USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 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 39 GLN : amide:sc= -0.718 K(o=-0.58,f=-4.4!) USER MOD Set 1.2: A 95 TYR OH : rot 22:sc= 0.14 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= -2.36! USER MOD Set 2.2: A 57 SER OG : rot 170:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0883 X(o=-0.088,f=-0.55) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.86! C(o=-0.86!,f=-2.9!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 21 SER OG : rot 180:sc= -0.427 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00495 USER MOD Single : A 28 THR OG1 : rot -39:sc= -2.91! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -97:sc= 1.42 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 152:sc= -7.6! (180deg=-10.8!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.352 USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= 0.828 (180deg=0.0303) USER MOD Single : A 49 SER OG : rot -44:sc= 0.804 USER MOD Single : A 54 SER OG : rot -51:sc= 0.0113 USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00186 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 75 SER OG : rot -49:sc= 0.602 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.651 X(o=-0.65,f=-0.65) USER MOD Single : A 78 THR OG1 : rot -92:sc= -0.2 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.056) USER MOD Single : A 83 MET CE :methyl -133:sc= -25.5! (180deg=-27.3!) USER MOD Single : A 84 ASN : amide:sc= -1.24! C(o=-1.2!,f=-2.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 94 TYR OH : rot -15:sc= -0.327 USER MOD Single : A 100 LYS NZ :NH3+ -112:sc= -0.978 (180deg=-2.65!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -100:sc= -1.98! USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 111 THR OG1 : rot -140:sc= 0.194 USER MOD Single : A 114 THR OG1 : rot 180:sc=-0.00508 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.602 10.700 -14.120 1.00 0.00 N ATOM 11 CA VAL A 2 -11.482 9.759 -13.829 1.00 0.00 C ATOM 12 C VAL A 2 -12.040 8.338 -13.679 1.00 0.00 C ATOM 13 O VAL A 2 -13.151 8.140 -13.225 1.00 0.00 O ATOM 14 CB VAL A 2 -10.759 10.194 -12.544 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.726 9.137 -12.145 1.00 0.00 C ATOM 16 CG2 VAL A 2 -10.038 11.520 -12.797 1.00 0.00 C ATOM 0 HA VAL A 2 -10.765 9.773 -14.650 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.489 10.310 -11.743 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.217 9.451 -11.234 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.228 8.185 -11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.996 9.021 -12.946 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.523 11.833 -11.889 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.312 11.392 -13.600 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.765 12.280 -13.083 1.00 0.00 H new ATOM 17 N GLN A 3 -11.274 7.350 -14.059 1.00 0.00 N ATOM 18 CA GLN A 3 -11.741 5.934 -13.948 1.00 0.00 C ATOM 19 C GLN A 3 -10.566 5.100 -13.452 1.00 0.00 C ATOM 20 O GLN A 3 -9.443 5.551 -13.494 1.00 0.00 O ATOM 21 CB GLN A 3 -12.200 5.429 -15.319 1.00 0.00 C ATOM 22 CG GLN A 3 -13.708 5.636 -15.463 1.00 0.00 C ATOM 23 CD GLN A 3 -14.449 4.518 -14.728 1.00 0.00 C ATOM 24 OE1 GLN A 3 -14.757 4.643 -13.558 1.00 0.00 O ATOM 25 NE2 GLN A 3 -14.749 3.421 -15.367 1.00 0.00 N ATOM 0 H GLN A 3 -10.337 7.463 -14.445 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.581 5.859 -13.258 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.672 5.962 -16.110 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.956 4.373 -15.429 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.993 6.606 -15.055 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.986 5.640 -16.517 