -14.368 -27.966 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.849 -13.349 -30.350 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.447 -14.990 -30.195 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.969 -15.733 -30.631 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.701 -14.087 -31.167 1.00 0.00 H new ATOM 34 N LEU A 3 13.574 -13.127 -27.219 1.00 0.00 N ATOM 35 CA LEU A 3 12.654 -11.995 -26.916 1.00 0.00 C ATOM 36 C LEU A 3 13.416 -10.670 -27.034 1.00 0.00 C ATOM 37 O LEU A 3 12.833 -9.608 -27.036 1.00 0.00 O ATOM 38 CB LEU A 3 12.064 -12.174 -25.501 1.00 0.00 C ATOM 39 CG LEU A 3 12.906 -11.464 -24.424 1.00 0.00 C ATOM 40 CD1 LEU A 3 14.399 -11.725 -24.643 1.00 0.00 C ATOM 41 CD2 LEU A 3 12.635 -9.958 -24.467 1.00 0.00 C ATOM 0 H LEU A 3 13.740 -13.771 -26.445 1.00 0.00 H new ATOM 0 HA LEU A 3 11.831 -11.982 -27.631 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.047 -11.782 -25.481 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.001 -13.237 -25.268 1.00 0.00 H new ATOM 0 HG LEU A 3 12.624 -11.859 -23.448 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.975 -11.214 -23.871 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.593 -12.796 -24.591 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.694 -11.350 -25.623 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.232 -9.459 -23.704 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.902 -9.568 -25.449 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.577 -9.773 -24.279 1.00 0.00 H new ATOM 53 N SER A 4 14.715 -10.727 -27.137 1.00 0.00 N ATOM 54 CA SER A 4 15.509 -9.470 -27.253 1.00 0.00 C ATOM 55 C SER A 4 15.350 -8.891 -28.660 1.00 0.00 C ATOM 56 O SER A 4 15.132 -9.610 -29.615 1.00 0.00 O ATOM 57 CB SER A 4 16.983 -9.773 -26.991 1.00 0.00 C ATOM 58 OG SER A 4 17.250 -11.129 -27.327 1.00 0.00 O ATOM 0 H SER A 4 15.261 -11.588 -27.146 1.00 0.00 H new ATOM 0 HA SER A 4 15.150 -8.746 -26.521 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.614 -9.109 -27.582 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.223 -9.592 -25.943 1.00 0.00 H new ATOM 0 HG SER A 4 18.196 -11.327 -27.162 1.00 0.00 H new ATOM 64 N LYS A 5 15.457 -7.594 -28.792 1.00 0.00 N ATOM 65 CA LYS A 5 15.316 -6.953 -30.133 1.00 0.00 C ATOM 66 C LYS A 5 13.833 -6.814 -30.487 1.00 0.00 C ATOM 67 O LYS A 5 13.284 -5.730 -30.480 1.00 0.00 O ATOM 68 CB LYS A 5 16.019 -7.807 -31.192 1.00 0.00 C ATOM 69 CG LYS A 5 16.330 -6.946 -32.417 1.00 0.00 C ATOM 70 CD LYS A 5 16.929 -7.823 -33.519 1.00 0.00 C ATOM 71 CE LYS A 5 18.069 -7.071 -34.207 1.00 0.00 C ATOM 72 NZ LYS A 5 17.629 -5.682 -34.520 1.00 0.00 N ATOM 0 H LYS A 5 15.637 -6.948 -28.024 1.00 0.00 H new ATOM 0 HA LYS A 5 15.774 -5.964 -30.106 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.940 -8.225 -30.785 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.386 -8.647 -31.476 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.421 -6.463 -32.776 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.028 -6.153 -32.149 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.299 -8.756 -33.095 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.161 -8.086 -34.247 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.947 -7.049 -33.561 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.359 -7.587 -35.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.083 -5.364 -35.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.596 -5.663 -34.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.901 -5.048 -33.742 1.00 0.00 H new ATOM 86 N LYS A 6 13.181 -7.901 -30.803 1.00 0.00 N ATOM 87 CA LYS A 6 11.736 -7.824 -31.163 1.00 0.00 C ATOM 88 C LYS A 6 10.925 -7.361 -29.951 1.00 0.00 C ATOM 89 O LYS A 6 9.758 -7.041 -30.060 1.00 0.00 O ATOM 90 CB LYS A 6 11.248 -9.206 -31.604 1.00 0.00 C ATOM 91 CG LYS A 6 11.176 -9.257 -33.132 1.00 0.00 C ATOM 92 CD LYS A 6 10.290 -10.428 -33.563 1.00 0.00 C ATOM 93 CE LYS A 6 9.328 -9.965 -34.657 1.00 0.00 C ATOM 94 NZ LYS A 6 7.993 -10.592 -34.445 1.00 0.00 N ATOM 0 H LYS A 6 13.586 -8.837 -30.827 1.00 0.00 H new ATOM 0 HA LYS A 6 11.605 -7.112 -31.977 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.924 -9.977 -31.235 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.267 -9.411 -31.176 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.773 -8.321 -33.519 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.176 -9.371 -33.550 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.907 -11.248 -33.930 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.730 -10.808 -32.708 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.238 -8.879 -34.641 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.718 -10.238 -35.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.339 -10.277 -35.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.086 -11.627 -34.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.621 -10.310 -33.516 1.00 0.00 H new ATOM 108 N VAL A 7 11.530 -7.321 -28.795 1.00 0.00 N ATOM 109 CA VAL A 7 10.785 -6.877 -27.581 1.00 0.00 C ATOM 110 C VAL A 7 11.520 -5.704 -26.931 1.00 0.00 C ATOM 111 O VAL A 7 11.068 -4.578 -26.970 1.00 0.00 O ATOM 112 CB VAL A 7 10.696 -8.035 -26.585 1.00 0.00 C ATOM 113 CG1 VAL A 7 9.645 -7.714 -25.523 1.00 0.00 C ATOM 114 CG2 VAL A 7 10.296 -9.314 -27.324 1.00 0.00 C ATOM 0 H VAL A 7 12.505 -7.576 -28.638 1.00 0.00 H new ATOM 0 HA VAL A 7 9.781 -6.564 -27.867 1.00 0.00 H new ATOM 0 HB VAL A 7 11.665 -8.178 -26.107 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.581 -8.539 -24.813 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.927 -6.803 -24.996 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.676 -7.571 -26.001 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.233 -10.139 -26.615 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.327 -9.170 -27.801 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.044 -9.545 -28.083 1.00 0.00 H new ATOM 124 N THR A 8 12.649 -5.961 -26.329 1.00 0.00 N ATOM 125 CA THR A 8 13.411 -4.861 -25.674 1.00 0.00 C ATOM 126 C THR A 8 13.572 -3.694 -26.650 1.00 0.00 C ATOM 127 O THR A 8 13.797 -2.569 -26.253 1.00 0.00 O ATOM 128 CB THR A 8 14.792 -5.377 -25.264 1.00 0.00 C ATOM 129 OG1 THR A 8 15.603 -5.521 -26.422 1.00 0.00 O ATOM 130 CG2 THR A 8 14.647 -6.732 -24.568 1.00 0.00 C ATOM 0 H THR A 8 13.076 -6.885 -26.263 1.00 0.00 H new ATOM 0 HA THR A 8 12.870 -4.520 -24.791 1.00 0.00 H new ATOM 0 HB THR A 8 15.257 -4.668 -24.579 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.390 -4.942 -26.345 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.631 -7.098 -24.276 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.024 -6.620 -23.681 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.182 -7.444 -25.250 1.00 0.00 H new ATOM 138 N GLY A 9 13.462 -3.955 -27.923 1.00 0.00 N ATOM 139 CA GLY A 9 13.611 -2.861 -28.926 1.00 0.00 C ATOM 140 C GLY A 9 12.867 -1.615 -28.446 1.00 0.00 C ATOM 141 O GLY A 9 13.353 -0.507 -28.564 1.00 0.00 O ATOM 0 H GLY A 9 13.275 -4.879 -28.313 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.666 -2.632 -29.074 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.217 -3.183 -29.890 1.00 0.00 H new ATOM 145 N LYS A 10 11.690 -1.782 -27.906 1.00 0.00 N ATOM 146 CA LYS A 10 10.919 -0.601 -27.423 1.00 0.00 C ATOM 147 C LYS A 10 9.936 -1.034 -26.333 1.00 0.00 C ATOM 148 O LYS A 10 9.713 -0.326 -25.371 1.00 0.00 O ATOM 149 CB LYS A 10 10.146 0.013 -28.592 1.00 0.00 C ATOM 150 CG LYS A 10 11.068 0.131 -29.807 1.00 0.00 C ATOM 151 CD LYS A 10 10.319 0.811 -30.954 1.00 0.00 C ATOM 152 CE LYS A 10 11.316 1.562 -31.839 1.00 0.00 C ATOM 153 NZ LYS A 10 10.888 2.983 -31.976 1.00 0.00 N ATOM 0 H LYS A 10 11.230 -2.683 -27.779 1.00 0.00 H new ATOM 0 HA LYS A 10 11.609 0.136 -27.012 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.283 -0.606 -28.836 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.765 0.996 -28.314 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.957 0.706 -29.548 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.407 -0.858 -30.116 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.782 0.068 -31.543 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.575 1.502 -30.558 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.314 1.512 -31.404 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.373 1.092 -32.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.566 3.493 -32.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.943 3.021 -32.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.856 3.428 -31.037 1.00 0.00 H new ATOM 167 N LEU A 11 9.340 -2.187 -26.475 1.00 0.00 N ATOM 168 CA LEU A 11 8.368 -2.655 -25.446 1.00 0.00 C ATOM 169 C LEU A 11 7.166 -1.703 -25.420 1.00 0.00 C ATOM 170 O LEU A 11 6.755 -1.187 -26.441 1.00 0.00 O ATOM 171 CB LEU A 11 9.046 -2.672 -24.073 1.00 0.00 C ATOM 172 CG LEU A 11 10.288 -3.563 -24.127 1.00 0.00 C ATOM 173 CD1 LEU A 11 10.873 -3.705 -22.721 1.00 0.00 C ATOM 174 CD2 LEU A 11 9.899 -4.946 -24.656 1.00 0.00 C ATOM 0 H LEU A 11 9.484 -2.824 -27.258 1.00 0.00 H new ATOM 0 HA LEU A 11 8.029 -3.662 -25.689 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.324 -1.659 -23.781 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.353 -3.042 -23.318 1.00 0.00 H new ATOM 0 HG LEU A 11 11.030 -3.114 -24.788 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.758 -4.340 -22.758 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.147 -2.721 -22.340 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.131 -4.155 -22.062 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.783 -5.582 -24.695 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.158 -5.394 -23.993 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.478 -4.848 -25.657 1.00 0.00 H new ATOM 186 N ASP A 12 6.597 -1.467 -24.268 1.00 0.00 N ATOM 187 CA ASP A 12 5.424 -0.550 -24.194 1.00 0.00 C ATOM 188 C ASP A 12 5.910 0.889 -24.004 1.00 0.00 C ATOM 189 O ASP A 12 6.209 1.313 -22.906 1.00 0.00 O ATOM 190 CB ASP A 12 4.540 -0.950 -23.011 1.00 0.00 C ATOM 191 CG ASP A 12 3.329 -1.734 -23.521 1.00 0.00 C ATOM 192 OD1 ASP A 12 2.958 -1.534 -24.666 1.00 0.00 O ATOM 193 OD2 ASP A 12 2.794 -2.520 -22.757 1.00 0.00 O ATOM 0 H ASP A 12 6.893 -1.868 -23.378 1.00 0.00 H new ATOM 0 HA ASP A 12 4.850 -0.619 -25.118 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.109 -1.557 -22.307 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.211 -0.061 -22.472 1.00 0.00 H new ATOM 198 N LYS A 13 5.989 1.645 -25.065 1.00 0.00 N ATOM 199 CA LYS A 13 6.454 3.055 -24.943 1.00 0.00 C ATOM 200 C LYS A 13 5.250 3.997 -24.966 1.00 0.00 C ATOM 201 O LYS A 13 5.383 5.192 -24.793 1.00 0.00 O ATOM 202 CB LYS A 13 7.386 3.388 -26.111 1.00 0.00 C ATOM 203 CG LYS A 13 8.831 3.080 -25.714 1.00 0.00 C ATOM 204 CD LYS A 13 9.786 3.914 -26.570 1.00 0.00 C ATOM 205 CE LYS A 13 11.230 3.524 -26.250 1.00 0.00 C ATOM 206 NZ LYS A 13 11.975 4.723 -25.767 1.00 0.00 N ATOM 0 H LYS A 13 5.751 1.347 -26.011 1.00 0.00 H new ATOM 0 HA LYS A 13 6.991 3.178 -24.002 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.107 2.807 -26.990 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.288 4.440 -26.380 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.984 3.303 -24.658 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.038 2.018 -25.849 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.580 3.751 -27.628 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.633 4.976 -26.375 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.247 2.742 -25.491 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.713 3.116 -27.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.957 4.457 -25.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.970 5.456 -26.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.518 5.093 -24.909 1.00 0.00 H new ATOM 220 N THR A 14 4.074 3.471 -25.176 1.00 0.00 N ATOM 221 CA THR A 14 2.867 4.343 -25.207 1.00 0.00 C ATOM 222 C THR A 14 1.618 3.494 -24.971 1.00 0.00 C ATOM 223 O THR A 14 0.650 3.575 -25.700 1.00 0.00 O ATOM 224 CB THR A 14 2.775 5.035 -26.567 1.00 0.00 C ATOM 225 OG1 THR A 14 2.953 4.074 -27.599 1.00 0.00 O ATOM 226 CG2 THR A 14 3.867 6.101 -26.663 1.00 0.00 C ATOM 0 H THR A 14 3.898 2.478 -25.327 1.00 0.00 H new ATOM 0 HA THR A 14 2.940 5.098 -24.424 1.00 0.00 H new ATOM 0 HB THR A 14 1.797 5.504 -26.677 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.893 4.516 -28.472 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.806 6.598 -27.631 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.730 6.835 -25.869 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.845 5.631 -26.557 1.00 0.00 H new ATOM 234 N THR A 15 1.634 2.681 -23.951 1.00 0.00 N ATOM 235 CA THR A 15 0.453 1.826 -23.657 1.00 0.00 C ATOM 236 C THR A 15 0.393 1.554 -22.150 1.00 0.00 C ATOM 237 O THR A 15 1.171 0.773 -21.636 1.00 0.00 O ATOM 238 CB THR A 15 0.587 0.498 -24.407 1.00 0.00 C ATOM 239 OG1 THR A 15 0.546 0.741 -25.806 1.00 0.00 O ATOM 240 CG2 THR A 15 -0.561 -0.433 -24.014 1.00 0.00 C ATOM 0 H THR A 15 2.418 2.573 -23.307 1.00 0.00 H new ATOM 0 HA THR A 15 -0.457 2.334 -23.977 1.00 0.00 H new ATOM 0 HB THR A 15 1.535 0.028 -24.147 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.633 -0.108 -26.288 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.463 -1.377 -24.549 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.527 -0.619 -22.941 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.512 0.033 -24.272 1.00 0.00 H new ATOM 248 N PRO A 16 -0.523 2.207 -21.480 1.00 0.00 N ATOM 249 CA PRO A 16 -0.698 2.052 -20.026 1.00 0.00 C ATOM 250 C PRO A 16 -1.409 0.732 -19.713 1.00 0.00 C ATOM 251 O PRO A 16 -2.615 0.677 -19.587 1.00 0.00 O ATOM 252 CB PRO A 16 -1.566 3.252 -19.636 1.00 0.00 C ATOM 253 CG PRO A 16 -2.296 3.699 -20.926 1.00 0.00 C ATOM 254 CD PRO A 16 -1.470 3.154 -22.107 1.00 0.00 C ATOM 0 HA PRO A 16 0.245 2.024 -19.480 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.281 2.979 -18.860 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.954 4.060 -19.236 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.313 3.309 -20.951 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.370 4.785 -20.973 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.104 2.656 -22.841 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.946 3.954 -22.630 1.00 0.00 H new ATOM 262 N GLY A 17 -0.663 -0.333 -19.589 1.00 0.00 N ATOM 263 CA GLY A 17 -1.285 -1.653 -19.287 1.00 0.00 C ATOM 264 C GLY A 17 -0.183 -2.660 -18.959 1.00 0.00 C ATOM 265 O GLY A 17 0.715 -2.379 -18.192 1.00 0.00 O ATOM 0 H GLY A 17 0.352 -0.345 -19.684 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.973 -1.561 -18.447 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.868 -1.998 -20.141 1.00 0.00 H new ATOM 269 N ILE A 18 -0.234 -3.830 -19.538 1.00 0.00 N ATOM 270 CA ILE A 18 0.825 -4.836 -19.251 1.00 0.00 C ATOM 271 C ILE A 18 0.916 -5.846 -20.397 1.00 0.00 C ATOM 272 O ILE A 18 -0.079 -6.320 -20.908 1.00 0.00 O ATOM 273 CB ILE A 18 0.500 -5.584 -17.956 1.00 0.00 C ATOM 274 CG1 ILE A 18 -0.664 -6.548 -18.203 1.00 0.00 C ATOM 275 CG2 ILE A 18 0.114 -4.587 -16.865 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.904 -7.387 -16.950 