USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 854 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 70 ASN : amide:sc= 1.39 K(o=0.96,f=-8.8!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.423 USER MOD Set 2.1: A 64 SER OG : rot -91:sc= 0.419 USER MOD Set 2.2: A 65 SER OG : rot -76:sc= 1.3 USER MOD Set 2.3: A 102 HIS : no HE2:sc= 0.981 K(o=2.7,f=-6.5!) USER MOD Set 3.1: A 31 GLN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 16 ASN : amide:sc= -0.614 X(o=-0.69,f=-0.6) USER MOD Set 4.2: A 66 TYR OH : rot 60:sc= -0.0743 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.173 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.081) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 167:sc= -0.571 (180deg=-0.876) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00434 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 27 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.0057) USER MOD Single : A 28 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.2!) USER MOD Single : A 30 GLN : amide:sc= -0.0866 X(o=-0.087,f=-0.089) USER MOD Single : A 32 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 34 SER OG : rot -127:sc= 0.507 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.502 F(o=-2.6,f=-0.5) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -2.96 K(o=-3,f=-3.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 94:sc= 0.655 USER MOD Single : A 55 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.16) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0857) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= -0.022 (180deg=-0.158) USER MOD Single : A 69 GLN : amide:sc= -2.48 X(o=-2.5,f=-2) USER MOD Single : A 76 TYR OH : rot 90:sc= -0.716 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.873) USER MOD Single : A 93 SER OG : rot -150:sc= -0.0436 USER MOD Single : A 99 MET CE :methyl 158:sc= -0.0933 (180deg=-0.499) USER MOD Single : A 100 LYS NZ :NH3+ 160:sc= 1.99 (180deg=1.44) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.407 -12.475 0.340 1.00 0.00 N ATOM 2 CA GLY A 1 -27.647 -11.441 -0.339 1.00 0.00 C ATOM 3 C GLY A 1 -27.135 -11.969 -1.637 1.00 0.00 C ATOM 4 O GLY A 1 -27.595 -13.019 -2.102 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.327 -12.091 0.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.558 -13.276 -0.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.881 -12.800 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.276 -10.568 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.816 -11.116 0.287 1.00 0.00 H new ATOM 10 N ALA A 2 -26.191 -11.287 -2.221 1.00 0.00 N ATOM 11 CA ALA A 2 -25.643 -11.675 -3.495 1.00 0.00 C ATOM 12 C ALA A 2 -24.199 -11.259 -3.580 1.00 0.00 C ATOM 13 O ALA A 2 -23.733 -10.427 -2.785 1.00 0.00 O ATOM 14 CB ALA A 2 -26.429 -11.020 -4.615 1.00 0.00 C ATOM 0 H ALA A 2 -25.776 -10.442 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 2 -25.710 -12.758 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -26.010 -11.317 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.471 -11.335 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -26.372 -9.936 -4.514 1.00 0.00 H new ATOM 20 N HIS A 3 -23.486 -11.831 -4.533 1.00 0.00 N ATOM 21 CA HIS A 3 -22.101 -11.476 -4.754 1.00 0.00 C ATOM 22 C HIS A 3 -22.017 -10.249 -5.667 1.00 0.00 C ATOM 23 O HIS A 3 -20.949 -9.682 -5.859 1.00 0.00 O ATOM 24 CB HIS A 3 -21.302 -12.673 -5.323 1.00 0.00 C ATOM 25 CG HIS A 3 -19.824 -12.412 -5.475 1.00 0.00 C ATOM 26 ND1 HIS A 3 -18.965 -12.295 -4.405 1.00 0.00 N ATOM 27 CD2 HIS A 3 -19.070 -12.213 -6.577 1.00 0.00 C ATOM 28 CE1 HIS A 3 -17.755 -12.035 -4.849 1.00 0.00 C ATOM 29 NE2 HIS A 3 -17.787 -11.983 -6.161 1.00 0.00 N ATOM 0 H HIS A 3 -23.846 -12.545 -5.166 1.00 0.00 H new ATOM 0 HA HIS A 3 -21.646 -11.219 -3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -21.442 -13.533 -4.669 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.714 -12.942 -6.296 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.416 -12.232 -7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.878 -11.888 -4.235 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.988 -11.801 -6.769 1.00 0.00 H new ATOM 38 N MET A 4 -23.152 -9.866 -6.238 1.00 0.00 N ATOM 39 CA MET A 4 -23.242 -8.647 -7.040 1.00 0.00 C ATOM 40 C MET A 4 -22.981 -7.465 -6.139 1.00 0.00 C ATOM 41 O MET A 4 -23.795 -7.152 -5.264 1.00 0.00 O ATOM 42 CB MET A 4 -24.626 -8.492 -7.686 1.00 0.00 C ATOM 43 CG MET A 4 -24.963 -9.521 -8.745 1.00 0.00 C ATOM 44 SD MET A 4 -26.610 -9.265 -9.444 1.00 0.00 S ATOM 45 CE MET A 4 -26.649 -10.576 -10.671 1.00 0.00 C ATOM 0 H MET A 4 -24.028 -10.383 -6.161 1.00 0.00 H new ATOM 0 HA MET A 4 -22.505 -8.703 -7.841 1.00 0.00 H new ATOM 0 HB2 MET A 4 -25.382 -8.540 -6.902 1.00 0.00 H new ATOM 0 HB3 MET A 4 -24.692 -7.500 -8.133 1.00 0.00 H new ATOM 0 HG2 MET A 4 -24.221 -9.476 -9.542 1.00 0.00 H new ATOM 0 HG3 MET A 4 -24.905 -10.519 -8.311 1.00 0.00 H new ATOM 0 HE1 MET A 4 -27.605 -10.556 -11.195 1.00 0.00 H new ATOM 0 HE2 MET A 4 -25.840 -10.429 -11.387 1.00 0.00 H new ATOM 0 HE3 MET A 4 -26.526 -11.540 -10.177 1.00 0.00 H new ATOM 55 N GLY A 5 -21.852 -6.841 -6.323 1.00 0.00 N ATOM 56 CA GLY A 5 -21.462 -5.776 -5.453 1.00 0.00 C ATOM 57 C GLY A 5 -20.661 -6.348 -4.313 1.00 0.00 C ATOM 58 O GLY A 5 -20.817 -5.958 -3.151 1.00 0.00 O ATOM 0 H GLY A 5 -21.188 -7.053 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -20.870 -5.041 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.342 -5.258 -5.073 1.00 0.00 H new ATOM 62 N GLY A 6 -19.849 -7.324 -4.641 1.00 0.00 N ATOM 63 CA GLY A 6 -19.028 -7.978 -3.669 1.00 0.00 C ATOM 64 C GLY A 6 -17.588 -7.620 -3.823 1.00 0.00 C ATOM 65 O GLY A 6 -16.706 -8.359 -3.390 1.00 0.00 O ATOM 0 H GLY A 6 -19.744 -7.682 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.364 -7.706 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.145 -9.058 -3.763 1.00 0.00 H new ATOM 69 N SER A 7 -17.341 -6.525 -4.472 1.00 0.00 N ATOM 70 CA SER A 7 -16.031 -6.006 -4.602 1.00 0.00 C ATOM 71 C SER A 7 -15.788 -5.045 -3.445 1.00 0.00 C ATOM 72 O SER A 7 -16.722 -4.395 -2.962 1.00 0.00 O ATOM 73 CB SER A 7 -15.886 -5.344 -5.973 1.00 0.00 C ATOM 74 OG SER A 7 -16.272 -6.235 -7.017 1.00 0.00 O ATOM 0 H SER A 7 -18.060 -5.964 -4.930 1.00 0.00 H new ATOM 0 HA SER A 7 -15.276 -6.790 -4.551 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.500 -4.445 -6.013 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.853 -5.031 -6.122 1.00 0.00 H new ATOM 0 HG SER A 7 -16.172 -5.787 -7.883 1.00 0.00 H new ATOM 80 N MET A 8 -14.580 -4.980 -2.974 1.00 0.00 N ATOM 81 CA MET A 8 -14.300 -4.230 -1.793 1.00 0.00 C ATOM 82 C MET A 8 -13.274 -3.195 -2.030 1.00 0.00 C ATOM 83 O MET A 8 -12.288 -3.460 -2.697 1.00 0.00 O ATOM 84 CB MET A 8 -13.772 -5.124 -0.713 1.00 0.00 C ATOM 85 CG MET A 8 -14.410 -6.457 -0.540 1.00 0.00 C ATOM 86 SD MET A 8 -16.113 -6.470 -0.013 1.00 0.00 S ATOM 87 CE MET A 8 -16.253 -8.242 0.225 1.00 0.00 C ATOM 0 H MET A 8 -13.771 -5.440 -3.393 1.00 0.00 H new ATOM 0 HA MET A 8 -15.240 -3.764 -1.498 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.710 -5.283 -0.900 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.853 -4.589 0.233 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.344 -6.991 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.825 -7.022 0.186 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.168 -8.464 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.283 -8.738 -0.745 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.393 -8.602 0.790 1.00 0.00 H new ATOM 97 N LYS A 9 -13.483 -2.019 -1.502 1.00 0.00 N ATOM 98 CA LYS A 9 -12.503 -1.007 -1.557 1.00 0.00 C ATOM 99 C LYS A 9 -11.720 -1.032 -0.249 1.00 0.00 C ATOM 100 O LYS A 9 -12.163 -0.523 0.790 1.00 0.00 O ATOM 101 CB LYS A 9 -13.151 0.326 -1.840 1.00 0.00 C ATOM 102 CG LYS A 9 -12.187 1.452 -2.033 1.00 0.00 C ATOM 103 CD LYS A 9 -12.757 2.484 -2.970 1.00 0.00 C ATOM 104 CE LYS A 9 -14.101 3.018 -2.517 1.00 0.00 C ATOM 105 NZ LYS A 9 -14.565 4.126 -3.373 1.00 0.00 N ATOM 0 H LYS A 9 -14.344 -1.751 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.800 -1.179 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.767 0.234 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.820 0.574 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.960 1.912 -1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.248 1.069 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.055 3.313 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.862 2.047 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.836 2.213 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.027 3.362 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.487 4.465 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.876 4.904 -3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.660 3.791 -4.353 1.00 0.00 H new ATOM 119 N ILE A 10 -10.585 -1.662 -0.327 1.00 0.00 N ATOM 120 CA ILE A 10 -9.749 -1.960 0.784 1.00 0.00 C ATOM 121 C ILE A 10 -8.491 -1.114 0.751 1.00 0.00 C ATOM 122 O ILE A 10 -7.924 -0.894 -0.316 1.00 0.00 O ATOM 123 CB ILE A 10 -9.369 -3.445 0.680 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.617 -4.299 0.819 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.307 -3.834 1.686 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.429 -5.719 0.408 1.00 0.00 C ATOM 0 H ILE A 10 -10.204 -1.995 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.272 -1.747 1.716 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.931 -3.621 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.949 -4.273 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.414 -3.860 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.071 -4.892 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.408 -3.242 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.676 -3.649 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.365 -6.262 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.128 -5.758 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.656 -6.177 1.025 1.00 0.00 H new ATOM 138 N ARG A 11 -8.077 -0.632 1.908 1.00 0.00 N ATOM 139 CA ARG A 11 -6.831 0.060 2.044 1.00 0.00 C ATOM 140 C ARG A 11 -5.706 -0.879 1.919 1.00 0.00 C ATOM 141 O ARG A 11 -5.707 -1.943 2.514 1.00 0.00 O ATOM 142 CB ARG A 11 -6.717 0.722 3.403 1.00 0.00 C ATOM 143 CG ARG A 11 -7.428 2.047 3.479 1.00 0.00 C ATOM 144 CD ARG A 11 -7.214 2.688 4.820 1.00 0.00 C ATOM 145 NE ARG A 11 -7.995 3.907 4.976 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.155 4.560 6.126 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.536 4.140 7.224 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.920 5.633 6.172 1.00 0.00 N ATOM 0 H ARG A 11 -8.605 -0.715 2.777 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.798 0.813 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.126 0.054 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.664 0.868 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.063 2.707 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.494 1.904 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.484 1.982 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.156 2.917 4.947 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.451 4.287 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.936 3.316 7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.660 4.642 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.388 5.962 5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.043 6.134 7.052 1.00 0.00 H new ATOM 162 N VAL A 12 -4.789 -0.528 1.136 1.00 0.00 N ATOM 163 CA VAL A 12 -3.657 -1.316 0.931 1.00 0.00 C ATOM 164 C VAL A 12 -2.437 -0.549 1.377 1.00 0.00 C ATOM 165 O VAL A 12 -2.275 0.593 0.929 1.00 0.00 O ATOM 166 CB VAL A 12 -3.506 -1.562 -0.607 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.362 -2.507 -0.870 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.785 -2.143 -1.180 1.00 0.00 C ATOM 0 H VAL A 12 -4.799 0.340 0.601 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.752 -2.251 1.482 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.304 -0.606 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.265 -2.672 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.438 -2.076 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.554 -3.458 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.662 -2.308 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.005 -3.091 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.608 -1.448 -1.012 1.00 0.00 H new ATOM 178 N GLU A 13 -1.618 -1.094 2.278 1.00 0.00 N ATOM 179 CA GLU A 13 -0.337 -0.476 2.505 1.00 0.00 C ATOM 180 C GLU A 13 0.572 -0.926 1.392 1.00 0.00 C ATOM 181 O GLU A 13 0.415 -2.008 0.889 1.00 0.00 O ATOM 182 CB GLU A 13 0.462 -0.793 3.791 1.00 0.00 C ATOM 183 CG GLU A 13 0.177 0.084 4.995 1.00 0.00 C ATOM 184 CD GLU A 13 1.199 -0.112 6.110 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.196 -1.155 6.783 1.00 0.00 O ATOM 186 OE2 GLU A 13 2.026 0.804 6.352 1.00 0.00 O ATOM 0 H GLU A 13 -1.817 -1.926 2.834 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.598 0.580 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.266 -1.829 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.525 -0.721 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.175 1.130 