1.00 0.00 C ATOM 0 H ILE A 18 -0.957 -4.129 -20.192 1.00 0.00 H new ATOM 0 HA ILE A 18 1.777 -4.315 -19.146 1.00 0.00 H new ATOM 0 HB ILE A 18 1.377 -6.145 -17.635 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.565 -5.990 -18.458 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.440 -7.196 -19.050 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.116 -5.125 -15.945 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.944 -3.903 -16.687 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.761 -4.021 -17.183 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.732 -8.073 -17.125 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.004 -7.956 -16.715 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.147 -6.731 -16.114 1.00 0.00 H new ATOM 288 N GLN A 19 2.110 -6.191 -20.778 1.00 0.00 N ATOM 289 CA GLN A 19 2.298 -7.190 -21.866 1.00 0.00 C ATOM 290 C GLN A 19 3.074 -8.368 -21.281 1.00 0.00 C ATOM 291 O GLN A 19 4.216 -8.232 -20.896 1.00 0.00 O ATOM 292 CB GLN A 19 3.100 -6.558 -23.004 1.00 0.00 C ATOM 293 CG GLN A 19 3.242 -7.560 -24.152 1.00 0.00 C ATOM 294 CD GLN A 19 4.612 -7.393 -24.814 1.00 0.00 C ATOM 295 OE1 GLN A 19 5.272 -6.274 -24.661 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 5.091 -8.290 -25.479 1.00 0.00 N flip ATOM 0 H GLN A 19 2.973 -5.821 -20.380 1.00 0.00 H new ATOM 0 HA GLN A 19 1.337 -7.522 -22.258 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.601 -5.655 -23.356 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.085 -6.259 -22.645 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.130 -8.577 -23.776 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.451 -7.402 -24.885 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.579 -9.164 -25.601 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.005 -8.169 -25.916 1.00 0.00 H new ATOM 305 N ILE A 20 2.471 -9.521 -21.189 1.00 0.00 N ATOM 306 CA ILE A 20 3.203 -10.675 -20.597 1.00 0.00 C ATOM 307 C ILE A 20 3.941 -11.433 -21.685 1.00 0.00 C ATOM 308 O ILE A 20 3.807 -11.145 -22.850 1.00 0.00 O ATOM 309 CB ILE A 20 2.221 -11.635 -19.916 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.122 -10.842 -19.207 1.00 0.00 C ATOM 311 CG2 ILE A 20 2.968 -12.491 -18.893 1.00 0.00 C ATOM 312 CD1 ILE A 20 -0.094 -11.745 -19.013 1.00 0.00 C ATOM 0 H ILE A 20 1.517 -9.713 -21.493 1.00 0.00 H new ATOM 0 HA ILE A 20 3.911 -10.290 -19.863 1.00 0.00 H new ATOM 0 HB ILE A 20 1.770 -12.277 -20.672 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.480 -10.480 -18.243 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.850 -9.966 -19.795 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.269 -13.173 -18.409 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.745 -13.065 -19.397 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.423 -11.846 -18.142 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.884 -11.189 -18.508 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.454 -12.085 -19.984 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.186 -12.607 -18.408 1.00 0.00 H new ATOM 324 N TRP A 21 4.694 -12.422 -21.303 1.00 0.00 N ATOM 325 CA TRP A 21 5.420 -13.248 -22.298 1.00 0.00 C ATOM 326 C TRP A 21 5.270 -14.703 -21.868 1.00 0.00 C ATOM 327 O TRP A 21 5.658 -15.079 -20.778 1.00 0.00 O ATOM 328 CB TRP A 21 6.898 -12.866 -22.339 1.00 0.00 C ATOM 329 CG TRP A 21 7.080 -11.681 -23.230 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.381 -11.733 -24.551 1.00 0.00 C ATOM 331 CD2 TRP A 21 6.982 -10.274 -22.885 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.472 -10.438 -25.035 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.234 -9.503 -24.044 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.701 -9.600 -21.687 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.207 -8.107 -24.010 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.673 -8.199 -21.648 1.00 0.00 C ATOM 337 CH2 TRP A 21 6.926 -7.452 -22.807 1.00 0.00 C ATOM 0 H TRP A 21 4.838 -12.696 -20.331 1.00 0.00 H new ATOM 0 HA TRP A 21 5.011 -13.089 -23.296 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.254 -12.637 -21.334 1.00 0.00 H new ATOM 0 HB3 TRP A 21 7.492 -13.704 -22.704 1.00 0.00 H new ATOM 0 HD1 TRP A 21 7.526 -12.634 -25.129 1.00 0.00 H new ATOM 0 HE1 TRP A 21 7.688 -10.203 -26.004 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.505 -10.165 -20.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.402 -7.537 -24.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.455 -7.692 -20.720 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.904 -6.373 -22.771 1.00 0.00 H new ATOM 348 N ARG A 22 4.677 -15.518 -22.688 1.00 0.00 N ATOM 349 CA ARG A 22 4.467 -16.936 -22.291 1.00 0.00 C ATOM 350 C ARG A 22 5.748 -17.747 -22.468 1.00 0.00 C ATOM 351 O ARG A 22 6.381 -17.730 -23.505 1.00 0.00 O ATOM 352 CB ARG A 22 3.355 -17.535 -23.155 1.00 0.00 C ATOM 353 CG ARG A 22 3.085 -18.977 -22.720 1.00 0.00 C ATOM 354 CD ARG A 22 1.619 -19.323 -22.984 1.00 0.00 C ATOM 355 NE ARG A 22 1.330 -19.185 -24.439 1.00 0.00 N ATOM 356 CZ ARG A 22 0.853 -20.197 -25.110 1.00 0.00 C ATOM 357 NH1 ARG A 22 -0.276 -20.744 -24.750 1.00 0.00 N ATOM 358 NH2 ARG A 22 1.504 -20.664 -26.140 1.00 0.00 N ATOM 0 H ARG A 22 4.329 -15.267 -23.613 1.00 0.00 H new ATOM 0 HA ARG A 22 4.185 -16.970 -21.239 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.447 -16.940 -23.060 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.644 -17.510 -24.206 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.735 -19.661 -23.266 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.313 -19.097 -21.661 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.410 -20.341 -22.656 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.969 -18.663 -22.409 1.00 0.00 H new ATOM 0 HE ARG A 22 1.505 -18.298 -24.911 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.785 -20.380 -23.944 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.649 -21.535 -25.274 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.387 -20.238 -26.421 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.130 -21.455 -26.664 1.00 0.00 H new ATOM 372 N ILE A 23 6.118 -18.472 -21.452 1.00 0.00 N ATOM 373 CA ILE A 23 7.338 -19.317 -21.519 1.00 0.00 C ATOM 374 C ILE A 23 6.906 -20.734 -21.921 1.00 0.00 C ATOM 375 O ILE A 23 7.427 -21.724 -21.449 1.00 0.00 O ATOM 376 CB ILE A 23 7.998 -19.315 -20.136 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.380 -17.866 -19.771 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.236 -20.217 -20.131 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.795 -17.525 -20.264 1.00 0.00 C ATOM 0 H ILE A 23 5.618 -18.515 -20.564 1.00 0.00 H new ATOM 0 HA ILE A 23 8.054 -18.941 -22.250 1.00 0.00 H new ATOM 0 HB ILE A 23 7.300 -19.705 -19.396 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.662 -17.175 -20.212 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.327 -17.734 -18.690 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.692 -20.204 -19.141 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.944 -21.237 -20.382 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.954 -19.853 -20.866 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.037 -16.497 -19.993 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.514 -18.201 -19.802 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.839 -17.634 -21.348 1.00 0.00 H new ATOM 391 N GLU A 24 5.930 -20.810 -22.793 1.00 0.00 N ATOM 392 CA GLU A 24 5.397 -22.126 -23.263 1.00 0.00 C ATOM 393 C GLU A 24 6.541 -23.067 -23.647 1.00 0.00 C ATOM 394 O GLU A 24 7.591 -22.641 -24.084 1.00 0.00 O ATOM 395 CB GLU A 24 4.502 -21.884 -24.484 1.00 0.00 C ATOM 396 CG GLU A 24 3.991 -23.216 -25.037 1.00 0.00 C ATOM 397 CD GLU A 24 4.421 -23.360 -26.498 1.00 0.00 C ATOM 398 OE1 GLU A 24 3.875 -22.653 -27.328 1.00 0.00 O ATOM 399 OE2 GLU A 24 5.289 -24.176 -26.761 1.00 0.00 O ATOM 0 H GLU A 24 5.472 -19.998 -23.207 1.00 0.00 H new ATOM 0 HA GLU A 24 4.826 -22.590 -22.459 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.660 -21.250 -24.207 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.061 -21.353 -25.254 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.387 -24.043 -24.447 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.905 -23.261 -24.960 1.00 0.00 H new ATOM 406 N ASN A 25 6.340 -24.348 -23.484 1.00 0.00 N ATOM 407 CA ASN A 25 7.405 -25.326 -23.835 1.00 0.00 C ATOM 408 C ASN A 25 8.743 -24.817 -23.307 1.00 0.00 C ATOM 409 O ASN A 25 9.794 -25.127 -23.833 1.00 0.00 O ATOM 410 CB ASN A 25 7.471 -25.498 -25.358 1.00 0.00 C ATOM 411 CG ASN A 25 8.142 -24.278 -25.991 1.00 0.00 C ATOM 412 OD1 ASN A 25 9.431 -24.287 -26.187 1.00 0.00 O flip ATOM 413 ND2 ASN A 25 7.484 -23.309 -26.316 1.00 0.00 N flip ATOM 0 H ASN A 25 5.480 -24.758 -23.121 1.00 0.00 H new ATOM 0 HA ASN A 25 7.181 -26.292 -23.383 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.029 -26.401 -25.607 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.467 -25.622 -25.763 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.476 -23.302 -26.162 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.940 -22.502 -26.742 1.00 0.00 H new ATOM 420 N MET A 26 8.709 -24.042 -22.260 1.00 0.00 N ATOM 421 CA MET A 26 9.973 -23.513 -21.681 1.00 0.00 C ATOM 422 C MET A 26 10.651 -22.597 -22.699 1.00 0.00 C ATOM 423 O MET A 26 11.818 -22.740 -23.006 1.00 0.00 O ATOM 424 CB MET A 26 10.894 -24.684 -21.323 1.00 0.00 C ATOM 425 CG MET A 26 10.053 -25.904 -20.910 1.00 0.00 C ATOM 426 SD MET A 26 8.725 -25.394 -19.785 1.00 0.00 S ATOM 427 CE MET A 26 9.487 -25.967 -18.250 1.00 0.00 C ATOM 0 H MET A 26 7.857 -23.752 -21.779 1.00 0.00 H new ATOM 0 HA MET A 26 9.759 -22.941 -20.778 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.523 -24.937 -22.176 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.560 -24.398 -20.509 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.628 -26.379 -21.794 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.687 -26.645 -20.424 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.723 -26.065 -17.479 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.960 -26.935 -18.418 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.239 -25.247 -17.926 1.00 0.00 H new ATOM 437 N GLU A 27 9.918 -21.652 -23.218 1.00 0.00 N ATOM 438 CA GLU A 27 10.492 -20.705 -24.214 1.00 0.00 C ATOM 439 C GLU A 27 9.706 -19.397 -24.150 1.00 0.00 C ATOM 440 O GLU A 27 8.502 -19.378 -24.311 1.00 0.00 O ATOM 441 CB GLU A 27 10.385 -21.304 -25.616 1.00 0.00 C ATOM 442 CG GLU A 27 11.632 -22.138 -25.912 1.00 0.00 C ATOM 443 CD GLU A 27 11.894 -22.149 -27.419 1.00 0.00 C ATOM 444 OE1 GLU A 27 11.223 -21.413 -28.123 1.00 0.00 O ATOM 445 OE2 GLU A 27 12.763 -22.894 -27.843 1.00 0.00 O ATOM 0 H GLU A 27 8.936 -21.494 -22.992 1.00 0.00 H new ATOM 0 HA GLU A 27 11.543 -20.519 -23.990 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.493 -21.926 -25.690 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.282 -20.510 -26.355 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.492 -21.724 -25.386 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.496 -23.157 -25.549 1.00 0.00 H new ATOM 452 N MET A 28 10.370 -18.305 -23.899 1.00 0.00 N ATOM 453 CA MET A 28 9.651 -17.006 -23.805 1.00 0.00 C ATOM 454 C MET A 28 8.871 -16.736 -25.092 1.00 0.00 C ATOM 455 O MET A 28 9.291 -17.081 -26.179 1.00 0.00 O ATOM 456 CB MET A 28 10.654 -15.880 -23.562 1.00 0.00 C ATOM 457 CG MET A 28 10.576 -15.445 -22.098 1.00 0.00 C ATOM 458 SD MET A 28 11.033 -13.701 -21.956 1.00 0.00 S ATOM 459 CE MET A 28 9.827 -13.048 -23.134 1.00 0.00 C ATOM 0 H MET A 28 11.379 -18.256 -23.755 1.00 0.00 H new ATOM 0 HA MET A 28 8.948 -17.051 -22.973 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.663 -16.217 -23.800 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.437 -15.036 -24.217 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.567 -15.599 -21.716 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.243 -16.057 -21.491 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.601 -12.011 -22.886 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.239 -13.099 -24.142 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.913 -13.640 -23.085 1.00 0.00 H new ATOM 469 N VAL A 29 7.730 -16.118 -24.963 1.00 0.00 N ATOM 470 CA VAL A 29 6.889 -15.804 -26.151 1.00 0.00 C ATOM 471 C VAL A 29 6.108 -14.522 -25.854 1.00 0.00 C ATOM 472 O VAL A 29 5.807 -14.245 -24.715 1.00 0.00 O ATOM 473 CB VAL A 29 5.948 -16.997 -26.416 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.526 -16.540 -26.778 1.00 0.00 C ATOM 475 CG2 VAL A 29 6.521 -17.822 -27.567 1.00 0.00 C ATOM 0 H VAL A 29 7.339 -15.813 -24.071 1.00 0.00 H new ATOM 0 HA VAL A 29 7.494 -15.644 -27.044 1.00 0.00 H new ATOM 0 HB VAL A 29 5.881 -17.590 -25.504 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.898 -17.413 -26.956 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.111 -15.956 -25.956 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.559 -15.927 -27.679 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.867 -18.671 -27.767 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.593 -17.201 -28.460 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.513 -18.184 -27.296 1.00 0.00 H new ATOM 485 N PRO A 30 5.817 -13.772 -26.883 1.00 0.00 N ATOM 486 CA PRO A 30 5.083 -12.502 -26.747 1.00 0.00 C ATOM 487 C PRO A 30 3.598 -12.731 -26.433 1.00 0.00 C ATOM 488 O PRO A 30 2.847 -13.241 -27.241 1.00 0.00 O ATOM 489 CB PRO A 30 5.269 -11.831 -28.112 1.00 0.00 C ATOM 490 CG PRO A 30 5.611 -12.961 -29.109 1.00 0.00 C ATOM 491 CD PRO A 30 6.187 -14.118 -28.272 1.00 0.00 C ATOM 0 HA PRO A 30 5.452 -11.894 -25.921 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.362 -11.307 -28.414 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.068 -11.090 -28.075 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.723 -13.280 -29.654 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.334 -12.620 -29.850 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.763 -15.077 -28.571 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.268 -14.197 -28.390 1.00 0.00 H new ATOM 499 N VAL A 31 3.180 -12.336 -25.258 1.00 0.00 N ATOM 500 CA VAL A 31 1.750 -12.491 -24.856 1.00 0.00 C ATOM 501 C VAL A 31 1.104 -11.102 -24.763 1.00 0.00 C ATOM 502 O VAL A 31 1.158 -10.462 -23.725 1.00 0.00 O ATOM 503 CB VAL A 31 1.661 -13.167 -23.483 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.239 -13.030 -22.934 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.007 -14.649 -23.608 1.00 0.00 C ATOM 0 H VAL A 31 3.777 -11.907 -24.551 1.00 0.00 H new ATOM 0 HA VAL A 31 1.234 -13.103 -25.596 1.00 0.00 H new ATOM 0 HB VAL A 31 2.366 -12.685 -22.806 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.178 -13.511 -21.958 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.012 -11.974 -22.834 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.463 -13.507 -23.618 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.941 -15.122 -22.628 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.306 -15.130 -24.291 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.021 -14.755 -23.995 1.00 0.00 H new ATOM 515 N PRO A 32 0.513 -10.678 -25.852 1.00 0.00 N ATOM 516 CA PRO A 32 -0.158 -9.368 -25.936 1.00 0.00 C ATOM 517 C PRO A 32 -1.522 -9.426 -25.238 1.00 0.00 C ATOM 518 O PRO A 32 -1.754 -10.255 -24.380 1.00 0.00 O ATOM 519 CB PRO A 32 -0.315 -9.144 -27.444 1.00 0.00 C ATOM 520 CG PRO A 32 -0.252 -10.541 -28.102 1.00 0.00 C ATOM 521 CD PRO A 32 0.459 -11.467 -27.100 1.00 0.00 C ATOM 0 HA PRO A 32 0.395 -8.564 -25.450 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.262 -8.652 -27.667 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.477 -8.499 -27.825 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.253 -10.909 -28.327 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.292 -10.501 -29.046 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.090 -12.398 -26.959 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.458 -11.735 -27.445 1.00 0.00 H new ATOM 529 N THR A 33 -2.427 -8.557 -25.598 1.00 0.00 N ATOM 530 CA THR A 33 -3.771 -8.574 -24.948 1.00 0.00 C ATOM 531 C THR A 33 -4.579 -9.740 -25.511 1.00 0.00 C ATOM 532 O THR A 33 -5.504 -10.226 -24.892 1.00 0.00 O ATOM 533 CB THR A 33 -4.528 -7.265 -25.223 1.00 0.00 C ATOM 534 OG1 THR A 33 -5.464 -7.470 -26.273 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.551 -6.163 -25.629 1.00 0.00 C ATOM 0 H THR A 33 -2.296 -7.839 -26.310 1.00 0.00 H new ATOM 0 HA THR A 33 -3.638 -8.683 -23.872 1.00 0.00 H new ATOM 0 HB THR A 33 -5.049 -6.963 -24.315 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.948 -6.636 -26.447 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.101 -5.242 -25.821 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.835 -5.997 -24.824 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.019 -6.463 -26.532 1.00 0.00 H new ATOM 543 N LYS A 34 -4.244 -10.189 -26.688 1.00 0.00 N ATOM 544 CA LYS A 34 -5.003 -11.316 -27.289 1.00 0.00 C ATOM 545 C LYS A 34 -4.489 -12.642 -26.722 1.00 0.00 C ATOM 546 O LYS A 34 -4.858 -13.707 -27.178 1.00 0.00 O ATOM 547 CB LYS A 34 -4.827 -11.301 -28.810 1.00 0.00 C ATOM 548 CG LYS A 34 -3.428 -11.807 -29.173 1.00 0.00 C ATOM 549 CD LYS A 34 -2.757 -10.819 -30.128 1.00 0.00 C ATOM 550 CE LYS A 34 -1.664 -11.537 -30.922 1.00 0.00 C ATOM 551 NZ LYS A 34 -2.231 -12.762 -31.552 1.00 0.00 N ATOM 0 H LYS A 34 -3.480 -9.825 -27.257 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.061 -11.208 -27.049 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.584 -11.929 -29.280 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.969 -10.290 -29.192 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.827 -11.922 -28.271 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.495 -12.790 -29.639 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.496 -10.395 -30.808 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.328 -9.989 -29.567 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.261 -10.874 -31.688 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.837 -11.803 -30.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.795 -12.906 -32.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.036 -13.585 -30.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.259 -12.651 -31.664 1.00 0.00 H new ATOM 565 N SER A 35 -3.636 -12.588 -25.736 1.00 0.00 N ATOM 566 CA SER A 35 -3.100 -13.847 -25.147 1.00 0.00 C ATOM 567 C SER A 35 -3.281 -13.825 -23.628 1.00 0.00 C ATOM 568 O SER A 35 -3.704 -14.796 -23.032 1.00 0.00 O ATOM 569 CB SER A 35 -1.612 -13.969 -25.478 1.00 0.00 C ATOM 570 OG SER A 35 -1.461 -14.622 -26.732 1.00 0.00 O ATOM 0 H SER A 35 -3.288 -11.728 -25.313 1.00 0.00 H new ATOM 0 HA SER A 35 -3.640 -14.698 -25.563 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.153 -12.981 -25.512 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.099 -14.532 -24.698 1.00 0.00 H new ATOM 0 HG SER A 35 -0.508 -14.700 -26.948 1.00 0.00 H new ATOM 576 N TYR A 36 -2.960 -12.731 -22.994 1.00 0.00 N ATOM 577 CA TYR A 36 -3.112 -12.660 -21.513 1.00 0.00 C ATOM 578 C TYR A 36 -4.468 -13.248 -21.111 1.00 0.00 C ATOM 579 O TYR A 36 -5.385 -13.321 -21.906 1.00 0.00 O ATOM 580 CB TYR A 36 -3.004 -11.199 -21.050 1.00 0.00 C ATOM 581 CG TYR A 36 -4.328 -10.488 -21.229 1.00 0.00 C ATOM 582 CD1 TYR A 36 -5.150 -10.795 -22.321 1.00 0.00 C ATOM 583 CD2 TYR A 36 -4.733 -9.523 -20.298 1.00 0.00 C ATOM 584 CE1 TYR A 36 -6.374 -10.136 -22.481 1.00 0.00 C ATOM 585 CE2 TYR A 36 -5.957 -8.865 -20.459 1.00 0.00 C ATOM 586 CZ TYR A 36 -6.778 -9.171 -21.552 1.00 0.00 C ATOM 587 OH TYR A 36 -7.986 -8.523 -21.709 1.00 0.00 O ATOM 0 H TYR A 36 -2.600 -11.885 -23.436 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.320 -13.237 -21.036 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.704 -11.164 -20.003 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.229 -10.687 -21.620 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.839 -11.540 -23.039 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.100 -9.287 -19.455 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.008 -10.373 -23.323 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.269 -8.121 -19.741 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.113 -7.885 -20.976 1.00 0.00 H new ATOM 597 N GLY A 37 -4.603 -13.666 -19.883 1.00 0.00 N ATOM 598 CA GLY A 37 -5.899 -14.246 -19.434 1.00 0.00 C ATOM 599 C GLY A 37 -5.719 -15.736 -19.133 1.00 0.00 C ATOM 600 O GLY A 37 -6.145 -16.225 -18.107 1.00 0.00 O ATOM 0 H GLY A 37 -3.873 -13.631 -19.172 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.253 -13.725 -18.544 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.657 -14.110 -20.206 1.00 0.00 H new ATOM 604 N ASN A 38 -5.096 -16.463 -20.019 1.00 0.00 N ATOM 605 CA ASN A 38 -4.898 -17.919 -19.775 1.00 0.00 C ATOM 606 C ASN A 38 -3.407 -18.260 -19.841 1.00 0.00 C ATOM 607 O ASN A 38 -2.865 -18.520 -20.897 1.00 0.00 O ATOM 608 CB ASN A 38 -5.651 -18.722 -20.839 1.00 0.00 C ATOM 609 CG ASN A 38 -6.929 -17.979 -21.231 1.00 0.00 C ATOM 610 OD1 ASN A 38 -6.872 -16.929 -21.838 1.00 0.00 O ATOM 611 ND2 ASN A 38 -8.088 -18.483 -20.906 1.00 0.00 N ATOM 0 H ASN A 38 -4.717 -16.113 -20.899 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.281 -18.171 -18.786 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.019 -18.867 -21.715 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.897 -19.712 -20.456 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.946 -17.995 -21.162 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.136 -19.365 -20.396 1.00 0.00 H new ATOM 618 N PHE A 39 -2.743 -18.271 -18.717 1.00 0.00 N ATOM 619 CA PHE A 39 -1.288 -18.607 -18.709 1.00 0.00 C ATOM 620 C PHE A 39 -1.067 -19.937 -17.984 1.00 0.00 C ATOM 621 O PHE A 39 -1.415 -20.100 -16.831 1.00 0.00 O ATOM 622 CB PHE A 39 -0.483 -17.488 -18.030 1.00 0.00 C ATOM 623 CG PHE A 39 -1.394 -16.600 -17.214 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.874 -17.025 -15.969 1.00 0.00 C ATOM 625 CD2 PHE A 39 -1.754 -15.342 -17.711 1.00 0.00 C ATOM 626 CE1 PHE A 39 -2.717 -16.189 -15.224 1.00 0.00 C ATOM 627 CE2 PHE A 39 -2.594 -14.509 -16.968 1.00 0.00 C ATOM 628 CZ PHE A 39 -3.076 -14.930 -15.726 1.00 0.00 C ATOM 0 H PHE A 39 -3.144 -18.062 -17.803 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.942 -18.702 -19.738 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.283 -17.922 -17.387 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.033 -16.894 -18.784 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.595 -17.995 -15.584 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.382 -15.015 -18.671 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.090 -16.514 -14.264 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.871 -13.539 -17.354 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.725 -14.285 -15.152 1.00 0.00 H new ATOM 638 N TYR A 40 -0.499 -20.893 -18.669 1.00 0.00 N ATOM 639 CA TYR A 40 -0.256 -22.235 -18.063 1.00 0.00 C ATOM 640 C TYR A 40 0.193 -22.095 -16.606 1.00 0.00 C ATOM 641 O TYR A 40 1.085 -21.331 -16.292 1.00 0.00 O ATOM 642 CB TYR A 40 0.845 -22.953 -18.855 1.00 0.00 C ATOM 643 CG TYR A 40 0.433 -23.113 -20.305 1.00 0.00 C ATOM 644 CD1 TYR A 40 -0.831 -22.689 -20.732 1.00 0.00 C ATOM 645 CD2 TYR A 40 1.320 -23.692 -21.221 1.00 0.00 C ATOM 646 CE1 TYR A 40 -1.210 -22.842 -22.070 1.00 0.00 C ATOM 647 CE2 TYR A 40 0.942 -23.845 -22.561 1.00 0.00 C ATOM 648 CZ TYR A 40 -0.323 -23.420 -22.986 1.00 0.00 C ATOM 649 OH TYR A 40 -0.695 -23.572 -24.306 1.00 0.00 O ATOM 0 H TYR A 40 -0.189 -20.800 -19.636 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.183 -22.807 -18.095 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.774 -22.386 -18.795 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.039 -23.931 -18.415 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.516 -22.242 -20.026 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.296 -24.021 -20.894 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.186 -22.514 -22.396 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.627 -24.291 -23.267 1.00 0.00 H new ATOM 0 HH TYR A 40 0.099 -23.521 -24.878 1.00 0.00 H new ATOM 659 N GLU A 41 -0.404 -22.844 -15.714 1.00 0.00 N ATOM 660 CA GLU A 41 0.012 -22.767 -14.282 1.00 0.00 C ATOM 661 C GLU A 41 1.107 -23.793 -14.028 1.00 0.00 C ATOM 662 O GLU A 41 0.992 -24.648 -13.173 1.00 0.00 O ATOM 663 CB GLU A 41 -1.176 -23.050 -13.352 1.00 0.00 C ATOM 664 CG GLU A 41 -2.128 -24.054 -14.007 1.00 0.00 C ATOM 665 CD GLU A 41 -3.201 -24.469 -13.000 1.00 0.00 C ATOM 666 OE1 GLU A 41 -3.536 -23.658 -12.152 1.00 0.00 O ATOM 667 OE2 GLU A 41 -3.671 -25.592 -13.094 1.00 0.00 O ATOM 0 H GLU A 41 -1.157 -23.502 -15.914 1.00 0.00 H new ATOM 0 HA GLU A 41 0.380 -21.762 -14.076 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.818 -23.444 -12.401 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.706 -22.123 -13.134 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.592 -23.610 -14.888 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.574 -24.929 -14.346 1.00 0.00 H new ATOM 674 N GLY A 42 2.171 -23.713 -14.769 1.00 0.00 N ATOM 675 CA GLY A 42 3.284 -24.677 -14.583 1.00 0.00 C ATOM 676 C GLY A 42 4.425 -24.303 -15.525 1.00 0.00 C ATOM 677 O GLY A 42 4.975 -25.144 -16.210 1.00 0.00 O ATOM 0 H GLY A 42 2.319 -23.017 -15.500 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.628 -24.660 -13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.942 -25.691 -14.789 1.00 0.00 H new ATOM 681 N ASP A 43 4.791 -23.053 -15.552 1.00 0.00 N ATOM 682 CA ASP A 43 5.906 -22.616 -16.444 1.00 0.00 C ATOM 683 C ASP A 43 6.432 -21.246 -15.980 1.00 0.00 C ATOM 684 O ASP A 43 6.742 -21.050 -14.822 1.00 0.00 O ATOM 685 CB ASP A 43 5.403 -22.511 -17.894 1.00 0.00 C ATOM 686 CG ASP A 43 4.542 -23.723 -18.253 1.00 0.00 C ATOM 687 OD1 ASP A 43 3.379 -23.730 -17.881 1.00 0.00 O ATOM 688 OD2 ASP A 43 5.057 -24.623 -18.895 1.00 0.00 O ATOM 0 H ASP A 43 4.367 -22.312 -14.995 1.00 0.00 H new ATOM 0 HA ASP A 43 6.712 -23.349 -16.396 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.823 -21.596 -18.018 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.251 -22.446 -18.575 1.00 0.00 H new ATOM 693 N CYS A 44 6.538 -20.294 -16.881 1.00 0.00 N ATOM 694 CA CYS A 44 7.045 -18.943 -16.506 1.00 0.00 C ATOM 695 C CYS A 44 6.384 -17.895 -17.410 1.00 0.00 C ATOM 696 O CYS A 44 6.124 -18.143 -18.571 1.00 0.00 O ATOM 697 CB CYS A 44 8.565 -18.915 -16.702 1.00 0.00 C ATOM 698 SG CYS A 44 9.387 -19.435 -15.177 1.00 0.00 S ATOM 0 H CYS A 44 6.292 -20.401 -17.865 1.00 0.00 H new ATOM 0 HA CYS A 44 6.808 -18.723 -15.465 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.848 -19.575 -17.522 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.887 -17.910 -16.976 1.00 0.00 H new ATOM 0 HG CYS A 44 8.660 -20.329 -14.575 1.00 0.00 H new ATOM 704 N TYR A 45 6.101 -16.731 -16.889 1.00 0.00 N ATOM 705 CA TYR A 45 5.447 -15.678 -17.721 1.00 0.00 C ATOM 706 C TYR A 45 6.011 -14.302 -17.351 1.00 0.00 C ATOM 707 O TYR A 45 5.762 -13.793 -16.278 1.00 0.00 O ATOM 708 CB TYR A 45 3.943 -15.678 -17.447 1.00 0.00 C ATOM 709 CG TYR A 45 3.275 -16.765 -18.251 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.435 -18.104 -17.883 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.489 -16.431 -19.359 1.00 0.00 C ATOM 712 CE1 TYR A 45 2.809 -19.113 -18.625 1.00 0.00 C ATOM 713 CE2 TYR A 45 1.863 -17.437 -20.101 1.00 0.00 C ATOM 714 CZ TYR A 45 2.022 -18.779 -19.734 1.00 0.00 C ATOM 715 OH TYR A 45 1.407 -19.773 -20.465 1.00 0.00 O ATOM 0 H TYR A 45 6.294 -16.463 -15.924 1.00 0.00 H new ATOM 0 HA TYR A 45 5.638 -15.885 -18.774 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.758 -15.834 -16.384 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.517 -14.708 -17.706 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.041 -18.360 -17.027 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.366 -15.396 -19.641 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.933 -20.148 -18.342 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.257 -17.179 -20.957 1.00 0.00 H new ATOM 0 HH TYR A 45 1.804 -20.640 -20.237 1.00 0.00 H new ATOM 725 N VAL A 46 6.752 -13.686 -18.230 1.00 0.00 N ATOM 726 CA VAL A 46 7.308 -12.338 -17.915 1.00 0.00 C ATOM 727 C VAL A 46 6.217 -11.287 -18.132 1.00 0.00 C ATOM 728 O VAL A 46 5.656 -11.184 -19.199 1.00 0.00 O ATOM 729 CB VAL A 46 8.493 -12.046 -18.838 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.246 -10.816 -18.330 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.437 -13.251 -18.851 1.00 0.00 C ATOM 0 H VAL A 46 6.996 -14.055 -19.149 1.00 0.00 H new ATOM 0 HA VAL A 46 7.645 -12.310 -16.879 1.00 0.00 H new ATOM 0 HB VAL A 46 8.128 -11.857 -19.848 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.090 -10.609 -18.988 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.575 -9.957 -18.319 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.611 -11.004 -17.320 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.282 -13.044 -19.508 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.801 -13.439 -17.841 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.902 -14.129 -19.213 1.00 0.00 H new ATOM 741 N LEU A 47 5.901 -10.513 -17.130 1.00 0.00 N ATOM 742 CA LEU A 47 4.830 -9.484 -17.296 1.00 0.00 C ATOM 743 C LEU A 47 5.435 -8.078 -17.217 1.00 0.00 C ATOM 744 O LEU A 47 6.051 -7.714 -16.242 1.00 0.00 O ATOM 745 CB LEU A 47 3.787 -9.661 -16.191 1.00 0.00 C ATOM 746 CG LEU A 47 2.734 -8.561 -16.306 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.381 -9.096 -15.837 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.148 -7.377 -15.430 1.00 0.00 C ATOM 0 H LEU A 47 6.334 -10.546 -16.207 1.00 0.00 H new ATOM 0 HA LEU A 47 4.357 -9.609 -18.270 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.316 -10.641 -16.274 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.267 -9.620 -15.213 1.00 0.00 H new ATOM 0 HG LEU A 47 2.652 -8.239 -17.344 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.630 -8.310 -15.920 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.089 -9.943 -16.458 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.457 -9.417 -14.798 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.400 -6.588 -15.508 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.226 -7.702 -14.392 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.113 -6.997 -15.765 1.00 0.00 H new ATOM 760 N LEU A 48 5.258 -7.283 -18.238 1.00 0.00 N ATOM 761 CA LEU A 48 5.826 -5.903 -18.220 1.00 0.00 C ATOM 762 C LEU A 48 4.700 -4.884 -18.032 1.00 0.00 C ATOM 763 O LEU A 48 3.897 -4.663 -18.915 1.00 0.00 O ATOM 764 CB LEU A 48 6.546 -5.631 -19.546 1.00 0.00 C ATOM 765 CG LEU A 48 6.820 -4.132 -19.697 1.00 0.00 C ATOM 766 CD1 LEU A 48 7.853 -3.688 -18.659 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.361 -3.854 -21.100 1.00 0.00 C ATOM 0 H LEU A 48 4.745 -7.529 -19.084 1.00 0.00 H new ATOM 0 HA LEU A 48 6.533 -5.814 -17.395 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.484 -6.185 -19.580 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.937 -5.983 -20.379 1.00 0.00 H new ATOM 0 HG LEU A 48 5.893 -3.579 -19.544 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.045 -2.621 -18.770 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.471 -3.886 -17.658 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.780 -4.241 -18.809 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.557 -2.787 -21.210 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.286 -4.410 -21.250 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.626 -4.166 -21.842 1.00 0.00 H new ATOM 779 N SER A 49 4.640 -4.255 -16.893 1.00 0.00 N ATOM 780 CA SER A 49 3.571 -3.246 -16.660 1.00 0.00 C ATOM 781 C SER A 49 4.132 -1.852 -16.911 1.00 0.00 C ATOM 782 O SER A 49 5.213 -1.511 -16.473 1.00 0.00 O ATOM 783 CB SER A 49 3.072 -3.352 -15.219 1.00 0.00 C ATOM 784 OG SER A 49 1.759 -2.812 -15.135 1.00 0.00 O ATOM 0 H SER A 49 5.284 -4.395 -16.114 1.00 0.00 H new ATOM 0 HA SER A 49 2.739 -3.430 -17.340 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.070 -4.394 -14.898 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.743 -2.814 -14.549 1.00 0.00 H new ATOM 0 HG SER A 49 1.281 -3.229 -14.388 1.00 0.00 H new ATOM 790 N THR A 50 3.404 -1.052 -17.631 1.00 0.00 N ATOM 791 CA THR A 50 3.884 0.319 -17.940 1.00 0.00 C ATOM 792 C THR A 50 2.785 1.331 -17.592 1.00 0.00 C ATOM 793 O THR A 50 1.612 1.078 -17.786 1.00 0.00 O ATOM 794 CB THR A 50 4.220 0.374 -19.435 1.00 0.00 C ATOM 795 OG1 THR A 50 5.559 -0.059 -19.626 1.00 0.00 O ATOM 796 CG2 THR A 50 4.069 1.802 -19.976 1.00 0.00 C ATOM 0 H THR A 50 2.492 -1.290 -18.021 1.00 0.00 H new ATOM 0 HA THR A 50 4.771 0.565 -17.356 1.00 0.00 H new ATOM 0 HB THR A 50 3.530 -0.276 -19.973 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.020 0.561 -20.229 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.313 1.816 -21.038 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.042 2.138 -19.835 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.745 2.468 -19.440 1.00 0.00 H new ATOM 804 N ARG A 51 3.156 2.472 -17.079 1.00 0.00 N ATOM 805 CA ARG A 51 2.134 3.496 -16.719 1.00 0.00 C ATOM 806 C ARG A 51 2.649 4.888 -17.096 1.00 0.00 C ATOM 807 O ARG A 51 3.838 5.108 -17.214 1.00 0.00 O ATOM 808 CB ARG A 51 1.869 3.442 -15.213 1.00 0.00 C ATOM 809 CG ARG A 51 1.040 4.657 -14.794 1.00 0.00 C ATOM 810 CD ARG A 51 0.885 4.670 -13.272 1.00 0.00 C ATOM 811 NE ARG A 51 2.228 4.548 -12.636 1.00 0.00 N ATOM 812 CZ ARG A 51 2.648 5.472 -11.814 1.00 0.00 C ATOM 813 NH1 ARG A 51 2.758 6.706 -12.222 1.00 0.00 N ATOM 814 NH2 ARG A 51 2.958 5.160 -10.586 1.00 0.00 N ATOM 0 H ARG A 51 4.123 2.740 -16.893 1.00 0.00 H new ATOM 0 HA ARG A 51 1.210 3.292 -17.260 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.340 2.523 -14.959 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.813 3.427 -14.668 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.525 5.574 -15.128 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.060 4.623 -15.270 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.402 5.593 -12.953 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.244 3.848 -12.954 1.00 0.00 H new ATOM 0 HE ARG A 51 2.819 3.743 -12.843 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.516 6.949 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.086 7.428 -11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.872 4.195 -10.268 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.286 5.881 -9.944 1.00 0.00 H new ATOM 828 N LYS A 52 1.764 5.828 -17.286 1.00 0.00 N ATOM 829 CA LYS A 52 2.205 7.203 -17.655 1.00 0.00 C ATOM 830 C LYS A 52 2.803 7.893 -16.427 1.00 0.00 C ATOM 831 O LYS A 52 2.556 7.506 -15.303 1.00 0.00 O ATOM 832 CB LYS A 52 1.003 8.007 -18.155 1.00 0.00 C ATOM 833 CG LYS A 52 0.041 8.265 -16.994 1.00 0.00 C ATOM 834 CD LYS A 52 0.078 9.747 -16.618 1.00 0.00 C ATOM 835 CE LYS A 52 -1.304 10.365 -16.837 1.00 0.00 C ATOM 836 NZ LYS A 52 -1.593 11.337 -15.746 1.00 0.00 N ATOM 0 H LYS A 52 0.755 5.703 -17.202 1.00 0.00 H new ATOM 0 HA LYS A 52 2.957 7.144 -18.442 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.337 8.953 -18.581 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.493 7.462 -18.949 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.971 7.976 -17.276 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.319 7.654 -16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.378 9.861 -15.576 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.821 10.268 -17.222 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.341 10.866 -17.804 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.065 9.584 -16.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.533 11.757 -15.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.575 10.846 -14.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.874 12.088 -15.750 1.00 0.00 H new ATOM 850 N THR A 53 3.589 8.915 -16.633 1.00 0.00 N ATOM 851 CA THR A 53 4.202 9.629 -15.477 1.00 0.00 C ATOM 852 C THR A 53 4.515 11.072 -15.877 1.00 0.00 C ATOM 853 O THR A 53 4.149 11.524 -16.943 1.00 0.00 O ATOM 854 CB THR A 53 5.493 8.919 -15.066 1.00 0.00 C ATOM 855 OG1 THR A 53 5.986 8.161 -16.163 1.00 0.00 O ATOM 856 CG2 THR A 53 5.214 7.988 -13.885 1.00 0.00 C ATOM 0 H THR A 53 3.833 9.286 -17.551 1.00 0.00 H new ATOM 0 HA THR A 53 3.506 9.629 -14.638 1.00 0.00 H new ATOM 0 HB THR A 53 6.236 9.660 -14.773 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.691 8.571 -17.003 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.135 7.483 -13.594 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.838 8.570 -13.044 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.470 7.246 -14.174 1.00 0.00 H new ATOM 864 N GLY A 54 5.189 11.800 -15.029 1.00 0.00 N ATOM 865 CA GLY A 54 5.524 13.214 -15.361 1.00 0.00 C ATOM 866 C GLY A 54 6.857 13.263 -16.110 1.00 0.00 C ATOM 867 O GLY A 54 7.049 14.065 -17.002 1.00 0.00 O ATOM 0 H GLY A 54 5.522 11.477 -14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.735 13.651 -15.973 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.586 13.808 -14.449 1.00 0.00 H new ATOM 871 N SER A 55 7.779 12.411 -15.756 1.00 0.00 N ATOM 872 CA SER A 55 9.098 12.410 -16.449 1.00 0.00 C ATOM 873 C SER A 55 8.992 11.607 -17.747 1.00 0.00 C ATOM 874 O SER A 55 9.738 11.819 -18.682 1.00 0.00 O ATOM 875 CB SER A 55 10.150 11.772 -15.540 1.00 0.00 C ATOM 876 OG SER A 55 11.183 11.212 -16.340 1.00 0.00 O ATOM 0 H SER A 55 7.676 11.716 -15.017 1.00 0.00 H new ATOM 0 HA SER A 55 9.389 13.435 -16.679 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.563 12.519 -14.862 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.693 10.999 -14.922 1.00 0.00 H new ATOM 0 HG SER A 55 11.860 10.803 -15.761 1.00 0.00 H new ATOM 882 N GLY A 56 8.069 10.687 -17.813 1.00 0.00 N ATOM 883 CA GLY A 56 7.916 9.872 -19.051 1.00 0.00 C ATOM 884 C GLY A 56 7.035 8.656 -18.757 1.00 0.00 C ATOM 885 O GLY A 56 5.879 8.785 -18.408 1.00 0.00 O ATOM 0 H GLY A 56 7.414 10.465 -17.063 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.470 10.474 -19.843 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.893 9.548 -19.409 1.00 0.00 H new ATOM 889 N PHE A 57 7.573 7.476 -18.897 1.00 0.00 N ATOM 890 CA PHE A 57 6.769 6.251 -18.626 1.00 0.00 C ATOM 891 C PHE A 57 7.356 5.508 -17.425 1.00 0.00 C ATOM 892 O PHE A 57 8.441 5.804 -16.966 1.00 0.00 O ATOM 893 CB PHE A 57 6.809 5.332 -19.851 1.00 0.00 C ATOM 894 CG PHE A 57 5.605 5.591 -20.725 1.00 0.00 C ATOM 895 CD1 PHE A 57 4.991 6.849 -20.722 1.00 0.00 C ATOM 896 CD2 PHE A 57 5.106 4.572 -21.544 1.00 0.00 C ATOM 897 CE1 PHE A 57 3.879 7.088 -21.538 1.00 0.00 C ATOM 898 CE2 PHE A 57 3.995 4.810 -22.361 1.00 0.00 C ATOM 899 CZ PHE A 57 3.381 6.067 -22.358 1.00 0.00 C ATOM 0 H PHE A 57 8.536 7.307 -19.188 1.00 0.00 H new ATOM 0 HA PHE A 57 5.739 6.537 -18.413 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.724 5.505 -20.417 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.822 4.289 -19.534 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.375 7.636 -20.090 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.579 3.601 -21.546 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.405 8.059 -21.535 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.612 4.023 -22.994 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.523 6.250 -22.988 1.00 0.00 H new ATOM 909 N SER A 58 6.647 4.537 -16.921 1.00 0.00 N ATOM 910 CA SER A 58 7.158 3.759 -15.757 1.00 0.00 C ATOM 911 C SER A 58 6.952 2.270 -16.035 1.00 0.00 C ATOM 912 O SER A 58 5.843 1.775 -16.024 1.00 0.00 O ATOM 913 CB SER A 58 6.387 4.157 -14.498 1.00 0.00 C ATOM 914 OG SER A 58 7.262 4.117 -13.378 1.00 0.00 O ATOM 0 H SER A 58 5.732 4.247 -17.266 1.00 0.00 H new ATOM 0 HA SER A 58 8.218 3.966 -15.607 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.971 5.158 -14.614 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.548 3.479 -14.342 1.00 0.00 H new ATOM 0 HG SER A 58 6.771 4.373 -12.570 1.00 0.00 H new ATOM 920 N TYR A 59 8.009 1.551 -16.301 1.00 0.00 N ATOM 921 CA TYR A 59 7.856 0.100 -16.595 1.00 0.00 C ATOM 922 C TYR A 59 8.012 -0.720 -15.318 1.00 0.00 C ATOM 923 O TYR A 59 8.410 -0.225 -14.281 1.00 0.00 O ATOM 924 CB TYR A 59 8.913 -0.339 -17.612 1.00 0.00 C ATOM 925 CG TYR A 59 8.745 0.447 -18.892 1.00 0.00 C ATOM 926 CD1 TYR A 59 9.099 1.801 -18.935 1.00 0.00 C ATOM 927 CD2 TYR A 59 8.239 -0.181 -20.035 1.00 0.00 C ATOM 928 CE1 TYR A 59 8.944 2.528 -20.121 1.00 0.00 C ATOM 929 CE2 TYR A 59 8.084 0.546 -21.222 1.00 0.00 C ATOM 930 CZ TYR A 59 8.437 1.900 -21.265 1.00 0.00 C ATOM 931 OH TYR A 59 8.284 2.615 -22.436 1.00 0.00 O ATOM 0 H TYR A 59 8.966 1.904 -16.327 1.00 0.00 H new ATOM 0 HA TYR A 59 6.861 -0.067 -17.007 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.912 -0.180 -17.205 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.817 -1.406 -17.814 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.492 2.285 -18.053 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.968 -1.226 -20.002 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.215 3.573 -20.154 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.692 0.062 -22.104 1.00 0.00 H new ATOM 0 HH TYR A 59 7.816 2.063 -23.097 1.00 0.00 H new ATOM 941 N ASN A 60 7.683 -1.974 -15.399 1.00 0.00 N ATOM 942 CA ASN A 60 7.781 -2.871 -14.217 1.00 0.00 C ATOM 943 C ASN A 60 7.849 -4.308 -14.721 1.00 0.00 C ATOM 944 O ASN A 60 6.845 -4.962 -14.885 1.00 0.00 O ATOM 945 CB ASN A 60 6.531 -2.681 -13.357 1.00 0.00 C ATOM 946 CG ASN A 60 6.683 -1.417 -12.507 1.00 0.00 C ATOM 947 OD1 ASN A 60 7.504 -1.418 -11.495 1.00 0.00 O flip ATOM 948 ND2 ASN A 60 6.044 -0.416 -12.768 1.00 0.00 N flip ATOM 0 H ASN A 60 7.344 -2.425 -16.249 1.00 0.00 H new ATOM 0 HA ASN A 60 8.666 -2.644 -13.623 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.649 -2.601 -13.992 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.384 -3.549 -12.714 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.401 -0.413 -13.560 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.151 0.421 -12.195 1.00 0.00 H new ATOM 955 N ILE A 61 9.027 -4.797 -14.997 1.00 0.00 N ATOM 956 CA ILE A 61 9.147 -6.186 -15.518 1.00 0.00 C ATOM 957 C ILE A 61 8.968 -7.192 -14.386 1.00 0.00 C ATOM 958 O ILE A 61 9.491 -7.034 -13.301 1.00 0.00 O ATOM 959 CB ILE A 61 10.518 -6.379 -16.166 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.814 -5.197 -17.093 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.513 -7.673 -16.979 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.291 -5.219 -17.490 1.00 0.00 C ATOM 0 H ILE A 61 9.908 -4.296 -14.884 1.00 0.00 H new ATOM 0 HA ILE A 61 8.368 -6.350 -16.263 1.00 0.00 H new ATOM 0 HB ILE A 61 11.284 -6.435 -15.393 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.186 -5.252 -17.982 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.575 -4.259 -16.592 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.489 -7.815 -17.443 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.298 -8.515 -16.321 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.748 -7.613 -17.753 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.503 -4.378 -18.150 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.909 -5.143 -16.596 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.515 -6.152 -18.008 1.00 0.00 H new ATOM 974 N HIS A 62 8.229 -8.230 -14.650 1.00 0.00 N ATOM 975 CA HIS A 62 7.982 -9.273 -13.623 1.00 0.00 C ATOM 976 C HIS A 62 8.414 -10.620 -14.165 1.00 0.00 C ATOM 977 O HIS A 62 8.462 -10.831 -15.361 1.00 0.00 O ATOM 978 CB HIS A 62 6.484 -9.380 -13.351 1.00 0.00 C ATOM 979 CG HIS A 62 5.952 -8.085 -12.807 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.682 -6.887 -13.417 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 5.611 -7.919 -11.474 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 5.179 -5.987 -12.481 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 5.157 -6.660 -11.327 1.00 0.00 N flip ATOM 0 H HIS A 62 7.779 -8.401 -15.549 1.00 0.00 H new ATOM 0 HA HIS A 62 8.531 -9.007 -12.720 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.959 -9.637 -14.271 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.294 -10.185 -12.640 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.828 -6.686 -14.406 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.694 -8.663 -10.696 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.873 -4.965 -12.651 1.00 0.00 H new ATOM 991 N TYR A 63 8.660 -11.562 -13.309 1.00 0.00 N ATOM 992 CA TYR A 63 9.004 -12.903 -13.822 1.00 0.00 C ATOM 993 C TYR A 63 8.196 -13.952 -13.065 1.00 0.00 C ATOM 994 O TYR A 63 8.522 -14.349 -11.962 1.00 0.00 O ATOM 995 CB TYR A 63 10.510 -13.188 -13.737 1.00 0.00 C ATOM 996 CG TYR A 63 11.042 -12.942 -12.346 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.010 -13.965 -11.390 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.600 -11.700 -12.024 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.536 -13.743 -10.112 1.00 0.00 C ATOM 1000 CE2 TYR A 63 12.121 -11.477 -10.746 1.00 0.00 C ATOM 1001 CZ TYR A 63 12.091 -12.498 -9.790 1.00 0.00 C ATOM 1002 OH TYR A 63 12.616 -12.280 -8.533 1.00 0.00 O ATOM 0 H TYR A 63 8.638 -11.464 -12.294 1.00 0.00 H new ATOM 0 HA TYR A 63 8.747 -12.944 -14.880 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.702 -14.222 -14.024 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.042 -12.556 -14.448 1.00 0.00 H new ATOM 0 HD1 TYR A 63 10.580 -14.924 -11.639 1.00 0.00 H new ATOM 0 HD2 TYR A 63 11.628 -10.913 -12.763 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.514 -14.532 -9.374 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.547 -10.516 -10.497 1.00 0.00 H new ATOM 0 HH TYR A 63 12.961 -11.364 -8.477 1.00 0.00 H new ATOM 1012 N TRP A 64 7.124 -14.383 -13.671 1.00 0.00 N ATOM 1013 CA TRP A 64 6.236 -15.399 -13.047 1.00 0.00 C ATOM 1014 C TRP A 64 6.881 -16.772 -13.179 1.00 0.00 C ATOM 1015 O TRP A 64 7.362 -17.142 -14.229 1.00 0.00 O ATOM 1016 CB TRP A 64 4.899 -15.377 -13.781 1.00 0.00 C ATOM 1017 CG TRP A 64 3.847 -16.045 -12.963 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.483 -15.696 -11.708 1.00 0.00 C ATOM 1019 CD2 TRP A 64 3.007 -17.164 -13.337 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.468 -16.539 -11.291 1.00 0.00 N ATOM 1021 CE2 TRP A 64 2.139 -17.460 -12.264 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.920 -17.944 -14.499 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.210 -18.495 -12.342 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 1.986 -18.988 -14.585 1.00 0.00 C ATOM 1025 CH2 TRP A 64 1.132 -19.260 -13.508 1.00 0.00 C ATOM 0 H TRP A 64 6.822 -14.065 -14.592 1.00 0.00 H new ATOM 0 HA TRP A 64 6.081 -15.181 -11.990 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.608 -14.347 -13.989 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.996 -15.881 -14.742 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.913 -14.893 -11.128 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.018 -16.486 -10.377 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.576 -17.740 -15.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.556 -18.704 -11.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.925 -19.583 -15.484 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.412 -20.062 -13.580 1.00 0.00 H new ATOM 1036 N LEU A 65 6.916 -17.521 -12.114 1.00 0.00 N ATOM 1037 CA LEU A 65 7.561 -18.858 -12.172 1.00 0.00 C ATOM 1038 C LEU A 65 6.541 -19.967 -11.902 1.00 0.00 C ATOM 1039 O LEU A 65 6.652 -20.674 -10.926 1.00 0.00 O ATOM 1040 CB LEU A 65 8.657 -18.935 -11.095 1.00 0.00 C ATOM 1041 CG LEU A 65 9.921 -18.141 -11.487 1.00 0.00 C ATOM 1042 CD1 LEU A 65 10.999 -19.109 -11.971 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.629 -17.125 -12.595 1.00 0.00 C ATOM 0 H LEU A 65 6.526 -17.264 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 65 7.983 -18.994 -13.168 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.266 -18.549 -10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.924 -19.978 -10.926 1.00 0.00 H new ATOM 0 HG LEU A 65 10.262 -17.598 -10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.892 -18.550 -12.248 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.243 -19.810 -11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.632 -19.659 -12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.543 -16.585 -12.844 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.263 -17.646 -13.480 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.873 -16.419 -12.251 1.00 0.00 H new ATOM 1055 N GLY A 66 5.568 -20.142 -12.758 1.00 0.00 N ATOM 1056 CA GLY A 66 4.567 -21.237 -12.536 1.00 0.00 C ATOM 1057 C GLY A 66 5.321 -22.512 -12.145 1.00 0.00 C ATOM 1058 O GLY A 66 5.757 -23.268 -12.994 1.00 0.00 O ATOM 0 H GLY A 66 5.420 -19.580 -13.597 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.866 -20.956 -11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.982 -21.405 -13.440 1.00 0.00 H new ATOM 1062 N LYS A 67 5.502 -22.706 -10.859 1.00 0.00 N ATOM 1063 CA LYS A 67 6.266 -23.868 -10.307 1.00 0.00 C ATOM 1064 C LYS A 67 6.005 -25.168 -11.056 1.00 0.00 C ATOM 1065 O LYS A 67 5.127 -25.937 -10.721 1.00 0.00 O ATOM 1066 CB LYS A 67 5.896 -24.052 -8.835 1.00 0.00 C ATOM 1067 CG LYS A 67 7.054 -24.728 -8.094 1.00 0.00 C ATOM 1068 CD LYS A 67 8.335 -23.913 -8.291 1.00 0.00 C ATOM 1069 CE LYS A 67 8.950 -23.587 -6.930 1.00 0.00 C ATOM 1070 NZ LYS A 67 8.997 -24.821 -6.095 1.00 0.00 N ATOM 0 H LYS A 67 5.135 -22.079 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 67 7.326 -23.642 -10.424 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.676 -23.086 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.994 -24.657 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.822 -24.809 -7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.195 -25.742 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.046 -24.475 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.113 -22.992 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.955 -23.185 -7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.362 -22.818 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.816 -24.777 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.124 -24.894 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.084 -25.654 -6.711 1.00 0.00 H new ATOM 1084 N ASN A 68 6.809 -25.427 -12.039 1.00 0.00 N ATOM 1085 CA ASN A 68 6.691 -26.693 -12.814 1.00 0.00 C ATOM 1086 C ASN A 68 7.990 -26.914 -13.583 1.00 0.00 C ATOM 1087 O ASN A 68 8.528 -28.002 -13.624 1.00 0.00 O ATOM 1088 CB ASN A 68 5.528 -26.599 -13.784 1.00 0.00 C ATOM 1089 CG ASN A 68 4.320 -27.352 -13.222 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.352 -27.697 -14.026 1.00 0.00 O flip ATOM 1091 ND2 ASN A 68 4.258 -27.634 -12.043 1.00 0.00 N flip ATOM 0 H ASN A 68 7.558 -24.807 -12.347 1.00 0.00 H new ATOM 0 HA ASN A 68 6.512 -27.528 -12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.269 -25.554 -13.955 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.813 -27.019 -14.749 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.014 -27.365 -11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.450 -28.140 -11.682 1.00 0.00 H new ATOM 1098 N SER A 69 8.499 -25.878 -14.194 1.00 0.00 N ATOM 1099 CA SER A 69 9.767 -26.015 -14.964 1.00 0.00 C ATOM 1100 C SER A 69 10.906 -26.382 -14.011 1.00 0.00 C ATOM 1101 O SER A 69 10.694 -26.977 -12.973 1.00 0.00 O ATOM 1102 CB SER A 69 10.091 -24.690 -15.651 1.00 0.00 C ATOM 1103 OG SER A 69 10.652 -23.793 -14.703 1.00 0.00 O ATOM 0 H SER A 69 8.091 -24.943 -14.193 1.00 0.00 H new ATOM 0 HA SER A 69 9.652 -26.797 -15.714 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.790 -24.854 -16.471 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.187 -24.261 -16.084 1.00 0.00 H new ATOM 0 HG SER A 69 10.015 -23.071 -14.519 1.00 0.00 H new ATOM 1109 N SER A 70 12.114 -26.030 -14.356 1.00 0.00 N ATOM 1110 CA SER A 70 13.267 -26.356 -13.473 1.00 0.00 C ATOM 1111 C SER A 70 14.008 -25.068 -13.107 1.00 0.00 C ATOM 1112 O SER A 70 13.576 -23.979 -13.429 1.00 0.00 O ATOM 1113 CB SER A 70 14.218 -27.303 -14.204 1.00 0.00 C ATOM 1114 OG SER A 70 13.981 -27.217 -15.603 1.00 0.00 O ATOM 0 H SER A 70 12.352 -25.530 -15.213 1.00 0.00 H new ATOM 0 HA SER A 70 12.905 -26.837 -12.565 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.253 -27.041 -13.982 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.067 -28.326 -13.860 1.00 0.00 H new ATOM 0 HG SER A 70 14.806 -26.949 -16.059 1.00 0.00 H new ATOM 1120 N GLN A 71 15.121 -25.184 -12.435 1.00 0.00 N ATOM 1121 CA GLN A 71 15.888 -23.967 -12.049 1.00 0.00 C ATOM 1122 C GLN A 71 16.318 -23.211 -13.307 1.00 0.00 C ATOM 1123 O GLN A 71 16.425 -22.000 -13.309 1.00 0.00 O ATOM 1124 CB GLN A 71 17.129 -24.378 -11.253 1.00 0.00 C ATOM 1125 CG GLN A 71 16.707 -24.869 -9.867 1.00 0.00 C ATOM 1126 CD GLN A 71 16.619 -26.397 -9.871 1.00 0.00 C ATOM 1127 OE1 GLN A 71 17.426 -27.062 -10.490 1.00 0.00 O ATOM 1128 NE2 GLN A 71 15.666 -26.985 -9.202 1.00 0.00 N ATOM 0 H GLN A 71 15.532 -26.069 -12.137 1.00 0.00 H new ATOM 0 HA GLN A 71 15.258 -23.322 -11.436 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.668 -25.165 -11.781 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.810 -23.532 -11.159 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.426 -24.538 -9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.743 -24.439 -9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.988 -26.427 -8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.598 -28.003 -9.199 1.00 0.00 H new ATOM 1137 N ASP A 72 16.571 -23.913 -14.379 1.00 0.00 N ATOM 1138 CA ASP A 72 16.997 -23.229 -15.632 1.00 0.00 C ATOM 1139 C ASP A 72 15.835 -22.409 -16.187 1.00 0.00 C ATOM 1140 O ASP A 72 16.005 -21.276 -16.593 1.00 0.00 O ATOM 1141 CB ASP A 72 17.431 -24.270 -16.665 1.00 0.00 C ATOM 1142 CG ASP A 72 16.202 -25.021 -17.179 1.00 0.00 C ATOM 1143 OD1 ASP A 72 15.586 -25.718 -16.389 1.00 0.00 O ATOM 1144 OD2 ASP A 72 15.898 -24.888 -18.353 1.00 0.00 O ATOM 0 H ASP A 72 16.501 -24.929 -14.440 1.00 0.00 H new ATOM 0 HA ASP A 72 17.835 -22.567 -15.415 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.946 -23.783 -17.493 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.137 -24.970 -16.218 1.00 0.00 H new ATOM 1149 N GLU A 73 14.652 -22.958 -16.206 1.00 0.00 N ATOM 1150 CA GLU A 73 13.500 -22.180 -16.730 1.00 0.00 C ATOM 1151 C GLU A 73 13.372 -20.900 -15.912 1.00 0.00 C ATOM 1152 O GLU A 73 13.066 -19.847 -16.432 1.00 0.00 O ATOM 1153 CB GLU A 73 12.217 -23.002 -16.616 1.00 0.00 C ATOM 1154 CG GLU A 73 11.782 -23.451 -18.012 1.00 0.00 C ATOM 1155 CD GLU A 73 12.625 -24.653 -18.443 1.00 0.00 C ATOM 1156 OE1 GLU A 73 12.546 -25.675 -17.780 1.00 0.00 O ATOM 1157 OE2 GLU A 73 13.335 -24.532 -19.428 1.00 0.00 O ATOM 0 H GLU A 73 14.436 -23.902 -15.885 1.00 0.00 H new ATOM 0 HA GLU A 73 13.661 -21.938 -17.780 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.382 -23.869 -15.977 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.431 -22.408 -16.150 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.725 -23.717 -18.008 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.903 -22.634 -18.723 1.00 0.00 H new ATOM 1164 N GLN A 74 13.629 -20.977 -14.636 1.00 0.00 N ATOM 1165 CA GLN A 74 13.550 -19.754 -13.798 1.00 0.00 C ATOM 1166 C GLN A 74 14.636 -18.791 -14.273 1.00 0.00 C ATOM 1167 O GLN A 74 14.476 -17.587 -14.239 1.00 0.00 O ATOM 1168 CB GLN A 74 13.781 -20.117 -12.328 1.00 0.00 C ATOM 1169 CG GLN A 74 14.085 -18.849 -11.525 1.00 0.00 C ATOM 1170 CD GLN A 74 13.592 -19.024 -10.088 1.00 0.00 C ATOM 1171 OE1 GLN A 74 12.833 -18.216 -9.591 1.00 0.00 O ATOM 1172 NE2 GLN A 74 13.994 -20.053 -9.394 1.00 0.00 N ATOM 0 H GLN A 74 13.889 -21.830 -14.141 1.00 0.00 H new ATOM 0 HA GLN A 74 12.567 -19.292 -13.889 1.00 0.00 H new ATOM 0 HB2 GLN A 74 12.899 -20.613 -11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.609 -20.820 -12.243 1.00 0.00 H new ATOM 0 HG2 GLN A 74 15.157 -18.650 -11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.599 -17.989 -11.985 1.00 0.00 H new ATOM 0 HE21 GLN A 74 14.631 -20.732 -9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 74 13.671 -20.179 -8.435 1.00 0.00 H new ATOM 1181 N GLY A 75 15.740 -19.321 -14.730 1.00 0.00 N ATOM 1182 CA GLY A 75 16.836 -18.448 -15.224 1.00 0.00 C ATOM 1183 C GLY A 75 16.553 -18.062 -16.677 1.00 0.00 C ATOM 1184 O GLY A 75 17.198 -17.201 -17.239 1.00 0.00 O ATOM 0 H GLY A 75 15.927 -20.322 -14.781 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.912 -17.554 -14.605 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.792 -18.967 -15.152 1.00 0.00 H new ATOM 1188 N ALA A 76 15.592 -18.691 -17.298 1.00 0.00 N ATOM 1189 CA ALA A 76 15.283 -18.345 -18.713 1.00 0.00 C ATOM 1190 C ALA A 76 14.314 -17.162 -18.744 1.00 0.00 C ATOM 1191 O ALA A 76 14.559 -16.165 -19.393 1.00 0.00 O ATOM 1192 CB ALA A 76 14.647 -19.550 -19.410 1.00 0.00 C ATOM 0 H ALA A 76 15.012 -19.424 -16.890 1.00 0.00 H new ATOM 0 HA ALA A 76 16.203 -18.076 -19.232 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.422 -19.294 -20.445 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.340 -20.391 -19.386 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.726 -19.824 -18.895 1.00 0.00 H new ATOM 1198 N ALA A 77 13.219 -17.258 -18.040 1.00 0.00 N ATOM 1199 CA ALA A 77 12.246 -16.132 -18.024 1.00 0.00 C ATOM 1200 C ALA A 77 12.839 -14.980 -17.214 1.00 0.00 C ATOM 1201 O ALA A 77 12.659 -13.822 -17.534 1.00 0.00 O ATOM 1202 CB ALA A 77 10.938 -16.591 -17.376 1.00 0.00 C ATOM 0 H ALA A 77 12.957 -18.067 -17.476 1.00 0.00 H new ATOM 0 HA ALA A 77 12.044 -15.805 -19.044 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.227 -15.764 -17.366 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.521 -17.421 -17.946 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.133 -16.915 -16.354 1.00 0.00 H new ATOM 1208 N ALA A 78 13.551 -15.293 -16.166 1.00 0.00 N ATOM 1209 CA ALA A 78 14.162 -14.223 -15.333 1.00 0.00 C ATOM 1210 C ALA A 78 15.295 -13.556 -16.115 1.00 0.00 C ATOM 1211 O ALA A 78 15.482 -12.357 -16.053 1.00 0.00 O ATOM 1212 CB ALA A 78 14.720 -14.834 -14.046 1.00 0.00 C ATOM 0 H ALA A 78 13.735 -16.246 -15.852 1.00 0.00 H new ATOM 0 HA ALA A 78 13.406 -13.479 -15.082 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.168 -14.050 -13.435 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.913 -15.311 -13.490 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.477 -15.577 -14.295 1.00 0.00 H new ATOM 1218 N ILE A 79 16.053 -14.321 -16.855 1.00 0.00 N ATOM 1219 CA ILE A 79 17.168 -13.721 -17.638 1.00 0.00 C ATOM 1220 C ILE A 79 16.585 -12.824 -18.731 1.00 0.00 C ATOM 1221 O ILE A 79 17.037 -11.714 -18.938 1.00 0.00 O ATOM 1222 CB ILE A 79 18.021 -14.838 -18.264 1.00 0.00 C ATOM 1223 CG1 ILE A 79 19.019 -15.394 -17.231 1.00 0.00 C ATOM 1224 CG2 ILE A 79 18.809 -14.283 -19.454 1.00 0.00 C ATOM 1225 CD1 ILE A 79 18.416 -15.370 -15.820 1.00 0.00 C ATOM 0 H ILE A 79 15.948 -15.331 -16.950 1.00 0.00 H new ATOM 0 HA ILE A 79 17.802 -13.124 -16.982 1.00 0.00 H new ATOM 0 HB ILE A 79 17.355 -15.635 -18.593 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.293 -16.415 -17.497 1.00 0.00 H new ATOM 0 HG13 ILE A 79 19.935 -14.803 -17.250 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.411 -15.078 -19.894 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.116 -13.897 -20.201 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.462 -13.478 -19.115 1.00 0.00 H new ATOM 0 HD11 ILE A 79 19.140 -15.767 -15.108 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.166 -14.344 -15.549 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.514 -15.981 -15.799 1.00 0.00 H new ATOM 1237 N TYR A 80 15.581 -13.281 -19.434 1.00 0.00 N ATOM 1238 CA TYR A 80 14.991 -12.425 -20.497 1.00 0.00 C ATOM 1239 C TYR A 80 14.473 -11.140 -19.852 1.00 0.00 C ATOM 1240 O TYR A 80 14.488 -10.080 -20.447 1.00 0.00 O ATOM 1241 CB TYR A 80 13.840 -13.167 -21.175 1.00 0.00 C ATOM 1242 CG TYR A 80 14.391 -14.126 -22.205 1.00 0.00 C ATOM 1243 CD1 TYR A 80 15.538 -14.879 -21.920 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.756 -14.261 -23.445 1.00 0.00 C ATOM 1245 CE1 TYR A 80 16.047 -15.767 -22.876 1.00 0.00 C ATOM 1246 CE2 TYR A 80 14.266 -15.149 -24.400 1.00 0.00 C ATOM 1247 CZ TYR A 80 15.411 -15.902 -24.116 1.00 0.00 C ATOM 1248 OH TYR A 80 15.913 -16.777 -25.058 1.00 0.00 O ATOM 0 H TYR A 80 15.151 -14.199 -19.318 1.00 0.00 H new ATOM 0 HA TYR A 80 15.744 -12.186 -21.248 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.257 -13.711 -20.432 