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.820 -0.139 5.376 1.00 0.00 H new ATOM 193 N LEU A 14 1.496 -0.121 1.022 1.00 0.00 N ATOM 194 CA LEU A 14 2.471 -0.499 0.039 1.00 0.00 C ATOM 195 C LEU A 14 3.866 -0.288 0.553 1.00 0.00 C ATOM 196 O LEU A 14 4.205 0.804 1.007 1.00 0.00 O ATOM 197 CB LEU A 14 2.212 0.292 -1.271 1.00 0.00 C ATOM 198 CG LEU A 14 3.265 0.295 -2.427 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.360 1.327 -2.203 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.870 -1.074 -2.644 1.00 0.00 C ATOM 0 H LEU A 14 1.608 0.825 1.387 1.00 0.00 H new ATOM 0 HA LEU A 14 2.375 -1.564 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.277 -0.081 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.043 1.331 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 14 2.722 0.573 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.068 1.292 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.917 2.321 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.881 1.108 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.596 -1.026 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.368 -1.401 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.083 -1.783 -2.902 1.00 0.00 H new ATOM 212 N ILE A 15 4.681 -1.323 0.514 1.00 0.00 N ATOM 213 CA ILE A 15 6.089 -1.117 0.745 1.00 0.00 C ATOM 214 C ILE A 15 6.846 -1.341 -0.562 1.00 0.00 C ATOM 215 O ILE A 15 6.972 -2.471 -1.035 1.00 0.00 O ATOM 216 CB ILE A 15 6.844 -1.980 1.855 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.330 -1.662 3.280 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.363 -1.771 1.811 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.866 -1.967 3.516 1.00 0.00 C ATOM 0 H ILE A 15 4.401 -2.286 0.330 1.00 0.00 H new ATOM 0 HA ILE A 15 6.099 -0.100 1.138 1.00 0.00 H new ATOM 0 HB ILE A 15 6.625 -3.022 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.924 -2.227 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.503 -0.605 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.836 -2.377 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.743 -2.068 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.591 -0.719 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.602 -1.711 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.257 -1.382 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.684 -3.029 3.349 1.00 0.00 H new ATOM 231 N ASN A 16 7.304 -0.268 -1.145 1.00 0.00 N ATOM 232 CA ASN A 16 8.188 -0.318 -2.320 1.00 0.00 C ATOM 233 C ASN A 16 9.528 0.249 -1.891 1.00 0.00 C ATOM 234 O ASN A 16 10.479 0.431 -2.660 1.00 0.00 O ATOM 235 CB ASN A 16 7.589 0.467 -3.499 1.00 0.00 C ATOM 236 CG ASN A 16 8.438 0.466 -4.786 1.00 0.00 C ATOM 237 OD1 ASN A 16 8.454 1.460 -5.523 1.00 0.00 O ATOM 238 ND2 ASN A 16 9.082 -0.642 -5.104 1.00 0.00 N ATOM 0 H ASN A 16 7.085 0.678 -0.832 1.00 0.00 H new ATOM 0 HA ASN A 16 8.307 -1.343 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.608 0.053 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.433 1.499 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.609 -0.693 -5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.052 -1.447 -4.478 1.00 0.00 H new ATOM 245 N GLY A 17 9.583 0.453 -0.640 1.00 0.00 N ATOM 246 CA GLY A 17 10.677 1.053 0.005 1.00 0.00 C ATOM 247 C GLY A 17 10.164 1.816 1.179 1.00 0.00 C ATOM 248 O GLY A 17 8.948 1.968 1.328 1.00 0.00 O ATOM 0 H GLY A 17 8.829 0.194 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.391 0.295 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.204 1.718 -0.679 1.00 0.00 H new ATOM 252 N ASN A 18 11.040 2.274 2.000 1.00 0.00 N ATOM 253 CA ASN A 18 10.697 3.047 3.177 1.00 0.00 C ATOM 254 C ASN A 18 11.232 4.428 3.008 1.00 0.00 C ATOM 255 O ASN A 18 11.563 5.118 3.974 1.00 0.00 O ATOM 256 CB ASN A 18 11.251 2.390 4.430 1.00 0.00 C ATOM 257 CG ASN A 18 10.323 1.355 5.061 1.00 0.00 C ATOM 258 OD1 ASN A 18 9.470 0.743 4.285 1.00 0.00 O flip ATOM 259 ND2 ASN A 18 10.370 1.128 6.261 1.00 0.00 N flip ATOM 0 H ASN A 18 12.043 2.128 1.884 1.00 0.00 H new ATOM 0 HA ASN A 18 9.614 3.091 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.198 1.910 4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.467 3.164 5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.045 1.619 6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.734 0.448 6.677 1.00 0.00 H new ATOM 266 N GLU A 19 11.294 4.818 1.740 1.00 0.00 N ATOM 267 CA GLU A 19 11.760 6.102 1.303 1.00 0.00 C ATOM 268 C GLU A 19 10.908 7.184 1.935 1.00 0.00 C ATOM 269 O GLU A 19 9.758 7.397 1.539 1.00 0.00 O ATOM 270 CB GLU A 19 11.659 6.182 -0.218 1.00 0.00 C ATOM 271 CG GLU A 19 12.410 5.081 -0.949 1.00 0.00 C ATOM 272 CD GLU A 19 12.238 5.152 -2.446 1.00 0.00 C ATOM 273 OE1 GLU A 19 13.035 5.844 -3.126 1.00 0.00 O ATOM 274 OE2 GLU A 19 11.311 4.519 -2.986 1.00 0.00 O ATOM 0 H GLU A 19 11.007 4.215 0.969 1.00 0.00 H new ATOM 0 HA GLU A 19 12.799 6.242 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.608 6.142 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.042 7.148 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.470 5.147 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.062 4.111 -0.593 1.00 0.00 H new ATOM 281 N HIS A 20 11.445 7.818 2.942 1.00 0.00 N ATOM 282 CA HIS A 20 10.726 8.827 3.654 1.00 0.00 C ATOM 283 C HIS A 20 10.718 10.112 2.895 1.00 0.00 C ATOM 284 O HIS A 20 11.719 10.820 2.825 1.00 0.00 O ATOM 285 CB HIS A 20 11.234 8.993 5.063 1.00 0.00 C ATOM 286 CG HIS A 20 10.946 7.810 5.947 1.00 0.00 C ATOM 287 ND1 HIS A 20 11.927 7.061 6.553 1.00 0.00 N ATOM 288 CD2 HIS A 20 9.773 7.248 6.319 1.00 0.00 C ATOM 289 CE1 HIS A 20 11.377 6.095 7.249 1.00 0.00 C ATOM 290 NE2 HIS A 20 10.073 6.185 7.127 1.00 0.00 N ATOM 0 H HIS A 20 12.389 7.647 3.287 1.00 0.00 H new ATOM 0 HA HIS A 20 9.691 8.498 3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.310 9.163 5.035 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.782 9.883 5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.785 7.577 6.032 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.907 5.351 7.825 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.393 5.563 7.564 1.00 0.00 H new ATOM 299 N ARG A 21 9.600 10.369 2.281 1.00 0.00 N ATOM 300 CA ARG A 21 9.394 11.519 1.443 1.00 0.00 C ATOM 301 C ARG A 21 9.418 12.785 2.267 1.00 0.00 C ATOM 302 O ARG A 21 8.733 12.897 3.282 1.00 0.00 O ATOM 303 CB ARG A 21 8.081 11.361 0.689 1.00 0.00 C ATOM 304 CG ARG A 21 8.087 10.131 -0.197 1.00 0.00 C ATOM 305 CD ARG A 21 6.736 9.827 -0.810 1.00 0.00 C ATOM 306 NE ARG A 21 6.838 8.651 -1.683 1.00 0.00 N ATOM 307 CZ ARG A 21 5.832 7.873 -2.074 1.00 0.00 C ATOM 308 NH1 ARG A 21 4.587 8.132 -1.700 1.00 0.00 N ATOM 309 NH2 ARG A 21 6.079 6.831 -2.853 1.00 0.00 N ATOM 0 H ARG A 21 8.780 9.767 2.350 1.00 0.00 H new ATOM 0 HA ARG A 21 10.202 11.594 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.259 11.292 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.902 12.247 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.817 10.270 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.414 9.272 0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.003 9.645 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.384 10.686 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 21 7.769 8.407 -2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.390 8.937 -1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.826 7.527 -2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.034 6.630 -3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.314 6.229 -3.158 1.00 0.00 H new ATOM 323 N THR A 22 10.193 13.727 1.818 1.00 0.00 N ATOM 324 CA THR A 22 10.423 14.973 2.510 1.00 0.00 C ATOM 325 C THR A 22 9.368 16.019 2.140 1.00 0.00 C ATOM 326 O THR A 22 9.660 17.214 2.042 1.00 0.00 O ATOM 327 CB THR A 22 11.821 15.480 2.138 1.00 0.00 C ATOM 328 OG1 THR A 22 11.954 15.457 0.704 1.00 0.00 O ATOM 329 CG2 THR A 22 12.890 14.598 2.757 1.00 0.00 C ATOM 0 H THR A 22 10.700 13.654 0.936 1.00 0.00 H new ATOM 0 HA THR A 22 10.352 14.805 3.585 1.00 0.00 H new ATOM 0 HB THR A 22 11.947 16.495 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.844 15.781 0.453 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.876 14.973 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.787 14.609 3.842 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.776 13.577 2.392 1.00 0.00 H new ATOM 337 N SER A 23 8.156 15.561 1.976 1.00 0.00 N ATOM 338 CA SER A 23 7.044 16.400 1.641 1.00 0.00 C ATOM 339 C SER A 23 6.784 17.375 2.785 1.00 0.00 C ATOM 340 O SER A 23 6.578 16.959 3.929 1.00 0.00 O ATOM 341 CB SER A 23 5.835 15.510 1.412 1.00 0.00 C ATOM 342 OG SER A 23 6.166 14.447 0.518 1.00 0.00 O ATOM 0 H SER A 23 7.913 14.575 2.074 1.00 0.00 H new ATOM 0 HA SER A 23 7.250 16.976 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.490 15.102 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.014 16.098 1.001 1.00 0.00 H new ATOM 0 HG SER A 23 5.379 13.879 0.379 1.00 0.00 H new ATOM 348 N SER A 24 6.822 18.659 2.486 1.00 0.00 N ATOM 349 CA SER A 24 6.601 19.695 3.492 1.00 0.00 C ATOM 350 C SER A 24 5.103 19.883 3.758 1.00 0.00 C ATOM 351 O SER A 24 4.685 20.722 4.564 1.00 0.00 O ATOM 352 CB SER A 24 7.268 20.991 3.042 1.00 0.00 C ATOM 353 OG SER A 24 8.653 20.761 2.757 1.00 0.00 O ATOM 0 H SER A 24 7.005 19.018 1.549 1.00 0.00 H new ATOM 0 HA SER A 24 7.053 19.389 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.766 21.378 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.170 21.748 3.820 1.00 0.00 H new ATOM 0 HG SER A 24 9.071 21.599 2.467 1.00 0.00 H new ATOM 359 N THR A 25 4.340 19.083 3.081 1.00 0.00 N ATOM 360 CA THR A 25 2.924 19.020 3.200 1.00 0.00 C ATOM 361 C THR A 25 2.553 17.976 4.265 1.00 0.00 C ATOM 362 O THR A 25 3.394 17.144 4.626 1.00 0.00 O ATOM 363 CB THR A 25 2.360 18.578 1.843 1.00 0.00 C ATOM 364 OG1 THR A 25 3.217 17.555 1.300 1.00 0.00 O ATOM 365 CG2 THR A 25 2.284 19.737 0.879 1.00 0.00 C ATOM 0 H THR A 25 4.711 18.424 2.396 1.00 0.00 H new ATOM 0 HA THR A 25 2.518 19.989 3.489 1.00 0.00 H new ATOM 0 HB THR A 25 1.350 18.195 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.867 17.262 0.433 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.881 19.392 -0.073 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.634 20.510 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.282 20.147 0.723 1.00 0.00 H new ATOM 373 N PRO A 26 1.307 17.991 4.784 1.00 0.00 N ATOM 374 CA PRO A 26 0.861 17.011 5.748 1.00 0.00 C ATOM 375 C PRO A 26 0.646 15.683 5.046 1.00 0.00 C ATOM 376 O PRO A 26 -0.316 15.512 4.283 1.00 0.00 O ATOM 377 CB PRO A 26 -0.482 17.567 6.262 1.00 0.00 C ATOM 378 CG PRO A 26 -0.579 18.942 5.697 1.00 0.00 C ATOM 379 CD PRO A 26 0.243 18.927 4.452 1.00 0.00 C ATOM 0 HA PRO A 26 1.575 16.845 6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.316 16.947 5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.509 17.586 7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.615 19.203 5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.205 19.683 6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.334 18.595 3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.634 19.916 4.212 1.00 0.00 H new ATOM 387 N GLN A 27 1.565 14.771 5.252 1.00 0.00 N ATOM 388 CA GLN A 27 1.548 13.471 4.601 1.00 0.00 C ATOM 389 C GLN A 27 0.539 12.539 5.178 1.00 0.00 C ATOM 390 O GLN A 27 0.247 11.486 4.624 1.00 0.00 O ATOM 391 CB GLN A 27 2.882 12.839 4.651 1.00 0.00 C ATOM 392 CG GLN A 27 4.006 13.607 4.003 1.00 0.00 C ATOM 393 CD GLN A 27 5.324 12.889 4.174 1.00 0.00 C ATOM 394 OE1 GLN A 27 6.035 13.094 5.162 1.00 0.00 O ATOM 395 NE2 GLN A 27 5.666 12.054 3.235 1.00 0.00 N ATOM 0 H GLN A 27 2.356 14.906 5.881 1.00 0.00 H new ATOM 0 HA GLN A 27 1.265 13.661 3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.141 12.668 5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.816 11.861 4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.796 13.740 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.071 14.603 4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.053 11.910 2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.547 11.544 3.302 1.00 0.00 H new ATOM 404 N GLN A 28 0.025 12.965 6.250 1.00 0.00 N ATOM 405 CA GLN A 28 -0.927 12.238 7.093 1.00 0.00 C ATOM 406 C GLN A 28 -0.294 10.967 7.720 1.00 0.00 C ATOM 407 O GLN A 28 0.608 10.351 7.149 1.00 0.00 O ATOM 408 CB GLN A 28 -2.220 11.899 6.322 1.00 0.00 C ATOM 409 CG GLN A 28 -3.052 13.107 5.921 1.00 0.00 C ATOM 410 CD GLN A 28 -3.660 13.837 7.110 1.00 0.00 C ATOM 411 OE1 GLN A 28 -3.118 13.850 8.209 1.00 0.00 O ATOM 412 NE2 GLN A 28 -4.776 14.449 6.901 1.00 0.00 N ATOM 0 H GLN A 28 0.247 13.889 6.622 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.196 12.902 7.915 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.956 11.341 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.833 11.240 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.427 13.800 5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.851 12.784 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.207 14.423 5.977 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.228 14.959 7.660 1.00 0.00 H new ATOM 421 N PRO A 29 -0.747 10.551 8.905 1.00 0.00 N ATOM 422 CA PRO A 29 -0.215 9.355 9.583 1.00 0.00 C ATOM 423 C PRO A 29 -0.831 8.054 9.036 1.00 0.00 C ATOM 424 O PRO A 29 -1.012 7.078 9.764 1.00 0.00 O ATOM 425 CB PRO A 29 -0.636 9.584 11.031 1.00 0.00 C ATOM 426 CG PRO A 29 -1.913 10.341 10.933 1.00 0.00 C ATOM 427 CD PRO A 29 -1.798 11.211 9.713 1.00 0.00 C ATOM 0 HA PRO A 29 0.859 9.234 9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.774 8.640 11.558 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.119 10.148 11.579 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.761 9.662 10.847 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.076 10.944 11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.742 11.267 9.172 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.519 12.232 9.975 1.00 0.00 H new ATOM 435 N GLN A 30 -1.055 8.026 7.743 1.00 0.00 N ATOM 436 CA GLN A 30 -1.703 6.924 7.066 1.00 0.00 C ATOM 437 C GLN A 30 -0.720 5.812 6.682 1.00 0.00 C ATOM 438 O GLN A 30 -0.856 5.206 5.607 1.00 0.00 O ATOM 439 CB GLN A 30 -2.422 7.425 5.826 1.00 0.00 C ATOM 440 CG GLN A 30 -3.513 8.453 6.089 1.00 0.00 C ATOM 441 CD GLN A 30 -4.596 7.958 7.030 1.00 0.00 C ATOM 442 OE1 GLN A 30 -4.492 8.116 8.237 1.00 0.00 O ATOM 443 NE2 GLN A 30 -5.630 7.365 6.495 1.00 0.00 N ATOM 0 H GLN A 30 -0.786 8.785 7.117 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.422 6.496 7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.687 7.861 5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.863 6.572 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.061 9.352 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.969 8.738 5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.685 7.250 5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.383 7.017 7.089 1.00 0.00 H new ATOM 452 N GLN A 31 0.201 5.483 7.617 1.00 0.00 N ATOM 453 CA GLN A 31 1.203 4.503 7.459 1.00 0.00 C ATOM 454 C GLN A 31 1.972 4.653 6.143 1.00 0.00 C ATOM 455 O GLN A 31 2.187 5.796 5.662 1.00 0.00 O ATOM 456 CB GLN A 31 0.509 3.214 7.646 1.00 0.00 C ATOM 457 CG GLN A 31 -0.077 3.038 9.053 1.00 0.00 C ATOM 458 CD GLN A 31 -0.814 1.722 9.283 1.00 0.00 C ATOM 459 OE1 GLN A 31 -0.388 0.668 8.649 1.00 0.00 O flip ATOM 460 NE2 GLN A 31 -1.767 1.669 10.065 1.00 0.00 N flip ATOM 0 H GLN A 31 0.234 5.937 8.530 1.00 0.00 H new ATOM 0 HA GLN A 31 2.004 4.598 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.294 3.132 6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.207 2.401 7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.732 3.116 9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.764 3.861 9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.078 2.512 10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.243 0.782 10.229 1.00 0.00 H new ATOM 469 N ASN A 32 2.466 3.558 5.618 1.00 0.00 N ATOM 470 CA ASN A 32 3.132 3.544 4.316 1.00 0.00 C ATOM 471 C ASN A 32 2.141 3.980 3.246 1.00 0.00 C ATOM 472 O ASN A 32 0.933 4.025 3.533 1.00 0.00 O ATOM 473 CB ASN A 32 3.644 2.130 3.976 1.00 0.00 C ATOM 474 CG ASN A 32 4.913 1.722 4.690 1.00 0.00 C ATOM 475 OD1 ASN A 32 6.021 2.000 4.229 1.00 0.00 O ATOM 476 ND2 ASN A 32 4.775 1.022 5.779 1.00 0.00 N ATOM 0 H ASN A 32 2.423 2.646 6.073 1.00 0.00 H new ATOM 0 HA ASN A 32 3.982 4.226 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.862 1.409 4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.814 2.070 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.599 0.686 6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.843 0.809 6.134 1.00 0.00 H new ATOM 483 N PRO A 33 2.613 4.358 2.012 1.00 0.00 N ATOM 484 CA PRO A 33 1.731 4.716 0.896 1.00 0.00 C ATOM 485 C PRO A 33 0.545 3.762 0.824 1.00 0.00 C ATOM 486 O PRO A 33 0.720 2.547 0.771 1.00 0.00 O ATOM 487 CB PRO A 33 2.640 4.572 -0.346 1.00 0.00 C ATOM 488 CG PRO A 33 3.976 4.124 0.166 1.00 0.00 C ATOM 489 CD PRO A 33 4.021 4.480 1.614 1.00 0.00 C ATOM 0 HA PRO A 33 1.305 5.715 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.229 3.847 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.725 5.519 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.104 3.050 0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.783 4.614 -0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.663 3.804 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.402 5.489 1.773 1.00 0.00 H new ATOM 497 N SER A 34 -0.635 4.308 0.831 1.00 0.00 N ATOM 498 CA SER A 34 -1.813 3.519 0.943 1.00 0.00 C ATOM 499 C SER A 34 -2.855 3.952 -0.065 1.00 0.00 C ATOM 500 O SER A 34 -2.812 5.090 -0.576 1.00 0.00 O ATOM 501 CB SER A 34 -2.344 3.537 2.405 1.00 0.00 C ATOM 502 OG SER A 34 -2.216 4.837 3.006 1.00 0.00 O ATOM 0 H SER A 34 -0.802 5.312 0.759 1.00 0.00 H new ATOM 0 HA SER A 34 -1.568 2.484 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.391 3.234 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.795 2.807 3.000 1.00 0.00 H new ATOM 0 HG SER A 34 -1.741 4.758 3.859 1.00 0.00 H new ATOM 508 N VAL A 35 -3.740 3.053 -0.391 1.00 0.00 N ATOM 509 CA VAL A 35 -4.808 3.318 -1.312 1.00 0.00 C ATOM 510 C VAL A 35 -5.985 2.492 -0.944 1.00 0.00 C ATOM 511 O VAL A 35 -5.827 1.421 -0.408 1.00 0.00 O ATOM 512 CB VAL A 35 -4.402 3.033 -2.810 1.00 0.00 C ATOM 513 CG1 VAL A 35 -3.970 1.599 -3.025 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.529 3.339 -3.774 1.00 0.00 C ATOM 0 H VAL A 35 -3.740 2.103 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.048 4.379 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.561 3.697 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.701 1.453 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.108 1.380 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.789 0.929 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.204 3.128 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.392 2.719 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.803 4.391 -3.691 1.00 0.00 H new ATOM 524 N SER A 36 -7.140 2.991 -1.192 1.00 0.00 N ATOM 525 CA SER A 36 -8.299 2.237 -1.038 1.00 0.00 C ATOM 526 C SER A 36 -8.633 1.720 -2.448 1.00 0.00 C ATOM 527 O SER A 36 -9.041 2.483 -3.327 1.00 0.00 O ATOM 528 CB SER A 36 -9.367 3.079 -0.466 1.00 0.00 C ATOM 529 OG SER A 36 -8.889 3.808 0.667 1.00 0.00 O ATOM 0 H SER A 36 -7.295 3.947 -1.511 1.00 0.00 H new ATOM 0 HA SER A 36 -8.183 1.400 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.733 3.773 -1.222 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.210 2.454 -0.172 1.00 0.00 H new ATOM 0 HG SER A 36 -9.613 4.361 1.029 1.00 0.00 H new ATOM 535 N HIS A 37 -8.408 0.449 -2.649 1.00 0.00 N ATOM 536 CA HIS A 37 -8.454 -0.167 -3.923 1.00 0.00 C ATOM 537 C HIS A 37 -9.595 -1.172 -3.989 1.00 0.00 C ATOM 538 O HIS A 37 -9.896 -1.834 -3.012 1.00 0.00 O ATOM 539 CB HIS A 37 -7.092 -0.852 -4.151 1.00 0.00 C ATOM 540 CG HIS A 37 -6.985 -1.643 -5.408 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.301 -2.909 -5.644 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.517 -1.143 -6.589 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.037 -3.168 -6.953 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.561 -2.076 -7.499 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.180 -0.198 -1.894 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.637 0.571 -4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.315 -0.088 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.888 -1.511 -3.307 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -7.676 -3.571 -4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.166 -0.134 -6.745 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.193 -4.111 -7.456 1.00 0.00 H new ATOM 553 N ILE A 38 -10.169 -1.277 -5.151 1.00 0.00 N ATOM 554 CA ILE A 38 -11.330 -2.138 -5.471 1.00 0.00 C ATOM 555 C ILE A 38 -10.740 -3.564 -5.750 1.00 0.00 C ATOM 556 O ILE A 38 -9.971 -3.776 -6.712 1.00 0.00 O ATOM 557 CB ILE A 38 -11.888 -1.599 -6.732 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.398 -0.142 -6.545 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.021 -2.534 -7.129 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.496 0.022 -5.504 1.00 0.00 C ATOM 0 H ILE A 38 -9.843 -0.748 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.086 -2.173 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.126 -1.554 -7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.555 0.490 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.767 0.224 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.473 -2.184 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.629 -3.541 -7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.774 -2.548 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.787 1.071 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.360 -0.578 -5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.129 -0.309 -4.533 1.00 0.00 H new ATOM 572 N PHE A 39 -11.042 -4.471 -4.906 1.00 0.00 N ATOM 573 CA PHE A 39 -10.642 -5.827 -5.055 1.00 0.00 C ATOM 574 C PHE A 39 -11.856 -6.672 -5.291 1.00 0.00 C ATOM 575 O PHE A 39 -12.922 -6.397 -4.749 1.00 0.00 O ATOM 576 CB PHE A 39 -9.930 -6.329 -3.831 1.00 0.00 C ATOM 577 CG PHE A 39 -8.574 -5.781 -3.578 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.460 -6.401 -4.104 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.408 -4.684 -2.777 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.200 -5.926 -3.840 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.156 -4.206 -2.494 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.045 -4.827 -3.028 1.00 0.00 C ATOM 0 H PHE A 39 -11.590 -4.293 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.957 -5.889 -5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.552 -6.113 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.851 -7.414 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.581 -7.271 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.274 -4.189 -2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.335 -6.412 -4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.038 -3.344 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.057 -4.451 -2.809 1.00 0.00 H new ATOM 592 N ASP A 40 -11.686 -7.689 -6.083 1.00 0.00 N ATOM 593 CA ASP A 40 -12.724 -8.607 -6.421 1.00 0.00 C ATOM 594 C ASP A 40 -12.113 -9.972 -6.618 1.00 0.00 C ATOM 595 O ASP A 40 -10.877 -10.103 -6.700 1.00 0.00 O ATOM 596 CB ASP A 40 -13.477 -8.185 -7.703 1.00 0.00 C ATOM 597 CG ASP A 40 -12.613 -8.181 -8.963 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.162 -9.238 -9.382 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.366 -7.101 -9.553 1.00 0.00 O ATOM 0 H ASP A 40 -10.792 -7.906 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.450 -8.620 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.319 -8.860 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.891 -7.187 -7.556 1.00 0.00 H new ATOM 604 N GLY A 41 -12.957 -10.945 -6.723 1.00 0.00 N ATOM 605 CA GLY A 41 -12.509 -12.318 -6.887 1.00 0.00 C ATOM 606 C GLY A 41 -12.690 -12.832 -8.289 1.00 0.00 C ATOM 607 O GLY A 41 -12.652 -14.038 -8.527 1.00 0.00 O ATOM 0 H GLY A 41 -13.970 -10.829 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.456 -12.386 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.059 -12.959 -6.197 1.00 0.00 H new ATOM 611 N GLU A 42 -12.862 -11.924 -9.220 1.00 0.00 N ATOM 612 CA GLU A 42 -13.117 -12.258 -10.564 1.00 0.00 C ATOM 613 C GLU A 42 -11.905 -11.964 -11.439 1.00 0.00 C ATOM 614 O GLU A 42 -11.712 -12.548 -12.518 1.00 0.00 O ATOM 615 CB GLU A 42 -14.331 -11.501 -11.005 1.00 0.00 C ATOM 616 CG GLU A 42 -15.583 -11.803 -10.205 1.00 0.00 C ATOM 617 CD GLU A 42 -16.016 -13.244 -10.299 1.00 0.00 C ATOM 618 OE1 GLU A 42 -16.630 -13.633 -11.308 1.00 0.00 O ATOM 619 OE2 GLU A 42 -15.782 -14.009 -9.352 1.00 0.00 O ATOM 0 H GLU A 42 -12.824 -10.920 -9.042 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.306 -13.327 -10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.122 -10.433 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.522 -11.725 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.408 -11.551 -9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.393 -11.164 -10.555 1.00 0.00 H new ATOM 626 N THR A 43 -11.113 -11.045 -10.976 1.00 0.00 N ATOM 627 CA THR A 43 -9.902 -10.671 -11.549 1.00 0.00 C ATOM 628 C THR A 43 -8.765 -11.274 -10.728 1.00 0.00 C ATOM 629 O THR A 43 -8.840 -11.301 -9.480 1.00 0.00 O ATOM 630 CB THR A 43 -9.821 -9.157 -11.515 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.846 -8.580 -12.338 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.453 -8.629 -11.882 1.00 0.00 C ATOM 0 H THR A 43 -11.331 -10.515 -10.132 1.00 0.00 H new ATOM 0 HA THR A 43 -9.825 -11.025 -12.577 1.00 0.00 H new ATOM 0 HB THR A 43 -9.990 -8.853 -10.482 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.781 -7.603 -12.304 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.460 -7.540 -11.839 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.714 -9.015 -11.180 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.198 -8.951 -12.892 1.00 0.00 H new ATOM 640 N ALA A 44 -7.757 -11.790 -11.410 1.00 0.00 N ATOM 641 CA ALA A 44 -6.584 -12.336 -10.769 1.00 0.00 C ATOM 642 C ALA A 44 -5.920 -11.311 -9.877 1.00 0.00 C ATOM 643 O ALA A 44 -5.972 -10.092 -10.136 1.00 0.00 O ATOM 644 CB ALA A 44 -5.583 -12.844 -11.793 1.00 0.00 C ATOM 0 H ALA A 44 -7.734 -11.840 -12.429 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.916 -13.174 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.711 -13.249 -11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.044 -13.626 -12.396 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.274 -12.022 -12.439 1.00 0.00 H new ATOM 650 N VAL A 45 -5.293 -11.815 -8.844 1.00 0.00 N ATOM 651 CA VAL A 45 -4.574 -11.024 -7.867 1.00 0.00 C ATOM 652 C VAL A 45 -3.587 -10.123 -8.553 1.00 0.00 C ATOM 653 O VAL A 45 -3.578 -8.924 -8.329 1.00 0.00 O ATOM 654 CB VAL A 45 -3.757 -11.923 -6.926 1.00 0.00 C ATOM 655 CG1 VAL A 45 -2.923 -11.073 -6.005 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.695 -12.761 -6.120 1.00 0.00 C ATOM 0 H VAL A 45 -5.266 -12.816 -8.651 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.317 -10.453 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.098 -12.564 -7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.346 -11.715 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.244 -10.457 -6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.575 -10.430 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.124 -13.403 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.349 -12.115 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.297 -13.378 -6.787 1.00 0.00 H new ATOM 666 N LYS A 46 -2.799 -10.735 -9.403 1.00 0.00 N ATOM 667 CA LYS A 46 -1.707 -10.067 -10.134 1.00 0.00 C ATOM 668 C LYS A 46 -2.224 -8.845 -10.865 1.00 0.00 C ATOM 669 O LYS A 46 -1.602 -7.821 -10.883 1.00 0.00 O ATOM 670 CB LYS A 46 -1.108 -10.983 -11.157 1.00 0.00 C ATOM 671 CG LYS A 46 -0.644 -12.311 -10.644 1.00 0.00 C ATOM 672 CD LYS A 46 -0.331 -13.201 -11.814 1.00 0.00 C ATOM 673 CE LYS A 46 -1.593 -13.698 -12.519 1.00 0.00 C ATOM 674 NZ LYS A 46 -1.283 -14.568 -13.672 1.00 0.00 N ATOM 0 H LYS A 46 -2.886 -11.727 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.956 -9.783 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.845 -11.154 -11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.261 -10.477 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.240 -12.186 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.414 -12.765 -10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.290 -12.657 -12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.252 -14.056 -11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.212 -14.246 -11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.178 -12.843 -12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.168 -14.881 -14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.715 -14.039 -14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.747 -15.398 -13.347 1.00 0.00 H new ATOM 688 N ASP A 47 -3.363 -8.985 -11.466 1.00 0.00 N ATOM 689 CA ASP A 47 -3.964 -7.903 -12.217 1.00 0.00 C ATOM 690 C ASP A 47 -4.380 -6.775 -11.290 1.00 0.00 C ATOM 691 O ASP A 47 -4.201 -5.605 -11.612 1.00 0.00 O ATOM 692 CB ASP A 47 -5.119 -8.378 -13.063 1.00 0.00 C ATOM 693 CG ASP A 47 -4.741 -9.221 -14.257 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.520 -8.663 -15.347 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.692 -10.470 -14.142 1.00 0.00 O ATOM 0 H ASP A 47 -3.910 -9.846 -11.457 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.210 -7.518 -12.903 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.797 -8.954 -12.433 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.673 -7.507 -13.414 1.00 0.00 H new ATOM 700 N HIS A 48 -4.900 -7.131 -10.126 1.00 0.00 N ATOM 701 CA HIS A 48 -5.220 -6.150 -9.091 1.00 0.00 C ATOM 702 C HIS A 48 -3.912 -5.461 -8.658 1.00 0.00 C ATOM 703 O HIS A 48 -3.873 -4.254 -8.406 1.00 0.00 O ATOM 704 CB HIS A 48 -5.887 -6.813 -7.881 1.00 0.00 C ATOM 705 CG HIS A 48 -7.249 -7.400 -8.086 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.376 -6.657 -8.346 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.666 -8.684 -8.028 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.409 -7.443 -8.429 1.00 0.00 C ATOM 709 NE2 HIS A 48 -9.011 -8.676 -8.239 1.00 0.00 N ATOM 0 H HIS A 48 -5.112 -8.095 -9.870 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.923 -5.421 -9.494 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.228 -7.605 -7.524 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.955 -6.072 -7.085 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.049 -9.552 -7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.425 -7.131 -8.622 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.613 -9.499 -8.248 1.00 0.00 H new ATOM 718 N ILE A 49 -2.876 -6.255 -8.607 1.00 0.00 N ATOM 719 CA ILE A 49 -1.548 -5.827 -8.277 1.00 0.00 C ATOM 720 C ILE A 49 -0.968 -4.901 -9.335 1.00 0.00 C ATOM 721 O ILE A 49 -0.426 -3.878 -8.978 1.00 0.00 O ATOM 722 CB ILE A 49 -0.649 -7.026 -7.933 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.138 -7.642 -6.627 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.818 -6.610 -7.827 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.265 -8.733 -6.113 1.00 0.00 C ATOM 0 H ILE A 49 -2.939 -7.254 -8.802 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.599 -5.222 -7.372 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.711 -7.764 -8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.209 -6.860 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.144 -8.034 -6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.426 -7.481 -7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.147 -6.192 -8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.928 -5.860 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.678 -9.121 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.213 -9.535 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.736 -8.343 -5.931 1.00 0.00 H new ATOM 737 N LYS A 50 -1.133 -5.215 -10.634 1.00 0.00 N ATOM 738 CA LYS A 50 -0.679 -4.307 -11.690 1.00 0.00 C ATOM 739 C LYS A 50 -1.306 -2.921 -11.533 1.00 0.00 C ATOM 740 O LYS A 50 -0.661 -1.904 -11.807 1.00 0.00 O ATOM 741 CB LYS A 50 -0.949 -4.848 -13.108 1.00 0.00 C ATOM 742 CG LYS A 50 -0.171 -6.072 -13.506 1.00 0.00 C ATOM 743 CD LYS A 50 -0.336 -6.334 -14.993 1.00 0.00 C ATOM 744 CE LYS A 50 0.459 -7.538 -15.449 1.00 0.00 C ATOM 745 NZ LYS A 50 0.280 -7.786 -16.894 1.00 0.00 N ATOM 0 H LYS A 50 -1.569 -6.075 -10.967 1.00 0.00 H new ATOM 0 HA LYS A 50 0.402 -4.229 -11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.012 -5.074 -13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.733 -4.056 -13.825 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.884 -5.936 -13.268 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.518 -6.934 -12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.391 -6.490 -15.219 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.017 -5.455 -15.553 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.516 -7.381 -15.233 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.146 -8.417 -14.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.838 -8.618 -17.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.726 -7.960 -17.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.602 -6.956 -17.431 1.00 0.00 H new ATOM 759 N VAL A 51 -2.539 -2.889 -11.070 1.00 0.00 N ATOM 760 CA VAL A 51 -3.230 -1.644 -10.826 1.00 0.00 C ATOM 761 C VAL A 51 -2.621 -0.935 -9.638 1.00 0.00 C ATOM 762 O VAL A 51 -2.260 0.237 -9.739 1.00 0.00 O ATOM 763 CB VAL A 51 -4.715 -1.832 -10.573 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.366 -0.502 -10.304 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.395 -2.559 -11.696 1.00 0.00 C ATOM 0 H VAL A 51 -3.086 -3.722 -10.854 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.118 -1.047 -11.731 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.826 -2.460 -9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.431 -0.648 -10.124 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.909 -0.044 -9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.230 0.151 -11.166 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.455 -2.669 -11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.279 -1.992 -12.620 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.945 -3.545 -11.816 1.00 0.00 H new ATOM 775 N LEU A 52 -2.525 -1.625 -8.525 1.00 0.00 N ATOM 776 CA LEU A 52 -1.913 -1.087 -7.323 1.00 0.00 C ATOM 777 C LEU A 52 -0.539 -0.564 -7.605 1.00 0.00 C ATOM 778 O LEU A 52 -0.231 0.561 -7.233 1.00 0.00 O ATOM 779 CB LEU A 52 -1.854 -2.173 -6.280 1.00 0.00 C ATOM 780 CG LEU A 52 -3.193 -2.578 -5.762 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.127 -3.963 -5.226 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.638 -1.616 -4.706 1.00 0.00 C ATOM 0 H LEU A 52 -2.869 -2.580 -8.423 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.514 -0.254 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.359 -3.046 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.240 -1.832 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.920 -2.559 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.107 -4.254 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.826 -4.646 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.399 -4.005 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.616 -1.915 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.919 -1.617 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.703 -0.614 -5.131 1.00 0.00 H new ATOM 794 N LEU A 53 0.268 -1.357 -8.299 1.00 0.00 N ATOM 795 CA LEU A 53 1.594 -0.956 -8.664 1.00 0.00 C ATOM 796 C LEU A 53 1.535 0.321 -9.458 1.00 0.00 C ATOM 797 O LEU A 53 2.196 1.265 -9.126 1.00 0.00 O ATOM 798 CB LEU A 53 2.296 -2.063 -9.443 1.00 0.00 C ATOM 799 CG LEU A 53 2.446 -3.376 -8.712 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.194 -4.344 -9.565 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.123 -3.189 -7.377 1.00 0.00 C ATOM 0 H LEU A 53 0.010 -2.291 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 53 2.176 -0.775 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.743 -2.241 -10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.287 -1.710 -9.729 1.00 0.00 H new ATOM 0 HG LEU A 53 1.453 -3.778 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.300 -5.290 -9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.648 -4.508 -10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.182 -3.942 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.215 -4.153 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.115 -2.763 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.529 -2.516 -6.759 1.00 0.00 H new ATOM 813 N THR A 54 0.687 0.355 -10.460 1.00 0.00 N ATOM 814 CA THR A 54 0.512 1.501 -11.246 1.00 0.00 C ATOM 815 C THR A 54 0.072 2.748 -10.468 1.00 0.00 C ATOM 816 O THR A 54 0.592 3.850 -10.685 1.00 0.00 O ATOM 817 CB THR A 54 -0.375 1.183 -12.456 1.00 0.00 C ATOM 818 OG1 THR A 54 0.245 0.247 -13.331 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.857 2.370 -13.183 1.00 0.00 C ATOM 0 H THR A 54 0.104 -0.435 -10.736 1.00 0.00 H new ATOM 0 HA THR A 54 1.497 1.784 -11.618 1.00 0.00 H new ATOM 0 HB THR A 54 -1.270 0.720 -12.040 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.053 -0.659 -13.105 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.476 2.056 -14.023 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.447 2.994 -12.511 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.005 2.940 -13.554 1.00 0.00 H new ATOM 827 N HIS A 55 -0.804 2.567 -9.521 1.00 0.00 N ATOM 828 CA HIS A 55 -1.262 3.652 -8.689 1.00 0.00 C ATOM 829 C HIS A 55 -0.173 4.122 -7.706 1.00 0.00 C ATOM 830 O HIS A 55 -0.085 5.303 -7.383 1.00 0.00 O ATOM 831 CB HIS A 55 -2.600 3.258 -8.040 1.00 0.00 C ATOM 832 CG HIS A 55 -3.178 4.280 -7.098 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.101 5.221 -7.472 1.00 0.00 N ATOM 834 CD2 HIS A 55 -2.947 4.490 -5.785 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.408 5.970 -6.441 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.723 5.550 -5.404 1.00 0.00 N ATOM 0 H HIS A 55 -1.223 1.664 -9.301 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.457 4.536 -9.296 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.326 3.063 -8.830 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.461 2.323 -7.497 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.276 3.927 -5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.107 6.794 -6.445 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.763 5.949 -4.466 1.00 0.00 H new ATOM 845 N PHE A 56 0.657 3.205 -7.268 1.00 0.00 N ATOM 846 CA PHE A 56 1.792 3.529 -6.414 1.00 0.00 C ATOM 847 C PHE A 56 3.021 3.926 -7.229 1.00 0.00 C ATOM 848 O PHE A 56 4.078 4.265 -6.672 1.00 0.00 O ATOM 849 CB PHE A 56 2.127 2.366 -5.518 1.00 0.00 C ATOM 850 CG PHE A 56 1.123 2.119 -4.451 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.849 3.100 -3.529 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.469 0.911 -4.361 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.062 2.888 -2.526 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.445 0.680 -3.358 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.708 1.675 -2.435 1.00 0.00 C ATOM 0 H PHE A 56 0.571 2.213 -7.489 1.00 0.00 H new ATOM 0 HA PHE A 56 1.503 4.384 -5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.224 1.467 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.098 2.544 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.358 4.050 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.675 0.136 -5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.272 3.669 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.953 -0.271 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.420 1.501 -1.642 1.00 0.00 H new ATOM 865 N LYS A 57 2.865 3.854 -8.530 1.00 0.00 N ATOM 866 CA LYS A 57 3.879 4.222 -9.532 1.00 0.00 C ATOM 867 C LYS A 57 5.065 3.257 -9.552 1.00 0.00 C ATOM 868 O LYS A 57 6.219 3.641 -9.745 1.00 0.00 O ATOM 869 CB LYS A 57 4.301 5.681 -9.386 1.00 0.00 C ATOM 870 CG LYS A 57 3.188 6.619 -9.687 1.00 0.00 C ATOM 871 CD LYS A 57 3.648 8.037 -9.615 1.00 0.00 C ATOM 872 CE LYS A 57 2.654 8.927 -10.292 1.00 0.00 C ATOM 873 NZ LYS A 57 1.305 8.854 -9.674 1.00 0.00 N ATOM 0 H LYS A 57 1.997 3.525 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 57 3.412 4.125 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.656 5.855 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.137 5.885 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.792 6.412 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.374 6.461 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.769 8.337 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.623 8.137 -10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.010 9.956 -10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.583 8.651 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.698 9.595 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.886 7.921 -9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.386 8.994 -8.647 1.00 0.00 H new ATOM 887 N ILE A 58 4.738 2.015 -9.398 1.00 0.00 N ATOM 888 CA ILE A 58 5.628 0.925 -9.452 1.00 0.00 C ATOM 889 C ILE A 58 5.374 0.214 -10.770 1.00 0.00 C ATOM 890 O ILE A 58 4.207 0.079 -11.155 1.00 0.00 O ATOM 891 CB ILE A 58 5.273 -0.027 -8.325 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.371 0.717 -7.020 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.178 -1.255 -8.333 1.00 0.00 C ATOM 894 CD1 ILE A 58 4.909 -0.083 -5.885 1.00 0.00 C ATOM 0 H ILE A 58 3.776 1.727 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 58 6.665 1.248 -9.365 1.00 0.00 H new ATOM 0 HB ILE A 58 4.254 -0.389 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.406 1.016 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.780 1.631 -7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.899 -1.918 -7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.067 -1.782 -9.281 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.215 -0.943 -8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.000 0.499 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.866 -0.361 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.516 -0.985 -5.804 1.00 0.00 H new ATOM 906 N PRO A 59 6.404 -0.204 -11.515 1.00 0.00 N ATOM 907 CA PRO A 59 6.203 -0.942 -12.757 1.00 0.00 C ATOM 908 C PRO A 59 5.443 -2.215 -12.524 1.00 0.00 C ATOM 909 O PRO A 59 5.735 -2.982 -11.594 1.00 0.00 O ATOM 910 CB PRO A 59 7.609 -1.254 -13.241 1.00 0.00 C ATOM 911 CG PRO A 59 8.454 -0.242 -12.586 1.00 0.00 C ATOM 912 CD PRO A 59 7.827 0.022 -11.247 1.00 0.00 C ATOM 0 HA PRO A 59 5.620 -0.369 -13.478 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.910 -2.264 -12.963 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.679 -1.188 -14.327 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.477 -0.602 -12.473 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.501 0.670 -13.181 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.208 -0.652 -10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.019 1.038 -10.902 1.00 0.00 H new ATOM 920 N VAL A 60 4.485 -2.448 -13.382 1.00 0.00 N ATOM 921 CA VAL A 60 3.661 -3.613 -13.330 1.00 0.00 C ATOM 922 C VAL A 60 4.427 -4.877 -13.562 1.00 0.00 C ATOM 923 O VAL A 60 3.921 -5.940 -13.340 1.00 0.00 O ATOM 924 CB VAL A 60 2.515 -3.536 -14.367 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.592 -2.414 -14.027 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.026 -3.368 -15.767 1.00 0.00 C ATOM 0 H VAL A 60 4.256 -1.817 -14.150 1.00 0.00 H new ATOM 0 HA VAL A 60 3.252 -3.637 -12.320 1.00 0.00 H new ATOM 0 HB VAL A 60 1.977 -4.483 -14.326 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.789 -2.368 -14.763 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.168 -2.579 -13.037 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.144 -1.474 -14.033 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.184 -3.319 -16.458 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.605 -2.447 -15.835 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.660 -4.216 -16.027 1.00 0.00 H new ATOM 936 N ASP A 61 5.665 -4.750 -14.010 1.00 0.00 N ATOM 937 CA ASP A 61 6.517 -5.909 -14.246 1.00 0.00 C ATOM 938 C ASP A 61 6.877 -6.560 -12.916 1.00 0.00 C ATOM 939 O ASP A 61 7.171 -7.752 -12.848 1.00 0.00 O ATOM 940 CB ASP A 61 7.786 -5.509 -15.007 1.00 0.00 C ATOM 941 CG ASP A 61 8.669 -6.689 -15.370 1.00 0.00 C ATOM 942 OD1 ASP A 61 9.545 -7.069 -14.575 1.00 0.00 O ATOM 943 OD2 ASP A 61 8.528 -7.237 -16.489 1.00 0.00 O ATOM 0 H ASP A 61 6.106 -3.854 -14.219 1.00 0.00 H new ATOM 0 HA ASP A 61 5.970 -6.626 -14.859 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.503 -4.982 -15.919 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.360 -4.809 -14.399 1.00 0.00 H new ATOM 948 N LYS A 62 6.755 -5.789 -11.841 1.00 0.00 N ATOM 949 CA LYS A 62 7.102 -6.237 -10.527 1.00 0.00 C ATOM 950 C LYS A 62 5.984 -7.030 -9.876 1.00 0.00 C ATOM 951 O LYS A 62 6.124 -7.508 -8.768 1.00 0.00 O ATOM 952 CB LYS A 62 7.479 -5.078 -9.679 1.00 0.00 C ATOM 953 CG LYS A 62 8.730 -4.401 -10.157 1.00 0.00 C ATOM 954 CD LYS A 62 9.199 -3.473 -9.118 1.00 0.00 C ATOM 955 CE LYS A 62 10.478 -2.745 -9.517 1.00 0.00 C ATOM 956 NZ LYS A 62 11.608 -3.670 -9.766 1.00 0.00 N ATOM 0 H LYS A 62 6.408 -4.830 -11.873 1.00 0.00 H new ATOM 0 HA LYS A 62 7.955 -6.909 -10.623 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.661 -4.358 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.621 -5.414 -8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.499 -5.142 -10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.535 -3.861 -11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.418 -2.741 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.372 -4.025 -8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.291 -2.156 -10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.754 -2.045 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.485 -3.123 -9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.710 -4.319 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.424 -4.218 -10.630 1.00 0.00 H new ATOM 970 N VAL A 63 4.867 -7.135 -10.593 1.00 0.00 N ATOM 971 CA VAL A 63 3.644 -7.910 -10.238 1.00 0.00 C ATOM 972 C VAL A 63 4.014 -9.338 -9.809 1.00 0.00 C ATOM 973 O VAL A 63 3.342 -9.954 -8.973 1.00 0.00 O ATOM 974 CB VAL A 63 2.802 -7.903 -11.529 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.217 -8.871 -12.622 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.371 -8.073 -11.197 1.00 0.00 C ATOM 0 H VAL A 63 4.769 -6.661 -11.491 1.00 0.00 H new ATOM 0 HA VAL A 63 3.100 -7.482 -9.396 1.00 0.00 H new ATOM 0 HB VAL A 63 2.993 -6.925 -11.971 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.546 -8.767 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.238 -8.651 -12.935 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.166 -9.892 -12.243 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.782 -8.067 -12.114 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.228 -9.022 -10.680 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.047 -7.256 -10.552 1.00 0.00 H new ATOM 986 N SER A 64 5.096 -9.812 -10.392 1.00 0.00 N ATOM 987 CA SER A 64 5.726 -11.055 -10.060 1.00 0.00 C ATOM 988 C SER A 64 6.053 -11.091 -8.564 1.00 0.00 C ATOM 989 O SER A 64 5.552 -11.931 -7.790 1.00 0.00 O ATOM 990 CB SER A 64 7.074 -11.116 -10.807 1.00 0.00 C ATOM 991 OG SER A 64 7.744 -9.851 -10.785 1.00 0.00 O ATOM 0 H SER A 64 5.574 -9.313 -11.142 1.00 0.00 H new ATOM 0 HA SER A 64 5.063 -11.878 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.710 -11.874 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.905 -11.422 -11.840 1.00 0.00 H new ATOM 0 HG SER A 64 7.490 -9.332 -11.577 1.00 0.00 H new ATOM 997 N SER A 65 6.832 -10.113 -8.162 1.00 0.00 N ATOM 998 CA SER A 65 7.360 -10.007 -6.854 1.00 0.00 C ATOM 999 C SER A 65 6.435 -9.281 -5.920 1.00 0.00 C ATOM 1000 O SER A 65 6.818 -8.949 -4.848 1.00 0.00 O ATOM 1001 CB SER A 65 8.709 -9.284 -6.879 1.00 0.00 C ATOM 1002 OG SER A 65 9.601 -9.879 -7.821 1.00 0.00 O ATOM 0 H SER A 65 7.116 -9.348 -8.774 1.00 0.00 H new ATOM 0 HA SER A 65 7.485 -11.025 -6.485 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.557 -8.235 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.156 -9.310 -5.885 1.00 0.00 H new ATOM 0 HG SER A 65 9.962 -10.711 -7.449 1.00 0.00 H new ATOM 1008 N TYR A 66 5.241 -9.038 -6.302 1.00 0.00 N ATOM 1009 CA TYR A 66 4.332 -8.394 -5.406 1.00 0.00 C ATOM 1010 C TYR A 66 3.291 -9.324 -4.939 1.00 0.00 C ATOM 1011 O TYR A 66 2.889 -10.233 -5.651 1.00 0.00 O ATOM 1012 CB TYR A 66 3.768 -7.092 -5.940 1.00 0.00 C ATOM 1013 CG TYR A 66 4.674 -5.924 -5.677 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.566 -5.224 -4.500 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.631 -5.534 -6.578 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.381 -4.165 -4.215 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.458 -4.473 -6.315 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.329 -3.788 -5.127 1.00 0.00 C ATOM 1019 OH TYR A 66 7.146 -2.723 -4.862 1.00 0.00 O ATOM 0 H TYR A 66 4.861 -9.269 -7.220 1.00 0.00 H new ATOM 0 HA TYR A 66 4.916 -8.100 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.602 -7.185 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.797 -6.905 -5.482 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.817 -5.519 -3.780 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.735 -6.071 -7.509 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.278 -3.632 -3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.206 -4.176 -7.035 1.00 0.00 H new ATOM 0 HH TYR A 66 7.658 -2.899 -4.045 1.00 0.00 H new ATOM 1029 N ALA A 67 2.926 -9.159 -3.706 1.00 0.00 N ATOM 1030 CA ALA A 67 1.956 -9.979 -3.086 1.00 0.00 C ATOM 1031 C ALA A 67 1.198 -9.162 -2.070 1.00 0.00 C ATOM 1032 O ALA A 67 1.716 -8.160 -1.554 1.00 0.00 O ATOM 1033 CB ALA A 67 2.629 -11.196 -2.417 1.00 0.00 C ATOM 0 H ALA A 67 3.307 -8.434 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 67 1.260 -10.353 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.869 -11.818 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.157 -11.780 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.337 -10.852 -1.663 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.001 -9.570 -1.802 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.801 -8.966 -0.788 1.00 0.00 C ATOM 1041 C LEU A 68 -0.514 -9.684 0.510 1.00 0.00 C ATOM 1042 O LEU A 68 0.045 -10.775 0.485 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.261 -9.087 -1.170 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.643 -8.390 -2.478 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.043 -8.751 -2.858 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.508 -6.873 -2.351 1.00 0.00 C ATOM 0 H LEU A 68 -0.457 -10.342 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.570 -7.907 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.514 -10.144 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.868 -8.674 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.960 -8.727 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.307 -8.251 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.117 -9.830 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.727 -8.435 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.785 -6.403 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.166 -6.514 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.476 -6.619 -2.109 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.820 -9.076 1.611 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.543 -9.643 2.919 1.00 0.00 C ATOM 1060 C GLN A 69 -1.586 -9.166 3.934 1.00 0.00 C ATOM 1061 O GLN A 69 -2.158 -8.084 3.780 1.00 0.00 O ATOM 1062 CB GLN A 69 0.888 -9.247 3.379 1.00 0.00 C ATOM 1063 CG GLN A 69 1.277 -9.753 4.765 1.00 0.00 C ATOM 1064 CD GLN A 69 2.558 -9.157 5.294 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.488 -8.873 4.558 1.00 0.00 O ATOM 1066 NE2 GLN A 69 2.586 -8.906 6.567 1.00 0.00 N ATOM 0 H GLN A 69 -1.274 -8.163 1.642 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.598 -10.730 2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.606 -9.629 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.970 -8.160 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.469 -9.531 5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.379 -10.838 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.790 -9.157 7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.404 -8.458 6.981 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.841 -9.998 4.924 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.757 -9.717 6.022 1.00 0.00 C ATOM 1077 C ASN A 70 -1.982 -8.997 7.136 1.00 0.00 C ATOM 1078 O ASN A 70 -0.853 -9.384 7.446 