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.165 -12.455 -21.651 1.00 0.00 H new ATOM 0 HD1 TYR A 80 16.029 -14.775 -20.964 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.873 -13.680 -23.665 1.00 0.00 H new ATOM 0 HE1 TYR A 80 16.931 -16.348 -22.657 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.775 -15.253 -25.357 1.00 0.00 H new ATOM 0 HH TYR A 80 15.353 -16.750 -25.861 1.00 0.00 H new ATOM 1258 N THR A 81 14.030 -11.229 -18.627 1.00 0.00 N ATOM 1259 CA THR A 81 13.527 -10.020 -17.921 1.00 0.00 C ATOM 1260 C THR A 81 14.724 -9.153 -17.524 1.00 0.00 C ATOM 1261 O THR A 81 14.620 -7.950 -17.394 1.00 0.00 O ATOM 1262 CB THR A 81 12.756 -10.454 -16.668 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.469 -10.919 -17.047 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.607 -9.273 -15.705 1.00 0.00 C ATOM 0 H THR A 81 13.996 -12.092 -18.084 1.00 0.00 H new ATOM 0 HA THR A 81 12.862 -9.450 -18.569 1.00 0.00 H new ATOM 0 HB THR A 81 13.306 -11.252 -16.169 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.520 -11.870 -17.277 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.058 -9.593 -14.819 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.594 -8.916 -15.411 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.062 -8.468 -16.198 1.00 0.00 H new ATOM 1272 N THR A 82 15.862 -9.763 -17.337 1.00 0.00 N ATOM 1273 CA THR A 82 17.076 -8.989 -16.955 1.00 0.00 C ATOM 1274 C THR A 82 17.442 -8.028 -18.087 1.00 0.00 C ATOM 1275 O THR A 82 17.638 -6.848 -17.876 1.00 0.00 O ATOM 1276 CB THR A 82 18.234 -9.962 -16.705 1.00 0.00 C ATOM 1277 OG1 THR A 82 18.050 -10.603 -15.450 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.562 -9.202 -16.698 1.00 0.00 C ATOM 0 H THR A 82 16.003 -10.769 -17.433 1.00 0.00 H new ATOM 0 HA THR A 82 16.881 -8.417 -16.048 1.00 0.00 H new ATOM 0 HB THR A 82 18.253 -10.708 -17.499 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.258 -11.179 -15.490 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.380 -9.900 -16.520 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.706 -8.712 -17.661 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.547 -8.451 -15.908 1.00 0.00 H new ATOM 1286 N GLN A 83 17.537 -8.525 -19.290 1.00 0.00 N ATOM 1287 CA GLN A 83 17.891 -7.640 -20.436 1.00 0.00 C ATOM 1288 C GLN A 83 16.779 -6.611 -20.651 1.00 0.00 C ATOM 1289 O GLN A 83 17.032 -5.460 -20.946 1.00 0.00 O ATOM 1290 CB GLN A 83 18.058 -8.484 -21.701 1.00 0.00 C ATOM 1291 CG GLN A 83 18.857 -9.747 -21.371 1.00 0.00 C ATOM 1292 CD GLN A 83 19.726 -10.131 -22.570 1.00 0.00 C ATOM 1293 OE1 GLN A 83 19.964 -9.322 -23.445 1.00 0.00 O ATOM 1294 NE2 GLN A 83 20.214 -11.338 -22.647 1.00 0.00 N ATOM 0 H GLN A 83 17.385 -9.505 -19.529 1.00 0.00 H new ATOM 0 HA GLN A 83 18.826 -7.123 -20.219 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.081 -8.754 -22.103 1.00 0.00 H new ATOM 0 HB3 GLN A 83 18.571 -7.907 -22.471 1.00 0.00 H new ATOM 0 HG2 GLN A 83 19.483 -9.575 -20.495 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.179 -10.564 -21.123 1.00 0.00 H new ATOM 0 HE21 GLN A 83 20.014 -12.017 -21.912 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.796 -11.603 -23.442 1.00 0.00 H new ATOM 1303 N MET A 84 15.547 -7.017 -20.508 1.00 0.00 N ATOM 1304 CA MET A 84 14.420 -6.063 -20.704 1.00 0.00 C ATOM 1305 C MET A 84 14.588 -4.869 -19.761 1.00 0.00 C ATOM 1306 O MET A 84 14.142 -3.775 -20.045 1.00 0.00 O ATOM 1307 CB MET A 84 13.096 -6.769 -20.401 1.00 0.00 C ATOM 1308 CG MET A 84 12.686 -7.627 -21.600 1.00 0.00 C ATOM 1309 SD MET A 84 10.904 -7.469 -21.873 1.00 0.00 S ATOM 1310 CE MET A 84 10.466 -9.189 -21.519 1.00 0.00 C ATOM 0 H MET A 84 15.273 -7.969 -20.264 1.00 0.00 H new ATOM 0 HA MET A 84 14.418 -5.712 -21.736 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.200 -7.393 -19.513 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.321 -6.034 -20.185 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.231 -7.311 -22.490 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.946 -8.670 -21.420 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.163 -9.685 -22.441 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.328 -9.705 -21.097 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.642 -9.215 -20.806 1.00 0.00 H new ATOM 1320 N ASP A 85 15.226 -5.070 -18.640 1.00 0.00 N ATOM 1321 CA ASP A 85 15.419 -3.945 -17.682 1.00 0.00 C ATOM 1322 C ASP A 85 16.609 -3.091 -18.126 1.00 0.00 C ATOM 1323 O ASP A 85 16.607 -1.885 -17.981 1.00 0.00 O ATOM 1324 CB ASP A 85 15.688 -4.506 -16.284 1.00 0.00 C ATOM 1325 CG ASP A 85 15.115 -3.552 -15.233 1.00 0.00 C ATOM 1326 OD1 ASP A 85 15.370 -2.364 -15.339 1.00 0.00 O ATOM 1327 OD2 ASP A 85 14.433 -4.026 -14.340 1.00 0.00 O ATOM 0 H ASP A 85 15.621 -5.963 -18.347 1.00 0.00 H new ATOM 0 HA ASP A 85 14.520 -3.330 -17.661 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.234 -5.492 -16.182 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.760 -4.632 -16.131 1.00 0.00 H new ATOM 1332 N GLU A 86 17.626 -3.706 -18.663 1.00 0.00 N ATOM 1333 CA GLU A 86 18.814 -2.927 -19.113 1.00 0.00 C ATOM 1334 C GLU A 86 18.557 -2.356 -20.510 1.00 0.00 C ATOM 1335 O GLU A 86 19.385 -1.665 -21.069 1.00 0.00 O ATOM 1336 CB GLU A 86 20.039 -3.843 -19.156 1.00 0.00 C ATOM 1337 CG GLU A 86 21.094 -3.333 -18.171 1.00 0.00 C ATOM 1338 CD GLU A 86 22.445 -3.226 -18.879 1.00 0.00 C ATOM 1339 OE1 GLU A 86 22.825 -4.182 -19.535 1.00 0.00 O ATOM 1340 OE2 GLU A 86 23.077 -2.191 -18.754 1.00 0.00 O ATOM 0 H GLU A 86 17.686 -4.714 -18.810 1.00 0.00 H new ATOM 0 HA GLU A 86 18.994 -2.109 -18.415 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.752 -4.863 -18.902 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.451 -3.870 -20.165 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.799 -2.360 -17.778 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.170 -4.010 -17.320 1.00 0.00 H new ATOM 1347 N TYR A 87 17.416 -2.636 -21.079 1.00 0.00 N ATOM 1348 CA TYR A 87 17.112 -2.107 -22.437 1.00 0.00 C ATOM 1349 C TYR A 87 16.038 -1.021 -22.335 1.00 0.00 C ATOM 1350 O TYR A 87 15.991 -0.105 -23.130 1.00 0.00 O ATOM 1351 CB TYR A 87 16.605 -3.244 -23.326 1.00 0.00 C ATOM 1352 CG TYR A 87 17.747 -3.789 -24.149 1.00 0.00 C ATOM 1353 CD1 TYR A 87 18.695 -4.632 -23.558 1.00 0.00 C ATOM 1354 CD2 TYR A 87 17.857 -3.451 -25.503 1.00 0.00 C ATOM 1355 CE1 TYR A 87 19.755 -5.138 -24.321 1.00 0.00 C ATOM 1356 CE2 TYR A 87 18.917 -3.957 -26.266 1.00 0.00 C ATOM 1357 CZ TYR A 87 19.865 -4.801 -25.675 1.00 0.00 C ATOM 1358 OH TYR A 87 20.909 -5.299 -26.427 1.00 0.00 O ATOM 0 H TYR A 87 16.682 -3.208 -20.661 1.00 0.00 H new ATOM 0 HA TYR A 87 18.017 -1.682 -22.871 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.175 -4.036 -22.712 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.812 -2.882 -23.980 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.609 -4.892 -22.513 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.125 -2.801 -25.959 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.487 -5.788 -23.865 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.003 -3.696 -27.310 1.00 0.00 H new ATOM 0 HH TYR A 87 20.836 -4.969 -27.347 1.00 0.00 H new ATOM 1368 N LEU A 88 15.173 -1.118 -21.363 1.00 0.00 N ATOM 1369 CA LEU A 88 14.102 -0.093 -21.212 1.00 0.00 C ATOM 1370 C LEU A 88 14.713 1.219 -20.714 1.00 0.00 C ATOM 1371 O LEU A 88 14.036 2.220 -20.585 1.00 0.00 O ATOM 1372 CB LEU A 88 13.061 -0.587 -20.206 1.00 0.00 C ATOM 1373 CG LEU A 88 12.181 -1.650 -20.864 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.387 -2.395 -19.789 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.210 -0.977 -21.837 1.00 0.00 C ATOM 0 H LEU A 88 15.162 -1.863 -20.667 1.00 0.00 H new ATOM 0 HA LEU A 88 13.623 0.075 -22.177 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.556 -1.002 -19.328 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.448 0.246 -19.862 1.00 0.00 H new ATOM 0 HG LEU A 88 12.810 -2.356 -21.406 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.760 -3.153 -20.259 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.076 -2.875 -19.094 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.758 -1.689 -19.247 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.582 -1.734 -22.307 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.582 -0.271 -21.294 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.773 -0.446 -22.604 1.00 0.00 H new ATOM 1387 N GLY A 89 15.988 1.225 -20.432 1.00 0.00 N ATOM 1388 CA GLY A 89 16.636 2.474 -19.944 1.00 0.00 C ATOM 1389 C GLY A 89 16.762 2.426 -18.420 1.00 0.00 C ATOM 1390 O GLY A 89 16.884 3.442 -17.766 1.00 0.00 O ATOM 0 H GLY A 89 16.607 0.419 -20.519 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.621 2.585 -20.397 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.048 3.342 -20.243 1.00 0.00 H new ATOM 1394 N SER A 90 16.733 1.252 -17.850 1.00 0.00 N ATOM 1395 CA SER A 90 16.853 1.140 -16.369 1.00 0.00 C ATOM 1396 C SER A 90 15.641 1.801 -15.707 1.00 0.00 C ATOM 1397 O SER A 90 15.610 2.003 -14.509 1.00 0.00 O ATOM 1398 CB SER A 90 18.132 1.839 -15.907 1.00 0.00 C ATOM 1399 OG SER A 90 17.892 2.493 -14.669 1.00 0.00 O ATOM 0 H SER A 90 16.631 0.366 -18.346 1.00 0.00 H new ATOM 0 HA SER A 90 16.892 0.088 -16.086 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.937 1.112 -15.797 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.455 2.562 -16.656 1.00 0.00 H new ATOM 0 HG SER A 90 17.283 1.951 -14.125 1.00 0.00 H new ATOM 1405 N VAL A 91 14.642 2.139 -16.477 1.00 0.00 N ATOM 1406 CA VAL A 91 13.433 2.782 -15.889 1.00 0.00 C ATOM 1407 C VAL A 91 12.469 1.700 -15.400 1.00 0.00 C ATOM 1408 O VAL A 91 11.700 1.906 -14.482 1.00 0.00 O ATOM 1409 CB VAL A 91 12.740 3.638 -16.950 1.00 0.00 C ATOM 1410 CG1 VAL A 91 13.763 4.565 -17.609 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.122 2.727 -18.013 1.00 0.00 C ATOM 0 H VAL A 91 14.611 1.998 -17.487 1.00 0.00 H new ATOM 0 HA VAL A 91 13.730 3.413 -15.051 1.00 0.00 H new ATOM 0 HB VAL A 91 11.959 4.235 -16.480 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.268 5.174 -18.365 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.206 5.213 -16.853 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.545 3.968 -18.079 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.627 3.335 -18.770 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.905 2.131 -18.481 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.393 2.065 -17.546 1.00 0.00 H new ATOM 1421 N ALA A 92 12.505 0.547 -16.009 1.00 0.00 N ATOM 1422 CA ALA A 92 11.592 -0.550 -15.582 1.00 0.00 C ATOM 1423 C ALA A 92 12.068 -1.122 -14.247 1.00 0.00 C ATOM 1424 O ALA A 92 13.128 -0.786 -13.758 1.00 0.00 O ATOM 1425 CB ALA A 92 11.596 -1.658 -16.639 1.00 0.00 C ATOM 0 H ALA A 92 13.127 0.317 -16.784 1.00 0.00 H new ATOM 0 HA ALA A 92 10.582 -0.156 -15.469 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.928 -2.461 -16.327 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.256 -1.253 -17.592 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.607 -2.050 -16.751 1.00 0.00 H new ATOM 1431 N VAL A 93 11.292 -1.988 -13.657 1.00 0.00 N ATOM 1432 CA VAL A 93 11.696 -2.589 -12.355 1.00 0.00 C ATOM 1433 C VAL A 93 11.682 -4.111 -12.481 1.00 0.00 C ATOM 1434 O VAL A 93 11.339 -4.654 -13.511 1.00 0.00 O ATOM 1435 CB VAL A 93 10.705 -2.166 -11.270 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.328 -2.393 -9.893 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.363 -0.685 -11.438 1.00 0.00 C ATOM 0 H VAL A 93 10.394 -2.306 -14.021 1.00 0.00 H new ATOM 0 HA VAL A 93 12.696 -2.248 -12.089 1.00 0.00 H new ATOM 0 HB VAL A 93 9.795 -2.760 -11.359 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.621 -2.091 -9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.569 -3.449 -9.772 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.239 -1.801 -9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.657 -0.385 -10.664 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.272 -0.090 -11.351 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.916 -0.524 -12.419 1.00 0.00 H new ATOM 1447 N GLN A 94 12.044 -4.810 -11.441 1.00 0.00 N ATOM 1448 CA GLN A 94 12.033 -6.293 -11.515 1.00 0.00 C ATOM 1449 C GLN A 94 11.175 -6.844 -10.375 1.00 0.00 C ATOM 1450 O GLN A 94 11.310 -6.445 -9.235 1.00 0.00 O ATOM 1451 CB GLN A 94 13.462 -6.827 -11.391 1.00 0.00 C ATOM 1452 CG GLN A 94 13.496 -8.300 -11.805 1.00 0.00 C ATOM 1453 CD GLN A 94 14.390 -9.082 -10.843 1.00 0.00 C ATOM 1454 OE1 GLN A 94 14.113 -9.156 -9.662 1.00 0.00 O ATOM 1455 NE2 GLN A 94 15.461 -9.673 -11.300 1.00 0.00 N ATOM 0 H GLN A 94 12.345 -4.419 -10.549 1.00 0.00 H new ATOM 0 HA GLN A 94 11.618 -6.609 -12.472 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.134 -6.246 -12.022 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.814 -6.719 -10.365 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.488 -8.714 -11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.872 -8.393 -12.824 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.694 -9.611 -12.291 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.065 -10.196 -10.666 1.00 0.00 H new ATOM 1464 N HIS A 95 10.283 -7.748 -10.673 1.00 0.00 N ATOM 1465 CA HIS A 95 9.407 -8.311 -9.607 1.00 0.00 C ATOM 1466 C HIS A 95 9.502 -9.839 -9.605 1.00 0.00 C ATOM 1467 O HIS A 95 9.774 -10.456 -10.616 1.00 0.00 O ATOM 1468 CB HIS A 95 7.967 -7.882 -9.875 1.00 0.00 C ATOM 1469 CG HIS A 95 7.959 -6.444 -10.314 1.00 0.00 C ATOM 1470 ND1 HIS A 95 7.846 -5.865 -11.552 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.102 -5.394 -9.418 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 7.918 -4.481 -11.434 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.073 -4.250 -10.128 1.00 0.00 N flip ATOM 0 H HIS A 95 10.123 -8.121 -11.609 1.00 0.00 H new ATOM 0 HA HIS A 95 9.728 -7.940 -8.634 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.523 -8.513 -10.645 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.364 -8.004 -8.975 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.216 -5.479 -8.347 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.861 -3.751 -12.228 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.159 -3.320 -9.718 1.00 0.00 H new ATOM 1481 N ARG A 96 9.287 -10.453 -8.472 1.00 0.00 N ATOM 1482 CA ARG A 96 9.375 -11.939 -8.394 1.00 0.00 C ATOM 1483 C ARG A 96 7.983 -12.542 -8.195 1.00 0.00 C ATOM 1484 O ARG A 96 7.241 -12.136 -7.323 1.00 0.00 O ATOM 1485 CB ARG A 96 10.256 -12.327 -7.204 1.00 0.00 C ATOM 1486 CG ARG A 96 10.661 -13.798 -7.322 1.00 0.00 C ATOM 1487 CD ARG A 96 10.312 -14.528 -6.023 1.00 0.00 C ATOM 1488 NE ARG A 96 10.093 -15.974 -6.309 1.00 0.00 N ATOM 1489 CZ ARG A 96 10.711 -16.879 -5.601 1.00 0.00 C ATOM 1490 NH1 ARG A 96 10.664 -16.834 -4.297 1.00 0.00 N ATOM 1491 NH2 ARG A 96 11.377 -17.831 -6.196 1.00 0.00 N ATOM 0 H ARG A 96 9.054 -9.987 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 96 9.802 -12.318 -9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.144 -11.696 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.717 -12.161 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.145 -14.262 -8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.730 -13.877 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.117 -14.408 -5.298 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.416 -14.094 -5.579 1.00 0.00 H new ATOM 0 HE ARG A 96 9.460 -16.256 -7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.144 -16.091 -3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.148 -17.542 -3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.414 -17.867 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.860 -18.538 -5.642 1.00 0.00 H new ATOM 1505 N GLU A 97 7.629 -13.523 -8.983 1.00 0.00 N ATOM 1506 CA GLU A 97 6.292 -14.159 -8.818 1.00 0.00 C ATOM 1507 C GLU A 97 6.415 -15.667 -9.056 1.00 0.00 C ATOM 1508 O GLU A 97 7.398 -16.144 -9.587 1.00 0.00 O ATOM 1509 CB GLU A 97 5.301 -13.556 -9.811 1.00 0.00 C ATOM 1510 CG GLU A 97 5.323 -12.030 -9.692 1.00 0.00 C ATOM 1511 CD GLU A 97 6.453 -11.469 -10.556 1.00 0.00 C ATOM 1512 OE1 GLU A 97 6.705 -12.035 -11.608 1.00 0.00 O ATOM 1513 OE2 GLU A 97 7.047 -10.482 -10.153 1.00 0.00 O ATOM 0 H GLU A 97 8.206 -13.909 -9.730 1.00 0.00 H new ATOM 0 HA GLU A 97 5.929 -13.979 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.560 -13.856 -10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.297 -13.932 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.367 -11.616 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.466 -11.737 -8.652 1.00 0.00 H new ATOM 1520 N VAL A 98 5.432 -16.423 -8.647 1.00 0.00 N ATOM 1521 CA VAL A 98 5.494 -17.900 -8.824 1.00 0.00 C ATOM 1522 C VAL A 98 4.063 -18.455 -8.896 1.00 0.00 C ATOM 1523 O VAL A 98 3.128 -17.726 -9.151 1.00 0.00 O ATOM 1524 CB VAL A 98 6.230 -18.489 -7.616 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.818 -19.853 -7.969 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.369 -17.551 -7.205 1.00 0.00 C ATOM 0 H VAL A 98 4.585 -16.078 -8.196 1.00 0.00 H new ATOM 0 HA VAL A 98 6.020 -18.163 -9.742 1.00 0.00 H new ATOM 0 HB VAL A 98 5.522 -18.602 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.338 -20.260 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.016 -20.530 -8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.520 -19.744 -8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.893 -17.970 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.066 -17.439 -8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.960 -16.576 -6.941 1.00 0.00 H new ATOM 1536 N GLN A 99 3.874 -19.732 -8.670 1.00 0.00 N ATOM 1537 CA GLN A 99 2.495 -20.299 -8.729 1.00 0.00 C ATOM 1538 C GLN A 99 1.745 -19.971 -7.437 1.00 0.00 C ATOM 1539 O GLN A 99 0.624 -20.390 -7.227 1.00 0.00 O ATOM 1540 CB GLN A 99 2.567 -21.816 -8.915 1.00 0.00 C ATOM 1541 CG GLN A 99 1.158 -22.410 -8.864 1.00 0.00 C ATOM 1542 CD GLN A 99 0.223 -21.588 -9.755 1.00 0.00 C ATOM 1543 OE1 GLN A 99 0.605 -21.163 -10.827 1.00 0.00 O ATOM 1544 NE2 GLN A 99 -0.995 -21.346 -9.352 1.00 0.00 N ATOM 0 H GLN A 99 4.611 -20.401 -8.449 1.00 0.00 H new ATOM 0 HA GLN A 99 1.963 -19.860 -9.573 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.038 -22.053 -9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.187 -22.259 -8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.177 -23.447 -9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.790 -22.413 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.315 -21.703 -8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.627 -20.800 -9.937 1.00 0.00 H new ATOM 1553 N GLY A 100 2.358 -19.213 -6.582 1.00 0.00 N ATOM 1554 CA GLY A 100 1.709 -18.824 -5.300 1.00 0.00 C ATOM 1555 C GLY A 100 2.336 -17.515 -4.825 1.00 0.00 C ATOM 1556 O GLY A 100 2.312 -17.182 -3.658 1.00 0.00 O ATOM 0 H GLY A 100 3.297 -18.838 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.635 -18.702 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.847 -19.605 -4.552 1.00 0.00 H new ATOM 1560 N HIS A 101 2.912 -16.780 -5.737 1.00 0.00 N ATOM 1561 CA HIS A 101 3.568 -15.496 -5.372 1.00 0.00 C ATOM 1562 C HIS A 101 2.980 -14.359 -6.214 1.00 0.00 C ATOM 1563 O HIS A 101 3.131 -13.196 -5.899 1.00 0.00 O ATOM 1564 CB HIS A 101 5.065 -15.618 -5.661 1.00 0.00 C ATOM 1565 CG HIS A 101 5.778 -16.090 -4.425 1.00 0.00 C ATOM 1566 ND1 HIS A 101 6.084 -15.238 -3.376 1.00 0.00 N ATOM 1567 CD2 HIS A 101 6.253 -17.324 -4.055 1.00 0.00 C ATOM 1568 CE1 HIS A 101 6.716 -15.962 -2.435 1.00 0.00 C ATOM 1569 NE2 HIS A 101 6.844 -17.241 -2.798 1.00 0.00 N ATOM 0 H HIS A 101 2.955 -17.018 -6.728 1.00 0.00 H new ATOM 0 HA HIS A 101 3.403 -15.280 -4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.232 -16.318 -6.480 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.464 -14.655 -5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.179 -18.223 -4.649 1.00 0.00 H new ATOM 0 HE1 HIS A 101 7.076 -15.558 -1.500 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.281 -17.995 -2.268 1.00 0.00 H new ATOM 1577 N GLU A 102 2.316 -14.689 -7.288 1.00 0.00 N ATOM 1578 CA GLU A 102 1.724 -13.637 -8.160 1.00 0.00 C ATOM 1579 C GLU A 102 0.292 -13.327 -7.686 1.00 0.00 C ATOM 1580 O GLU A 102 -0.572 -12.973 -8.459 1.00 0.00 O ATOM 1581 CB GLU A 102 1.740 -14.148 -9.615 1.00 0.00 C ATOM 1582 CG GLU A 102 0.437 -14.886 -9.961 1.00 0.00 C ATOM 1583 CD GLU A 102 0.083 -15.863 -8.839 1.00 0.00 C ATOM 1584 OE1 GLU A 102 0.811 -16.828 -8.668 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -0.910 -15.632 -8.170 1.00 0.00 O ATOM 0 H GLU A 102 2.158 -15.647 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 102 2.300 -12.713 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.877 -13.308 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.589 -14.817 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.372 -14.169 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.552 -15.424 -10.902 1.00 0.00 H new ATOM 1592 N SER A 103 0.039 -13.473 -6.414 1.00 0.00 N ATOM 1593 CA SER A 103 -1.329 -13.213 -5.875 1.00 0.00 C ATOM 1594 C SER A 103 -1.791 -11.777 -6.196 1.00 0.00 C ATOM 1595 O SER A 103 -1.780 -11.352 -7.334 1.00 0.00 O ATOM 1596 CB SER A 103 -1.313 -13.440 -4.362 1.00 0.00 C ATOM 1597 OG SER A 103 -0.511 -12.441 -3.746 1.00 0.00 O ATOM 0 H SER A 103 0.726 -13.764 -5.719 1.00 0.00 H new ATOM 0 HA SER A 103 -2.034 -13.897 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.328 -13.403 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.918 -14.430 -4.135 1.00 0.00 H new ATOM 0 HG SER A 103 -0.500 -12.582 -2.776 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.222 -11.035 -5.204 1.00 0.00 N ATOM 1604 CA GLU A 104 -2.713 -9.645 -5.443 1.00 0.00 C ATOM 1605 C GLU A 104 -1.847 -8.914 -6.473 1.00 0.00 C ATOM 1606 O GLU A 104 -2.293 -7.983 -7.109 1.00 0.00 O ATOM 1607 CB GLU A 104 -2.682 -8.870 -4.126 1.00 0.00 C ATOM 1608 CG GLU A 104 -3.838 -9.334 -3.239 1.00 0.00 C ATOM 1609 CD GLU A 104 -3.891 -8.475 -1.974 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -4.136 -7.287 -2.098 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -3.685 -9.021 -0.902 1.00 0.00 O ATOM 0 H GLU A 104 -2.254 -11.338 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.730 -9.705 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.731 -9.032 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.763 -7.800 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.780 -9.258 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.707 -10.383 -2.973 1.00 0.00 H new ATOM 1618 N THR A 105 -0.613 -9.304 -6.637 1.00 0.00 N ATOM 1619 CA THR A 105 0.257 -8.596 -7.619 1.00 0.00 C ATOM 1620 C THR A 105 -0.170 -8.933 -9.053 1.00 0.00 C ATOM 1621 O THR A 105 -0.611 -8.076 -9.796 1.00 0.00 O ATOM 1622 CB THR A 105 1.713 -9.020 -7.409 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.909 -9.372 -6.047 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.643 -7.863 -7.778 1.00 0.00 C ATOM 0 H THR A 105 -0.172 -10.076 -6.138 1.00 0.00 H new ATOM 0 HA THR A 105 0.159 -7.521 -7.465 1.00 0.00 H new ATOM 0 HB THR A 105 1.937 -9.878 -8.043 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.840 -9.645 -5.911 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.679 -8.167 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.492 -7.594 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.422 -7.003 -7.146 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.037 -10.165 -9.455 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.428 -10.529 -10.846 1.00 0.00 C ATOM 1634 C PHE A 106 -1.888 -10.130 -11.055 1.00 0.00 C ATOM 1635 O PHE A 106 -2.232 -9.463 -12.012 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.280 -12.037 -11.027 1.00 0.00 C ATOM 1637 CG PHE A 106 0.385 -12.336 -12.351 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.477 -11.566 -12.769 1.00 0.00 C ATOM 1639 CD2 PHE A 106 -0.072 -13.393 -13.147 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.112 -11.852 -13.983 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.563 -13.678 -14.365 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.656 -12.907 -14.782 1.00 0.00 C ATOM 0 H PHE A 106 0.323 -10.931 -8.886 1.00 0.00 H new ATOM 0 HA PHE A 106 0.207 -10.015 -11.568 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.311 -12.453 -10.211 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.259 -12.514 -10.986 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.830 -10.751 -12.154 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.913 -13.989 -12.824 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.955 -11.258 -14.304 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.209 -14.492 -14.981 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.146 -13.126 -15.719 1.00 0.00 H new ATOM 1652 N ARG A 107 -2.747 -10.525 -10.155 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.183 -10.162 -10.286 1.00 0.00 C ATOM 1654 C ARG A 107 -4.316 -8.640 -10.252 1.00 0.00 C ATOM 1655 O ARG A 107 -5.207 -8.070 -10.850 1.00 0.00 O ATOM 1656 CB ARG A 107 -4.975 -10.772 -9.127 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.471 -10.696 -9.433 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.175 -11.923 -8.853 1.00 0.00 C ATOM 1659 NE ARG A 107 -7.789 -11.570 -7.542 1.00 0.00 N ATOM 1660 CZ ARG A 107 -9.085 -11.622 -7.393 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -9.844 -10.730 -7.969 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -9.620 -12.565 -6.667 1.00 0.00 N ATOM 0 H ARG A 107 -2.514 -11.084 -9.334 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.575 -10.546 -11.228 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.677 -11.809 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.755 -10.239 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.894 -9.786 -9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.630 -10.648 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.942 -12.275 -9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.462 -12.738 -8.725 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.197 -11.288 -6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.425 -9.993 -8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.857 -10.770 -7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.026 -13.261 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.632 -12.606 -6.550 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.427 -7.974 -9.564 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.500 -6.488 -9.506 1.00 0.00 C ATOM 1678 C ALA A 108 -3.405 -5.943 -10.929 1.00 0.00 C ATOM 1679 O ALA A 108 -4.042 -4.971 -11.280 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.344 -5.941 -8.665 1.00 0.00 C ATOM 0 H ALA A 108 -2.657 -8.394 -9.042 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.440 -6.180 -9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.404 -4.853 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.408 -6.343 -7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.396 -6.236 -9.114 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.618 -6.578 -11.754 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.482 -6.116 -13.163 1.00 0.00 C ATOM 1688 C TYR A 109 -3.564 -6.783 -14.015 1.00 0.00 C ATOM 1689 O TYR A 109 -3.810 -6.396 -15.140 1.00 0.00 O ATOM 1690 CB TYR A 109 -1.104 -6.509 -13.698 1.00 0.00 C ATOM 1691 CG TYR A 109 -0.030 -5.912 -12.821 1.00 0.00 C ATOM 1692 CD1 TYR A 109 0.166 -4.526 -12.799 1.00 0.00 C ATOM 1693 CD2 TYR A 109 0.771 -6.746 -12.031 1.00 0.00 C ATOM 1694 CE1 TYR A 109 1.163 -3.974 -11.987 1.00 0.00 C ATOM 1695 CE2 TYR A 109 1.768 -6.194 -11.218 1.00 0.00 C ATOM 1696 CZ TYR A 109 1.965 -4.808 -11.197 1.00 0.00 C ATOM 1697 OH TYR A 109 2.947 -4.263 -10.396 1.00 0.00 O ATOM 0 H TYR A 109 -2.063 -7.398 -11.512 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.593 -5.032 -13.206 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.008 -7.595 -13.720 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.987 -6.158 -14.723 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.452 -3.883 -13.408 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.620 -7.815 -12.049 1.00 0.00 H new ATOM 0 HE1 TYR A 109 1.314 -2.905 -11.969 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.385 -6.837 -10.607 1.00 0.00 H new ATOM 0 HH TYR A 109 3.765 -4.797 -10.473 1.00 0.00 H new ATOM 1707 N PHE A 110 -4.212 -7.786 -13.485 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.277 -8.483 -14.260 1.00 0.00 C ATOM 1709 C PHE A 110 -6.633 -8.233 -13.601 1.00 0.00 C ATOM 1710 O PHE A 110 -7.010 -8.904 -12.660 1.00 0.00 O ATOM 1711 CB PHE A 110 -4.996 -9.985 -14.277 1.00 0.00 C ATOM 1712 CG PHE A 110 -3.697 -10.254 -14.995 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -3.565 -9.931 -16.351 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -2.623 -10.828 -14.304 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -2.359 -10.183 -17.015 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -1.418 -11.079 -14.969 1.00 0.00 C ATOM 1717 CZ PHE A 110 -1.286 -10.757 -16.323 1.00 0.00 C ATOM 0 H PHE A 110 -4.049 -8.153 -12.547 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.289 -8.101 -15.281 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.944 -10.366 -13.257 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.812 -10.511 -14.773 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.393 -9.488 -16.884 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.725 -11.077 -13.258 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -2.256 -9.935 -18.061 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.589 -11.522 -14.436 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.355 -10.951 -16.836 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.371 -7.275 -14.086 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.703 -6.987 -13.486 1.00 0.00 C ATOM 1729 C LYS A 111 -9.696 -8.079 -13.895 1.00 0.00 C ATOM 1730 O LYS A 111 -10.453 -7.923 -14.831 1.00 0.00 O ATOM 1731 CB LYS A 111 -9.203 -5.630 -13.985 1.00 0.00 C ATOM 1732 CG LYS A 111 -9.318 -4.663 -12.805 1.00 0.00 C ATOM 1733 CD LYS A 111 -10.422 -5.139 -11.860 1.00 0.00 C ATOM 1734 CE LYS A 111 -11.614 -4.182 -11.944 1.00 0.00 C ATOM 1735 NZ LYS A 111 -12.109 -3.883 -10.572 1.00 0.00 N ATOM 0 H LYS A 111 -7.110 -6.679 -14.872 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.615 -6.966 -12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.517 -5.230 -14.731 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.172 -5.744 -14.471 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.368 -4.608 -12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -9.541 -3.659 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.733 -6.149 -12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.047 -5.181 -10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.319 -3.260 -12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.410 -4.628 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.919 -3.233 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.406 -4.766 -10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.349 -3.441 -10.017 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.696 -9.185 -13.195 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.640 -10.289 -13.536 1.00 0.00 C ATOM 1751 C GLN A 112 -10.111 -11.066 -14.743 1.00 0.00 C ATOM 1752 O GLN A 112 -10.564 -10.887 -15.855 1.00 0.00 O ATOM 1753 CB GLN A 112 -12.016 -9.707 -13.869 1.00 0.00 C ATOM 1754 CG GLN A 112 -13.105 -10.588 -13.256 1.00 0.00 C ATOM 1755 CD GLN A 112 -14.401 -9.786 -13.132 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -14.867 -9.526 -12.041 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -15.008 -9.379 -14.214 1.00 0.00 N ATOM 0 H GLN A 112 -9.082 -9.370 -12.402 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.727 -10.961 -12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -12.096 -8.691 -13.483 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.146 -9.649 -14.950 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.268 -11.468 -13.878 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.790 -10.944 -12.275 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.617 -9.597 -15.131 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.873 -8.843 -14.143 1.00 0.00 H new ATOM 1766 N GLY A 113 -9.156 -11.931 -14.532 1.00 0.00 N ATOM 1767 CA GLY A 113 -8.603 -12.722 -15.668 1.00 0.00 C ATOM 1768 C GLY A 113 -7.328 -13.440 -15.223 1.00 0.00 C ATOM 1769 O GLY A 113 -6.236 -13.095 -15.629 1.00 0.00 O ATOM 0 H GLY A 113 -8.735 -12.124 -13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.340 -13.448 -16.011 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.387 -12.065 -16.510 1.00 0.00 H new ATOM 1773 N LEU A 114 -7.456 -14.435 -14.388 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.248 -15.170 -13.919 1.00 0.00 C ATOM 1775 C LEU A 114 -6.422 -16.670 -14.171 1.00 0.00 C ATOM 1776 O LEU A 114 -6.321 -17.475 -13.267 1.00 0.00 O ATOM 1777 CB LEU A 114 -6.054 -14.929 -12.420 1.00 0.00 C ATOM 1778 CG LEU A 114 -5.144 -13.717 -12.211 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.780 -13.981 -12.851 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -5.780 -12.489 -12.863 1.00 0.00 C ATOM 0 H LEU A 114 -8.343 -14.770 -14.011 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.376 -14.810 -14.465 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -7.018 -14.760 -11.940 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.616 -15.811 -11.953 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.014 -13.541 -11.143 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.134 -13.116 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.325 -14.858 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.907 -14.157 -13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.134 -11.623 -12.716 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.908 -12.669 -13.930 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.752 -12.298 -12.408 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.677 -17.054 -15.392 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.846 -18.503 -15.692 1.00 0.00 C ATOM 1794 C ILE A 115 -5.466 -19.146 -15.843 1.00 0.00 C ATOM 1795 O ILE A 115 -4.466 -18.472 -15.994 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.638 -18.673 -16.999 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -9.139 -18.576 -16.703 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -7.334 -20.043 -17.628 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.933 -19.146 -17.883 1.00 0.00 C ATOM 0 H ILE A 115 -6.775 -16.429 -16.192 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.390 -18.984 -14.879 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.346 -17.886 -17.695 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -9.377 -19.126 -15.792 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.420 -17.537 -16.531 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.900 -20.152 -18.553 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.268 -20.116 -17.844 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -7.618 -20.833 -16.933 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.000 -19.076 -17.671 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.704 -18.577 -18.784 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.661 -20.191 -18.034 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.410 -20.447 -15.822 1.00 0.00 N ATOM 1812 CA TYR A 116 -4.105 -21.139 -15.984 1.00 0.00 C ATOM 1813 C TYR A 116 -4.319 -22.442 -16.751 1.00 0.00 C ATOM 1814 O TYR A 116 -4.863 -23.397 -16.231 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.499 -21.456 -14.617 1.00 0.00 C ATOM 1816 CG TYR A 116 -3.817 -20.354 -13.635 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -2.989 -19.230 -13.551 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -4.935 -20.464 -12.798 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -3.277 -18.214 -12.632 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -5.222 -19.450 -11.877 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.393 -18.324 -11.794 1.00 0.00 C ATOM 1822 OH TYR A 116 -4.676 -17.326 -10.884 1.00 0.00 O ATOM 0 H TYR A 116 -6.215 -21.062 -15.699 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.424 -20.488 -16.532 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -3.890 -22.404 -14.249 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.419 -21.571 -14.708 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -2.127 -19.146 -14.196 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -5.575 -21.331 -12.863 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -2.638 -17.345 -12.570 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.083 -19.536 -11.230 1.00 0.00 H new ATOM 0 HH TYR A 116 -5.485 -17.560 -10.383 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.893 -22.495 -17.981 1.00 0.00 N ATOM 1833 CA LYS A 117 -4.070 -23.743 -18.771 1.00 0.00 C ATOM 1834 C LYS A 117 -2.979 -24.742 -18.373 1.00 0.00 C ATOM 1835 O LYS A 117 -2.314 -24.575 -17.368 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.961 -23.421 -20.263 1.00 0.00 C ATOM 1837 CG LYS A 117 -5.276 -22.815 -20.757 1.00 0.00 C ATOM 1838 CD LYS A 117 -6.440 -23.737 -20.388 1.00 0.00 C ATOM 1839 CE LYS A 117 -7.674 -23.354 -21.209 1.00 0.00 C ATOM 1840 NZ LYS A 117 -8.904 -23.659 -20.425 1.00 0.00 N ATOM 0 H LYS A 117 -3.431 -21.730 -18.472 1.00 0.00 H new ATOM 0 HA LYS A 117 -5.051 -24.175 -18.571 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.141 -22.724 -20.436 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.733 -24.327 -20.825 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.424 -21.831 -20.312 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.239 -22.674 -21.837 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.170 -24.776 -20.580 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.659 -23.656 -19.323 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.643 -22.294 -21.460 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.683 -23.904 -22.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.744 -23.399 -20.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.934 -24.676 -20.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.894 -23.115 -19.539 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.786 -25.779 -19.141 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.736 -26.778 -18.786 1.00 0.00 C ATOM 1856 C GLN A 118 -0.388 -26.344 -19.366 1.00 0.00 C ATOM 1857 O GLN A 118 -0.322 -25.576 -20.306 1.00 0.00 O ATOM 1858 CB GLN A 118 -2.121 -28.145 -19.355 1.00 0.00 C ATOM 1859 CG GLN A 118 -2.901 -28.935 -18.302 1.00 0.00 C ATOM 1860 CD GLN A 118 -1.998 -29.212 -17.098 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -0.858 -29.602 -17.255 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -2.463 -29.023 -15.893 1.00 0.00 N ATOM 0 H GLN A 118 -3.307 -25.978 -19.995 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.654 -26.843 -17.701 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.726 -28.020 -20.253 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.226 -28.694 -19.648 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.781 -28.373 -17.988 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.257 -29.874 -18.726 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.420 -28.696 -15.761 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.869 -29.203 -15.083 1.00 0.00 H new ATOM 1871 N GLY A 119 0.690 -26.832 -18.810 1.00 0.00 N ATOM 1872 CA GLY A 119 2.036 -26.451 -19.324 1.00 0.00 C ATOM 1873 C GLY A 119 2.523 -27.507 -20.317 1.00 0.00 C ATOM 1874 O GLY A 119 1.761 -28.330 -20.783 1.00 0.00 O ATOM 0 H GLY A 119 0.695 -27.479 -18.021 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.989 -25.476 -19.809 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.741 -26.362 -18.497 1.00 0.00 H new ATOM 1878 N GLY A 120 3.789 -27.492 -20.645 1.00 0.00 N ATOM 1879 CA GLY A 120 4.319 -28.496 -21.609 1.00 0.00 C ATOM 1880 C GLY A 120 3.345 -28.646 -22.779 1.00 0.00 C ATOM 1881 O GLY A 120 2.631 -29.623 -22.883 1.00 0.00 O ATOM 0 H GLY A 120 4.476 -26.829 -20.287 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.297 -28.183 -21.974 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.456 -29.456 -21.111 1.00 0.00 H new ATOM 1885 N VAL A 121 3.307 -27.683 -23.659 1.00 0.00 N ATOM 1886 CA VAL A 121 2.377 -27.771 -24.820 1.00 0.00 C ATOM 1887 C VAL A 121 3.022 -28.588 -25.937 1.00 0.00 C ATOM 1888 O VAL A 121 2.514 -28.681 -27.038 1.00 0.00 O ATOM 1889 CB VAL A 121 2.050 -26.350 -25.301 1.00 0.00 C ATOM 1890 CG1 VAL A 121 3.003 -25.916 -26.422 1.00 0.00 C ATOM 1891 CG2 VAL A 121 0.608 -26.305 -25.812 1.00 0.00 C ATOM 0 H VAL A 121 3.880 -26.840 -23.624 1.00 0.00 H new ATOM 0 HA VAL A 121 1.453 -28.269 -24.526 1.00 0.00 H new ATOM 0 HB VAL A 121 2.171 -25.665 -24.462 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.750 -24.906 -26.744 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.029 -25.933 -26.054 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.909 -26.600 -27.265 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.374 -25.297 -26.154 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.493 -27.005 -26.640 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.072 -26.582 -25.007 1.00 0.00 H new ATOM 1901 N ALA A 122 4.138 -29.178 -25.652 1.00 0.00 N ATOM 1902 CA ALA A 122 4.840 -29.998 -26.679 1.00 0.00 C ATOM 1903 C ALA A 122 4.103 -31.325 -26.867 1.00 0.00 C ATOM 1904 O ALA A 122 3.473 -31.558 -27.880 1.00 0.00 O ATOM 1905 CB ALA A 122 6.273 -30.271 -26.217 1.00 0.00 C ATOM 0 H ALA A 122 4.603 -29.131 -24.746 1.00 0.00 H new ATOM 0 HA ALA A 122 4.858 -29.458 -27.626 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.789 -30.871 -26.967 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.799 -29.325 -26.084 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.253 -30.811 -25.271 1.00 0.00 H new ATOM 1911 N SER A 123 4.177 -32.198 -25.900 1.00 0.00 N ATOM 1912 CA SER A 123 3.479 -33.509 -26.025 1.00 0.00 C ATOM 1913 C SER A 123 4.163 -34.347 -27.108 1.00 0.00 C ATOM 1914 O SER A 123 3.673 -35.385 -27.505 1.00 0.00 O ATOM 1915 CB SER A 123 2.018 -33.274 -26.409 1.00 0.00 C ATOM 1916 OG SER A 123 1.650 -31.946 -26.062 1.00 0.00 O ATOM 0 H SER A 123 4.690 -32.060 -25.029 1.00 0.00 H new ATOM 0 HA SER A 123 3.523 -34.038 -25.073 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.881 -33.434 -27.478 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.375 -33.988 -25.894 1.00 0.00 H new ATOM 0 HG SER A 123 0.714 -31.791 -26.308 1.00 0.00 H new ATOM 1922 N GLY A 124 5.295 -33.905 -27.588 1.00 0.00 N ATOM 1923 CA GLY A 124 6.010 -34.676 -28.644 1.00 0.00 C ATOM 1924 C GLY A 124 7.430 -34.129 -28.803 1.00 0.00 C ATOM 1925 O GLY A 124 8.029 -34.228 -29.856 1.00 0.00 O ATOM 0 H GLY A 124 5.755 -33.043 -27.294 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.044 -35.732 -28.378 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.473 -34.602 -29.590 1.00 0.00 H new ATOM 1929 N MET A 125 7.974 -33.553 -27.767 1.00 0.00 N ATOM 1930 CA MET A 125 9.355 -32.999 -27.860 1.00 0.00 C ATOM 1931 C MET A 125 10.025 -33.071 -26.487 1.00 0.00 C ATOM 1932 O MET A 125 10.961 -33.817 -26.281 1.00 0.00 O ATOM 1933 CB MET A 125 9.291 -31.543 -28.322 1.00 0.00 C ATOM 1934 CG MET A 125 9.377 -31.486 -29.849 1.00 0.00 C ATOM 1935 SD MET A 125 10.814 -30.496 -30.335 1.00 0.00 S ATOM 1936 CE MET A 125 10.216 -28.907 -29.709 1.00 0.00 C ATOM 0 H MET A 125 7.522 -33.442 -26.859 1.00 0.00 H new ATOM 0 HA MET A 125 9.933 -33.581 -28.578 1.00 0.00 H new ATOM 0 HB2 MET A 125 8.363 -31.083 -27.982 1.00 0.00 H new ATOM 0 HB3 MET A 125 10.109 -30.974 -27.880 1.00 0.00 H new ATOM 0 HG2 MET A 125 9.461 -32.493 -30.257 1.00 0.00 H new ATOM 0 HG3 MET A 125 8.466 -31.050 -30.259 1.00 0.00 H new ATOM 0 HE1 MET A 125 10.666 -28.097 -30.283 1.00 0.00 H new ATOM 0 HE2 MET A 125 9.131 -28.862 -29.807 1.00 0.00 H new ATOM 0 HE3 MET A 125 10.490 -28.803 -28.659 1.00 0.00 H new ATOM 1946 N LYS A 126 9.554 -32.299 -25.545 1.00 0.00 N ATOM 1947 CA LYS A 126 10.166 -32.322 -24.187 1.00 0.00 C ATOM 1948 C LYS A 126 9.437 -31.326 -23.283 1.00 0.00 C ATOM 1949 O LYS A 126 8.307 -30.990 -23.596 1.00 0.00 O ATOM 1950 CB LYS A 126 11.643 -31.935 -24.285 1.00 0.00 C ATOM 1951 CG LYS A 126 11.762 -30.517 -24.846 1.00 0.00 C ATOM 1952 CD LYS A 126 13.049 -30.399 -25.666 1.00 0.00 C ATOM 1953 CE LYS A 126 13.332 -28.925 -25.964 1.00 0.00 C ATOM 1954 NZ LYS A 126 14.637 -28.803 -26.672 1.00 0.00 N ATOM 1955 OXT LYS A 126 10.021 -30.917 -22.292 1.00 0.00 O ATOM 0 H LYS A 126 8.772 -31.654 -25.658 1.00 0.00 H new ATOM 0 HA LYS A 126 10.081 -33.324 -23.767 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.110 -31.989 -23.302 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.172 -32.638 -24.928 1.00 0.00 H new ATOM 0 HG2 LYS A 126 10.898 -30.288 -25.470 1.00 0.00 H new ATOM 0 HG3 LYS A 126 11.769 -29.792 -24.032 1.00 0.00 H new ATOM 0 HD2 LYS A 126 13.883 -30.837 -25.118 1.00 0.00 H new ATOM 0 HD3 LYS A 126 12.952 -30.957 -26.597 1.00 0.00 H new ATOM 0 HE2 LYS A 126 12.533 -28.507 -26.577 1.00 0.00 H new ATOM 0 HE3 LYS A 126 13.355 -28.353 -25.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 14.830 -27.801 -26.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 15.395 -29.187 -26.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 14.599 -29.336 -27.564 1.00 0.00 H new TER 1969 LYS A 126