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.284 -11.037 6.592 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.365 -10.854 7.664 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -4.056 -10.657 8.836 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.620 -10.980 7.286 1.00 0.00 N ATOM 0 H ASN A 70 -1.405 -10.918 4.993 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.583 -9.103 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.689 -11.639 5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.452 -11.597 7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.369 -10.914 7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.843 -11.143 6.304 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.567 -7.964 7.753 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.906 -7.194 8.826 1.00 0.00 C ATOM 1091 C PRO A 71 -1.736 -7.941 10.170 1.00 0.00 C ATOM 1092 O PRO A 71 -0.873 -7.573 10.976 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.827 -5.992 9.023 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.161 -6.432 8.527 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.899 -7.409 7.421 1.00 0.00 C ATOM 0 HA PRO A 71 -0.883 -6.958 8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.874 -5.701 10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.467 -5.126 8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.739 -6.896 9.326 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.741 -5.583 8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.660 -8.188 7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.898 -6.920 6.447 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.519 -8.973 10.418 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.457 -9.628 11.707 1.00 0.00 C ATOM 1105 C PHE A 72 -1.763 -10.952 11.657 1.00 0.00 C ATOM 1106 O PHE A 72 -0.955 -11.270 12.518 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.850 -9.802 12.318 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.502 -8.505 12.709 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.316 -7.980 13.973 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.294 -7.808 11.813 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.903 -6.785 14.337 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.884 -6.611 12.172 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.687 -6.100 13.434 1.00 0.00 C ATOM 0 H PHE A 72 -3.191 -9.368 9.760 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.866 -8.968 12.342 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.489 -10.319 11.603 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.774 -10.441 13.198 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.703 -8.512 14.686 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.453 -8.205 10.821 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.748 -6.387 15.329 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.499 -6.077 11.463 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.146 -5.164 13.716 1.00 0.00 H new ATOM 1123 N THR A 73 -2.056 -11.706 10.652 1.00 0.00 N ATOM 1124 CA THR A 73 -1.533 -13.047 10.529 1.00 0.00 C ATOM 1125 C THR A 73 -0.225 -13.037 9.771 1.00 0.00 C ATOM 1126 O THR A 73 0.567 -13.983 9.853 1.00 0.00 O ATOM 1127 CB THR A 73 -2.532 -13.917 9.783 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.664 -13.420 8.433 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.886 -13.845 10.462 1.00 0.00 C ATOM 0 H THR A 73 -2.665 -11.420 9.885 1.00 0.00 H new ATOM 0 HA THR A 73 -1.363 -13.447 11.529 1.00 0.00 H new ATOM 0 HB THR A 73 -2.182 -14.949 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.305 -13.975 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.597 -14.471 9.923 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.797 -14.199 11.489 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.238 -12.813 10.463 1.00 0.00 H new ATOM 1137 N LEU A 74 -0.021 -11.963 9.012 1.00 0.00 N ATOM 1138 CA LEU A 74 1.153 -11.757 8.170 1.00 0.00 C ATOM 1139 C LEU A 74 1.198 -12.755 7.032 1.00 0.00 C ATOM 1140 O LEU A 74 2.231 -12.936 6.371 1.00 0.00 O ATOM 1141 CB LEU A 74 2.451 -11.759 8.977 1.00 0.00 C ATOM 1142 CG LEU A 74 2.525 -10.774 10.116 1.00 0.00 C ATOM 1143 CD1 LEU A 74 3.950 -10.526 10.490 1.00 0.00 C ATOM 1144 CD2 LEU A 74 1.785 -9.479 9.827 1.00 0.00 C ATOM 0 H LEU A 74 -0.686 -11.191 8.965 1.00 0.00 H new ATOM 0 HA LEU A 74 1.061 -10.763 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.604 -12.761 9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.279 -11.559 8.296 1.00 0.00 H new ATOM 0 HG LEU A 74 2.013 -11.221 10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.991 -9.813 11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.414 -11.463 10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.486 -10.120 9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.874 -8.810 10.683 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.217 -9.002 8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.733 -9.695 9.643 1.00 0.00 H new ATOM 1156 N ALA A 75 0.055 -13.359 6.767 1.00 0.00 N ATOM 1157 CA ALA A 75 -0.065 -14.298 5.703 1.00 0.00 C ATOM 1158 C ALA A 75 -0.281 -13.546 4.440 1.00 0.00 C ATOM 1159 O ALA A 75 -1.000 -12.539 4.421 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.223 -15.250 5.951 1.00 0.00 C ATOM 0 H ALA A 75 -0.806 -13.203 7.291 1.00 0.00 H new ATOM 0 HA ALA A 75 0.845 -14.894 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.295 -15.958 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.055 -15.793 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.151 -14.683 6.025 1.00 0.00 H new ATOM 1166 N TYR A 76 0.333 -13.992 3.406 1.00 0.00 N ATOM 1167 CA TYR A 76 0.207 -13.349 2.146 1.00 0.00 C ATOM 1168 C TYR A 76 -0.984 -13.849 1.424 1.00 0.00 C ATOM 1169 O TYR A 76 -1.802 -14.621 1.957 1.00 0.00 O ATOM 1170 CB TYR A 76 1.391 -13.638 1.258 1.00 0.00 C ATOM 1171 CG TYR A 76 2.667 -12.952 1.571 1.00 0.00 C ATOM 1172 CD1 TYR A 76 2.933 -12.344 2.792 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.620 -12.937 0.618 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.133 -11.752 3.031 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.822 -12.372 0.827 1.00 0.00 C ATOM 1176 CZ TYR A 76 5.089 -11.778 2.048 1.00 0.00 C ATOM 1177 OH TYR A 76 6.310 -11.200 2.262 1.00 0.00 O ATOM 0 H TYR A 76 0.938 -14.813 3.407 1.00 0.00 H new ATOM 0 HA TYR A 76 0.132 -12.281 2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.573 -14.712 1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.114 -13.382 0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.176 -12.342 3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.412 -13.391 -0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.330 -11.270 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.572 -12.382 0.050 1.00 0.00 H new ATOM 0 HH TYR A 76 6.922 -11.862 2.647 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.105 -13.393 0.235 1.00 0.00 N ATOM 1188 CA VAL A 77 -2.016 -13.920 -0.713 1.00 0.00 C ATOM 1189 C VAL A 77 -1.133 -14.423 -1.832 1.00 0.00 C ATOM 1190 O VAL A 77 -0.577 -13.627 -2.598 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.992 -12.837 -1.260 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.917 -13.412 -2.320 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.807 -12.218 -0.133 1.00 0.00 C ATOM 0 H VAL A 77 -0.552 -12.613 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.646 -14.691 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.387 -12.056 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.586 -12.631 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.325 -13.796 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.505 -14.222 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.480 -11.465 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.389 -12.994 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.136 -11.751 0.588 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.922 -15.709 -1.863 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.048 -16.330 -2.841 1.00 0.00 C ATOM 1205 C GLU A 78 -0.881 -16.987 -3.914 1.00 0.00 C ATOM 1206 O GLU A 78 -0.402 -17.737 -4.764 1.00 0.00 O ATOM 1207 CB GLU A 78 0.859 -17.306 -2.151 1.00 0.00 C ATOM 1208 CG GLU A 78 1.801 -16.626 -1.157 1.00 0.00 C ATOM 1209 CD GLU A 78 2.730 -17.575 -0.456 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.334 -18.164 0.567 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.877 -17.746 -0.901 1.00 0.00 O ATOM 0 H GLU A 78 -1.350 -16.366 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 78 0.579 -15.580 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.257 -18.049 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.447 -17.841 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.392 -15.877 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.207 -16.097 -0.412 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.133 -16.641 -3.856 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.159 -17.067 -4.728 1.00 0.00 C ATOM 1220 C ASP A 79 -3.046 -16.398 -6.052 1.00 0.00 C ATOM 1221 O ASP A 79 -2.408 -15.345 -6.202 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.517 -16.632 -4.148 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.791 -17.172 -2.766 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.270 -16.621 -1.784 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.557 -18.166 -2.628 1.00 0.00 O ATOM 0 H ASP A 79 -2.478 -16.004 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.076 -18.148 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.556 -15.543 -4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.310 -16.960 -4.820 1.00 0.00 H new ATOM 1230 N SER A 80 -3.652 -17.007 -7.000 1.00 0.00 N ATOM 1231 CA SER A 80 -3.765 -16.500 -8.304 1.00 0.00 C ATOM 1232 C SER A 80 -4.950 -15.554 -8.374 1.00 0.00 C ATOM 1233 O SER A 80 -4.897 -14.499 -9.012 1.00 0.00 O ATOM 1234 CB SER A 80 -3.958 -17.645 -9.232 1.00 0.00 C ATOM 1235 OG SER A 80 -2.893 -18.588 -9.121 1.00 0.00 O ATOM 0 H SER A 80 -4.102 -17.914 -6.877 1.00 0.00 H new ATOM 0 HA SER A 80 -2.867 -15.950 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.906 -18.137 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.017 -17.279 -10.257 1.00 0.00 H new ATOM 0 HG SER A 80 -3.048 -19.331 -9.741 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.004 -15.933 -7.699 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.211 -15.174 -7.608 1.00 0.00 C ATOM 1243 C PHE A 81 -7.601 -15.003 -6.161 1.00 0.00 C ATOM 1244 O PHE A 81 -7.245 -15.808 -5.312 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.325 -15.856 -8.339 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.278 -15.753 -9.814 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.368 -16.485 -10.530 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.146 -14.924 -10.485 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.317 -16.400 -11.899 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.107 -14.833 -11.853 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.193 -15.572 -12.562 1.00 0.00 C ATOM 0 H PHE A 81 -6.040 -16.811 -7.181 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.035 -14.199 -8.063 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.323 -16.911 -8.066 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.271 -15.440 -7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.682 -17.137 -10.011 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.865 -14.339 -9.930 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.593 -16.980 -12.453 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.794 -14.181 -12.372 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.162 -15.503 -13.639 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.331 -13.966 -5.910 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.828 -13.650 -4.594 1.00 0.00 C ATOM 1263 C LEU A 82 -10.148 -14.303 -4.374 1.00 0.00 C ATOM 1264 O LEU A 82 -10.927 -14.500 -5.311 1.00 0.00 O ATOM 1265 CB LEU A 82 -8.983 -12.146 -4.449 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.712 -11.419 -4.035 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.919 -9.923 -4.013 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.246 -11.926 -2.665 1.00 0.00 C ATOM 0 H LEU A 82 -8.610 -13.294 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.117 -14.017 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.329 -11.736 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.760 -11.943 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.937 -11.630 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.993 -9.432 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.206 -9.581 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.707 -9.675 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.336 -11.402 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.024 -11.741 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.046 -12.996 -2.722 1.00 0.00 H new ATOM 1280 N THR A 83 -10.389 -14.657 -3.165 1.00 0.00 N ATOM 1281 CA THR A 83 -11.627 -15.195 -2.789 1.00 0.00 C ATOM 1282 C THR A 83 -12.442 -14.071 -2.155 1.00 0.00 C ATOM 1283 O THR A 83 -11.854 -13.100 -1.637 1.00 0.00 O ATOM 1284 CB THR A 83 -11.436 -16.346 -1.770 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.728 -15.859 -0.627 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.653 -17.491 -2.391 1.00 0.00 C ATOM 0 H THR A 83 -9.716 -14.576 -2.403 1.00 0.00 H new ATOM 0 HA THR A 83 -12.139 -15.604 -3.660 1.00 0.00 H new ATOM 0 HB THR A 83 -12.419 -16.712 -1.474 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.609 -16.587 0.018 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.531 -18.288 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.193 -17.874 -3.257 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.672 -17.133 -2.705 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.782 -14.140 -2.209 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.651 -13.169 -1.523 1.00 0.00 C ATOM 1296 C PRO A 84 -14.345 -13.166 -0.032 1.00 0.00 C ATOM 1297 O PRO A 84 -14.381 -12.123 0.614 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.058 -13.704 -1.800 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.904 -14.486 -3.060 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.564 -15.133 -2.972 1.00 0.00 C ATOM 0 HA PRO A 84 -14.520 -12.142 -1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.415 -14.330 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.777 -12.894 -1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.693 -15.232 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.969 -13.838 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.610 -16.094 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.136 -15.317 -3.958 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.997 -14.339 0.487 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.584 -14.493 1.853 1.00 0.00 C ATOM 1310 C GLU A 85 -12.369 -13.643 2.155 1.00 0.00 C ATOM 1311 O GLU A 85 -12.366 -12.918 3.132 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.324 -15.948 2.176 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.574 -16.801 2.169 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.289 -18.225 2.537 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.712 -18.472 3.630 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.653 -19.137 1.769 1.00 0.00 O ATOM 0 H GLU A 85 -13.998 -15.210 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.397 -14.146 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.615 -16.351 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.853 -16.016 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.300 -16.385 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.029 -16.767 1.179 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.360 -13.701 1.290 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.174 -12.887 1.458 1.00 0.00 C ATOM 1325 C ARG A 86 -10.488 -11.417 1.444 1.00 0.00 C ATOM 1326 O ARG A 86 -9.885 -10.650 2.189 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.101 -13.189 0.440 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.264 -14.420 0.719 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.679 -14.404 2.126 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.101 -13.092 2.494 1.00 0.00 N ATOM 1331 CZ ARG A 86 -5.849 -12.891 2.908 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -4.925 -13.844 2.755 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -5.514 -11.701 3.418 1.00 0.00 N ATOM 0 H ARG A 86 -11.346 -14.305 0.468 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.784 -13.152 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.573 -13.306 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.437 -12.327 0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.877 -15.312 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.455 -14.482 -0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.459 -14.665 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.907 -15.170 2.202 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.709 -12.276 2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.175 -14.732 2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.969 -13.684 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.212 -10.961 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.560 -11.534 3.738 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.418 -11.036 0.602 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.858 -9.669 0.493 1.00 0.00 C ATOM 1349 C LEU A 87 -12.517 -9.221 1.784 1.00 0.00 C ATOM 1350 O LEU A 87 -12.194 -8.182 2.321 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.828 -9.540 -0.664 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.304 -9.962 -2.015 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.342 -9.695 -3.086 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.014 -9.239 -2.314 1.00 0.00 C ATOM 0 H LEU A 87 -11.895 -11.675 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.994 -9.030 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.714 -10.134 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.149 -8.500 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.101 -11.033 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.952 -10.004 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.248 -10.259 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.574 -8.630 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.641 -9.548 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.192 -8.164 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.275 -9.482 -1.550 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.418 -10.025 2.268 1.00 0.00 N ATOM 1367 CA VAL A 88 -14.098 -9.793 3.483 1.00 0.00 C ATOM 1368 C VAL A 88 -13.193 -9.786 4.703 1.00 0.00 C ATOM 1369 O VAL A 88 -13.313 -8.912 5.583 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.275 -10.766 3.582 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.798 -10.736 4.953 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.374 -10.499 2.597 1.00 0.00 C ATOM 0 H VAL A 88 -13.701 -10.887 1.802 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.492 -8.777 3.474 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.895 -11.756 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.638 -11.426 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -15.013 -11.033 5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.132 -9.727 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.170 -11.231 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.772 -9.497 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.980 -10.574 1.583 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.302 -10.729 4.751 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.272 -10.790 5.770 1.00 0.00 C ATOM 1384 C GLU A 89 -10.349 -9.563 5.722 1.00 0.00 C ATOM 1385 O GLU A 89 -9.753 -9.180 6.730 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.446 -12.030 5.612 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.109 -13.305 6.079 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.512 -13.230 7.524 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -10.648 -12.926 8.378 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -12.700 -13.451 7.829 1.00 0.00 O ATOM 0 H GLU A 89 -12.260 -11.494 4.078 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.780 -10.805 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.182 -12.140 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.514 -11.900 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.989 -13.502 5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.427 -14.143 5.935 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.183 -9.009 4.543 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.380 -7.807 4.353 1.00 0.00 C ATOM 1399 C ALA A 90 -10.176 -6.534 4.648 1.00 0.00 C ATOM 1400 O ALA A 90 -9.615 -5.555 5.141 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.806 -7.764 2.963 1.00 0.00 C ATOM 0 H ALA A 90 -10.597 -9.373 3.685 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.559 -7.850 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.211 -6.859 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.174 -8.638 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.617 -7.764 2.234 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.483 -6.542 4.343 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.374 -5.414 4.656 1.00 0.00 C ATOM 1409 C GLU A 91 -12.380 -5.075 6.138 1.00 0.00 C ATOM 1410 O GLU A 91 -12.699 -3.956 6.544 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.766 -5.665 4.152 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.986 -5.212 2.740 1.00 0.00 C ATOM 1413 CD GLU A 91 -14.011 -3.708 2.630 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -12.961 -3.061 2.743 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.107 -3.141 2.463 1.00 0.00 O ATOM 0 H GLU A 91 -11.948 -7.321 3.878 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.976 -4.544 4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.981 -6.731 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.476 -5.155 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.195 -5.610 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.927 -5.619 2.371 1.00 0.00 H new ATOM 1422 N LYS A 92 -12.051 -6.064 6.920 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.872 -5.957 8.351 1.00 0.00 C ATOM 1424 C LYS A 92 -10.869 -4.852 8.702 1.00 0.00 C ATOM 1425 O LYS A 92 -11.048 -4.118 9.665 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.339 -7.281 8.840 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.258 -8.453 8.539 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.499 -8.476 9.398 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.511 -9.481 8.859 1.00 0.00 C ATOM 1430 NZ LYS A 92 -15.251 -8.963 7.705 1.00 0.00 N ATOM 0 H LYS A 92 -11.892 -7.008 6.569 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.824 -5.709 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.367 -7.464 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.177 -7.223 9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.552 -8.415 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.708 -9.383 8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.233 -8.735 10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.946 -7.482 9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.993 -10.397 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -15.214 -9.745 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.047 -9.597 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.613 -8.013 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.618 -8.911 6.881 1.00 0.00 H new ATOM 1444 N SER A 93 -9.806 -4.757 7.928 1.00 0.00 N ATOM 1445 CA SER A 93 -8.789 -3.764 8.169 1.00 0.00 C ATOM 1446 C SER A 93 -8.147 -3.172 6.889 1.00 0.00 C ATOM 1447 O SER A 93 -8.612 -2.148 6.363 1.00 0.00 O ATOM 1448 CB SER A 93 -7.762 -4.288 9.136 1.00 0.00 C ATOM 1449 OG SER A 93 -8.361 -4.620 10.392 1.00 0.00 O ATOM 0 H SER A 93 -9.628 -5.360 7.125 1.00 0.00 H new ATOM 0 HA SER A 93 -9.297 -2.914 8.624 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.278 -5.170 8.716 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.984 -3.539 9.287 1.00 0.00 H new ATOM 0 HG SER A 93 -7.706 -4.495 11.110 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.103 -3.811 6.402 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.369 -3.396 5.214 1.00 0.00 C ATOM 1457 C TYR A 94 -5.646 -4.621 4.626 1.00 0.00 C ATOM 1458 O TYR A 94 -5.707 -5.722 5.192 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.241 -2.345 5.499 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.235 -2.494 6.589 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.627 -2.543 7.896 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.882 -2.469 6.300 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.701 -2.589 8.919 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.945 -2.493 7.295 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.352 -2.558 8.613 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.413 -2.565 9.624 1.00 0.00 O ATOM 0 H TYR A 94 -6.728 -4.657 6.830 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.110 -2.952 4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.677 -2.241 4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.744 -1.394 5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.680 -2.546 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.560 -2.430 5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.026 -2.649 9.947 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.893 -2.461 7.052 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.514 -2.541 9.235 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.958 -4.391 3.531 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.032 -5.329 2.903 1.00 0.00 C ATOM 1478 C PHE A 95 -2.668 -4.677 2.923 1.00 0.00 C ATOM 1479 O PHE A 95 -2.592 -3.478 2.987 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.374 -5.580 1.418 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.243 -6.766 1.098 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.923 -8.027 1.575 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.337 -6.631 0.259 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.684 -9.129 1.228 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.104 -7.728 -0.085 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.777 -8.979 0.400 1.00 0.00 C ATOM 0 H PHE A 95 -5.026 -3.508 3.025 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.080 -6.276 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.866 -4.688 1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.438 -5.691 0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.070 -8.151 2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.594 -5.657 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.422 -10.107 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.959 -7.607 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.375 -9.837 0.132 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.611 -5.443 2.935 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.270 -4.882 2.754 1.00 0.00 C ATOM 1498 C ILE A 96 0.273 -5.429 1.420 1.00 0.00 C ATOM 1499 O ILE A 96 0.182 -6.611 1.152 1.00 0.00 O ATOM 1500 CB ILE A 96 0.760 -5.191 3.925 1.00 0.00 C ATOM 1501 CG1 ILE A 96 0.350 -4.597 5.267 1.00 0.00 C ATOM 1502 CG2 ILE A 96 2.115 -4.653 3.583 1.00 0.00 C ATOM 1503 CD1 ILE A 96 -0.820 -5.247 5.900 1.00 0.00 C ATOM 0 H ILE A 96 -1.636 -6.454 3.066 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.369 -3.797 2.761 1.00 0.00 H new ATOM 0 HB ILE A 96 0.774 -6.277 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.197 -4.659 5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.130 -3.539 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.809 -4.872 4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.471 -5.120 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.053 -3.574 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.038 -4.758 6.850 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.684 -5.162 5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.600 -6.300 6.076 1.00 0.00 H new ATOM 1515 N LEU A 97 0.830 -4.588 0.621 1.00 0.00 N ATOM 1516 CA LEU A 97 1.309 -4.924 -0.695 1.00 0.00 C ATOM 1517 C LEU A 97 2.792 -4.676 -0.658 1.00 0.00 C ATOM 1518 O LEU A 97 3.230 -3.563 -0.401 1.00 0.00 O ATOM 1519 CB LEU A 97 0.615 -3.983 -1.703 1.00 0.00 C ATOM 1520 CG LEU A 97 0.652 -4.282 -3.228 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.678 -3.457 -3.930 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.869 -5.753 -3.525 1.00 0.00 C ATOM 0 H LEU A 97 0.975 -3.608 0.865 1.00 0.00 H new ATOM 0 HA LEU A 97 1.101 -5.953 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.434 -3.922 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.043 -2.990 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.331 -4.008 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.672 -3.696 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.450 -2.400 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.663 -3.672 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.887 -5.908 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.818 -6.074 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.058 -6.336 -3.088 1.00 0.00 H new ATOM 1534 N ARG A 98 3.566 -5.699 -0.818 1.00 0.00 N ATOM 1535 CA ARG A 98 4.998 -5.529 -0.742 1.00 0.00 C ATOM 1536 C ARG A 98 5.603 -6.484 -1.686 1.00 0.00 C ATOM 1537 O ARG A 98 4.899 -7.328 -2.291 1.00 0.00 O ATOM 1538 CB ARG A 98 5.645 -5.880 0.625 1.00 0.00 C ATOM 1539 CG ARG A 98 4.863 -5.726 1.864 1.00 0.00 C ATOM 1540 CD ARG A 98 4.390 -7.094 2.284 1.00 0.00 C ATOM 1541 NE ARG A 98 3.731 -7.674 1.205 1.00 0.00 N ATOM 1542 CZ ARG A 98 3.981 -8.862 0.824 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.260 -9.215 0.693 1.00 0.00 N ATOM 1544 NH2 ARG A 98 3.031 -9.635 0.368 1.00 0.00 N ATOM 0 H ARG A 98 3.248 -6.651 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 98 5.173 -4.472 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.972 -6.919 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.541 -5.268 0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.473 -5.276 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.014 -5.062 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.235 -7.711 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.722 -7.019 3.142 1.00 0.00 H new ATOM 0 HE ARG A 98 3.027 -7.131 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.998 -8.541 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.500 -10.159 0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.073 -9.288 0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.247 -10.585 0.066 1.00 0.00 H new ATOM 1558 N MET A 99 6.882 -6.410 -1.761 1.00 0.00 N ATOM 1559 CA MET A 99 7.617 -7.276 -2.547 1.00 0.00 C ATOM 1560 C MET A 99 7.800 -8.575 -1.795 1.00 0.00 C ATOM 1561 O MET A 99 7.960 -8.585 -0.561 1.00 0.00 O ATOM 1562 CB MET A 99 8.963 -6.687 -2.898 1.00 0.00 C ATOM 1563 CG MET A 99 8.887 -5.330 -3.561 1.00 0.00 C ATOM 1564 SD MET A 99 10.406 -4.848 -4.401 1.00 0.00 S ATOM 1565 CE MET A 99 10.389 -5.998 -5.783 1.00 0.00 C ATOM 0 H MET A 99 7.442 -5.722 -1.258 1.00 0.00 H new ATOM 0 HA MET A 99 7.080 -7.452 -3.479 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.559 -6.603 -1.989 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.487 -7.375 -3.561 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.069 -5.333 -4.282 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.645 -4.580 -2.807 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.007 -5.605 -6.591 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.784 -6.961 -5.460 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.366 -6.126 -6.138 1.00 0.00 H new ATOM 1575 N LYS A 100 7.674 -9.645 -2.502 1.00 0.00 N ATOM 1576 CA LYS A 100 7.905 -10.947 -1.999 1.00 0.00 C ATOM 1577 C LYS A 100 9.372 -11.070 -1.647 1.00 0.00 C ATOM 1578 O LYS A 100 10.223 -10.563 -2.393 1.00 0.00 O ATOM 1579 CB LYS A 100 7.560 -11.981 -3.045 1.00 0.00 C ATOM 1580 CG LYS A 100 6.123 -12.073 -3.448 1.00 0.00 C ATOM 1581 CD LYS A 100 5.981 -13.301 -4.314 1.00 0.00 C ATOM 1582 CE LYS A 100 4.554 -13.658 -4.604 1.00 0.00 C ATOM 1583 NZ LYS A 100 3.927 -12.809 -5.648 1.00 0.00 N ATOM 0 H LYS A 100 7.396 -9.632 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 100 7.282 -11.114 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.151 -11.774 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.873 -12.957 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.481 -12.145 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.818 -11.180 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.506 -13.137 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.466 -14.143 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.506 -14.700 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.974 -13.576 -3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.095 -13.296 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.633 -11.904 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.613 -12.631 -6.409 1.00 0.00 H new ATOM 1597 N PRO A 101 9.696 -11.681 -0.514 1.00 0.00 N ATOM 1598 CA PRO A 101 11.071 -11.862 -0.090 1.00 0.00 C ATOM 1599 C PRO A 101 11.826 -12.742 -1.045 1.00 0.00 C ATOM 1600 O PRO A 101 11.599 -13.949 -1.130 1.00 0.00 O ATOM 1601 CB PRO A 101 10.958 -12.530 1.271 1.00 0.00 C ATOM 1602 CG PRO A 101 9.589 -12.203 1.703 1.00 0.00 C ATOM 1603 CD PRO A 101 8.771 -12.240 0.466 1.00 0.00 C ATOM 0 HA PRO A 101 11.616 -10.919 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 101 11.111 -13.607 1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.702 -12.146 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.225 -12.922 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.549 -11.220 2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.464 -13.254 0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.862 -11.645 0.558 1.00 0.00 H new ATOM 1611 N HIS A 102 12.658 -12.128 -1.800 1.00 0.00 N ATOM 1612 CA HIS A 102 13.477 -12.824 -2.739 1.00 0.00 C ATOM 1613 C HIS A 102 14.678 -13.393 -2.066 1.00 0.00 C ATOM 1614 O HIS A 102 15.527 -12.659 -1.538 1.00 0.00 O ATOM 1615 CB HIS A 102 13.878 -11.970 -3.944 1.00 0.00 C ATOM 1616 CG HIS A 102 12.846 -11.921 -5.028 1.00 0.00 C ATOM 1617 ND1 HIS A 102 12.941 -12.667 -6.182 1.00 0.00 N ATOM 1618 CD2 HIS A 102 11.711 -11.203 -5.146 1.00 0.00 C ATOM 1619 CE1 HIS A 102 11.915 -12.406 -6.957 1.00 0.00 C ATOM 1620 NE2 HIS A 102 11.155 -11.525 -6.358 1.00 0.00 N ATOM 0 H HIS A 102 12.797 -11.118 -1.789 1.00 0.00 H new ATOM 0 HA HIS A 102 12.870 -13.639 -3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 102 14.082 -10.954 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 102 14.807 -12.360 -4.359 1.00 0.00 H new ATOM 0 HD1 HIS A 102 13.693 -13.321 -6.400 1.00 0.00 H new ATOM 0 HD2 HIS A 102 11.314 -10.506 -4.423 1.00 0.00 H new ATOM 0 HE1 HIS A 102 11.729 -12.844 -7.926 1.00 0.00 H new ATOM 1629 N ALA A 103 14.726 -14.679 -2.028 1.00 0.00 N ATOM 1630 CA ALA A 103 15.833 -15.384 -1.493 1.00 0.00 C ATOM 1631 C ALA A 103 16.888 -15.502 -2.577 1.00 0.00 C ATOM 1632 O ALA A 103 16.674 -15.029 -3.708 1.00 0.00 O ATOM 1633 CB ALA A 103 15.391 -16.747 -0.999 1.00 0.00 C ATOM 0 H ALA A 103 13.980 -15.281 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 103 16.253 -14.850 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 103 16.248 -17.281 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.635 -16.625 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 103 14.971 -17.316 -1.828 1.00 0.00 H new ATOM 1639 N ILE A 104 18.004 -16.089 -2.273 1.00 0.00 N ATOM 1640 CA ILE A 104 19.029 -16.230 -3.218 1.00 0.00 C ATOM 1641 C ILE A 104 18.720 -17.372 -4.168 1.00 0.00 C ATOM 1642 O ILE A 104 18.625 -18.543 -3.752 1.00 0.00 O ATOM 1643 CB ILE A 104 20.357 -16.425 -2.524 1.00 0.00 C ATOM 1644 CG1 ILE A 104 20.736 -15.166 -1.735 1.00 0.00 C ATOM 1645 CG2 ILE A 104 21.430 -16.820 -3.502 1.00 0.00 C ATOM 1646 CD1 ILE A 104 22.048 -15.266 -1.002 1.00 0.00 C ATOM 0 H ILE A 104 18.215 -16.480 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 104 19.095 -15.318 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 104 20.260 -17.246 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 104 20.780 -14.321 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 104 19.946 -14.951 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 104 22.374 -16.953 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 104 21.152 -17.755 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 104 21.543 -16.039 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.240 -14.334 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 104 22.004 -16.088 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 104 22.851 -15.448 -1.716 1.00 0.00 H new ATOM 1658 N ALA A 105 18.501 -17.029 -5.409 1.00 0.00 N ATOM 1659 CA ALA A 105 18.207 -17.972 -6.445 1.00 0.00 C ATOM 1660 C ALA A 105 18.407 -17.335 -7.796 1.00 0.00 C ATOM 1661 O ALA A 105 17.526 -16.642 -8.306 1.00 0.00 O ATOM 1662 CB ALA A 105 16.787 -18.516 -6.329 1.00 0.00 C ATOM 0 H ALA A 105 18.524 -16.062 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 105 18.894 -18.811 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 105 16.603 -19.228 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 105 16.666 -19.015 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 105 16.075 -17.694 -6.403 1.00 0.00 H new ATOM 1668 N ASP A 106 19.572 -17.508 -8.334 1.00 0.00 N ATOM 1669 CA ASP A 106 19.872 -17.064 -9.673 1.00 0.00 C ATOM 1670 C ASP A 106 20.273 -18.248 -10.477 1.00 0.00 C ATOM 1671 O ASP A 106 21.457 -18.537 -10.665 1.00 0.00 O ATOM 1672 CB ASP A 106 20.930 -15.955 -9.738 1.00 0.00 C ATOM 1673 CG ASP A 106 20.430 -14.642 -9.198 1.00 0.00 C ATOM 1674 OD1 ASP A 106 19.690 -13.928 -9.912 1.00 0.00 O ATOM 1675 OD2 ASP A 106 20.764 -14.284 -8.066 1.00 0.00 O ATOM 0 H ASP A 106 20.352 -17.963 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 106 18.973 -16.607 -10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 106 21.809 -16.264 -9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 106 21.247 -15.821 -10.772 1.00 0.00 H new ATOM 1680 N ARG A 107 19.274 -18.987 -10.862 1.00 0.00 N ATOM 1681 CA ARG A 107 19.443 -20.217 -11.573 1.00 0.00 C ATOM 1682 C ARG A 107 19.521 -19.928 -13.055 1.00 0.00 C ATOM 1683 O ARG A 107 20.635 -19.832 -13.585 1.00 0.00 O ATOM 1684 CB ARG A 107 18.274 -21.160 -11.261 1.00 0.00 C ATOM 1685 CG ARG A 107 18.095 -21.444 -9.773 1.00 0.00 C ATOM 1686 CD ARG A 107 16.888 -22.327 -9.511 1.00 0.00 C ATOM 1687 NE ARG A 107 16.676 -22.566 -8.075 1.00 0.00 N ATOM 1688 CZ ARG A 107 15.586 -23.146 -7.540 1.00 0.00 C ATOM 1689 NH1 ARG A 107 14.580 -23.534 -8.322 1.00 0.00 N ATOM 1690 NH2 ARG A 107 15.512 -23.335 -6.222 1.00 0.00 N ATOM 1691 OXT ARG A 107 18.470 -19.710 -13.679 1.00 0.00 O ATOM 0 H ARG A 107 18.299 -18.745 -10.686 1.00 0.00 H new ATOM 0 HA ARG A 107 20.367 -20.703 -11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.354 -20.725 -11.652 1.00 0.00 H new ATOM 0 HB3 ARG A 107 18.429 -22.103 -11.786 1.00 0.00 H new ATOM 0 HG2 ARG A 107 18.991 -21.928 -9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.982 -20.503 -9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.999 -21.860 -9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.020 -23.281 -10.021 1.00 0.00 H new ATOM 0 HE ARG A 107 17.413 -22.269 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.634 -23.392 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.756 -23.973 -7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.281 -23.040 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.686 -23.775 -5.815 1.00 0.00 H new TER 1705 ARG A 107