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.491 3.316 -16.348 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.242 2.669 -14.885 1.00 0.00 H new ATOM 26 N LEU A 4 -10.786 3.910 -12.953 1.00 0.00 N ATOM 27 CA LEU A 4 -9.616 3.137 -12.432 1.00 0.00 C ATOM 28 C LEU A 4 -10.049 1.816 -11.786 1.00 0.00 C ATOM 29 O LEU A 4 -11.211 1.600 -11.515 1.00 0.00 O ATOM 30 CB LEU A 4 -8.901 3.983 -11.375 1.00 0.00 C ATOM 31 CG LEU A 4 -9.866 5.014 -10.758 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.878 4.876 -9.240 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.421 6.427 -11.151 1.00 0.00 C ATOM 0 H LEU A 4 -11.694 3.451 -12.884 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.959 2.909 -13.271 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.503 3.336 -10.593 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.052 4.497 -11.826 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.873 4.834 -11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.563 5.609 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.205 3.872 -8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.874 5.048 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.103 7.158 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.412 6.607 -10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.432 6.523 -12.237 1.00 0.00 H new ATOM 34 N VAL A 5 -9.095 0.939 -11.530 1.00 0.00 N ATOM 35 CA VAL A 5 -9.412 -0.386 -10.889 1.00 0.00 C ATOM 36 C VAL A 5 -8.107 -1.178 -10.637 1.00 0.00 C ATOM 37 O VAL A 5 -7.592 -1.827 -11.524 1.00 0.00 O ATOM 38 CB VAL A 5 -10.336 -1.192 -11.828 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.145 -2.699 -11.621 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.794 -0.839 -11.536 1.00 0.00 C ATOM 0 H VAL A 5 -8.108 1.087 -11.739 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.911 -0.218 -9.935 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.081 -0.938 -12.857 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.806 -3.245 -12.293 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.110 -2.967 -11.833 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.383 -2.958 -10.589 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.446 -1.408 -12.199 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.027 -1.084 -10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.950 0.227 -11.701 1.00 0.00 H new ATOM 41 N GLU A 6 -7.584 -1.148 -9.429 1.00 0.00 N ATOM 42 CA GLU A 6 -6.325 -1.914 -9.120 1.00 0.00 C ATOM 43 C GLU A 6 -6.342 -3.264 -9.857 1.00 0.00 C ATOM 44 O GLU A 6 -7.383 -3.740 -10.266 1.00 0.00 O ATOM 45 CB GLU A 6 -6.247 -2.173 -7.608 1.00 0.00 C ATOM 46 CG GLU A 6 -7.650 -2.421 -7.049 1.00 0.00 C ATOM 47 CD GLU A 6 -8.401 -3.391 -7.961 1.00 0.00 C ATOM 48 OE1 GLU A 6 -7.987 -4.535 -8.044 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.367 -2.970 -8.571 1.00 0.00 O ATOM 0 H GLU A 6 -7.974 -0.627 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.463 -1.332 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.610 -3.035 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.792 -1.319 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.584 -2.831 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.195 -1.480 -6.975 1.00 0.00 H new ATOM 50 N SER A 7 -5.208 -3.893 -10.035 1.00 0.00 N ATOM 51 CA SER A 7 -5.207 -5.204 -10.748 1.00 0.00 C ATOM 52 C SER A 7 -3.796 -5.798 -10.755 1.00 0.00 C ATOM 53 O SER A 7 -2.816 -5.103 -10.578 1.00 0.00 O ATOM 54 CB SER A 7 -5.676 -4.998 -12.188 1.00 0.00 C ATOM 55 OG SER A 7 -6.484 -6.099 -12.582 1.00 0.00 O ATOM 0 H SER A 7 -4.296 -3.561 -9.722 1.00 0.00 H new ATOM 0 HA SER A 7 -5.880 -5.890 -10.234 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.242 -4.070 -12.269 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.817 -4.907 -12.853 1.00 0.00 H new ATOM 0 HG SER A 7 -6.787 -5.968 -13.505 1.00 0.00 H new ATOM 56 N GLY A 8 -3.690 -7.085 -10.959 1.00 0.00 N ATOM 57 CA GLY A 8 -2.348 -7.734 -10.981 1.00 0.00 C ATOM 58 C GLY A 8 -2.472 -9.169 -10.469 1.00 0.00 C ATOM 59 O GLY A 8 -3.132 -9.999 -11.063 1.00 0.00 O ATOM 0 H GLY A 8 -4.477 -7.715 -11.112 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.946 -7.731 -11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.650 -7.173 -10.360 1.00 0.00 H new ATOM 60 N GLY A 9 -1.845 -9.465 -9.366 1.00 0.00 N ATOM 61 CA GLY A 9 -1.931 -10.842 -8.805 1.00 0.00 C ATOM 62 C GLY A 9 -0.687 -11.644 -9.197 1.00 0.00 C ATOM 63 O GLY A 9 -0.706 -12.859 -9.228 1.00 0.00 O ATOM 0 H GLY A 9 -1.276 -8.812 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.018 -10.797 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.827 -11.340 -9.176 1.00 0.00 H new ATOM 64 N GLY A 10 0.395 -10.978 -9.493 1.00 0.00 N ATOM 65 CA GLY A 10 1.638 -11.708 -9.875 1.00 0.00 C ATOM 66 C GLY A 10 2.175 -12.461 -8.653 1.00 0.00 C ATOM 67 O GLY A 10 1.930 -12.079 -7.528 1.00 0.00 O ATOM 0 H GLY A 10 0.473 -9.961 -9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.429 -12.407 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.387 -11.007 -10.244 1.00 0.00 H new ATOM 68 N LEU A 11 2.911 -13.522 -8.855 1.00 0.00 N ATOM 69 CA LEU A 11 3.463 -14.265 -7.683 1.00 0.00 C ATOM 70 C LEU A 11 4.863 -13.728 -7.391 1.00 0.00 C ATOM 71 O LEU A 11 5.415 -12.976 -8.169 1.00 0.00 O ATOM 72 CB LEU A 11 3.545 -15.766 -7.981 1.00 0.00 C ATOM 73 CG LEU A 11 2.305 -16.217 -8.759 1.00 0.00 C ATOM 74 CD1 LEU A 11 2.735 -17.094 -9.937 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.390 -17.024 -7.835 1.00 0.00 C ATOM 0 H LEU A 11 3.152 -13.903 -9.770 1.00 0.00 H new ATOM 0 HA LEU A 11 2.808 -14.123 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.444 -15.981 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.623 -16.326 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 11 1.770 -15.342 -9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.854 -17.416 -10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.390 -16.523 -10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.268 -17.968 -9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.507 -17.346 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.926 -17.899 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.085 -16.403 -6.993 1.00 0.00 H new ATOM 76 N VAL A 12 5.449 -14.092 -6.283 1.00 0.00 N ATOM 77 CA VAL A 12 6.811 -13.569 -5.982 1.00 0.00 C ATOM 78 C VAL A 12 7.540 -14.452 -4.985 1.00 0.00 C ATOM 79 O VAL A 12 7.741 -14.068 -3.851 1.00 0.00 O ATOM 80 CB VAL A 12 6.711 -12.179 -5.369 1.00 0.00 C ATOM 81 CG1 VAL A 12 5.869 -12.252 -4.101 1.00 0.00 C ATOM 82 CG2 VAL A 12 8.114 -11.681 -5.020 1.00 0.00 C ATOM 0 H VAL A 12 5.051 -14.719 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 12 7.360 -13.547 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 12 6.247 -11.494 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.793 -11.259 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.872 -12.616 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.339 -12.932 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.048 -10.686 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.575 -12.363 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.721 -11.639 -5.925 1.00 0.00 H new ATOM 83 N GLN A 13 7.986 -15.601 -5.390 1.00 0.00 N ATOM 84 CA GLN A 13 8.762 -16.449 -4.435 1.00 0.00 C ATOM 85 C GLN A 13 9.867 -15.549 -3.854 1.00 0.00 C ATOM 86 O GLN A 13 9.942 -14.387 -4.199 1.00 0.00 O ATOM 87 CB GLN A 13 9.374 -17.650 -5.172 1.00 0.00 C ATOM 88 CG GLN A 13 8.466 -18.066 -6.332 1.00 0.00 C ATOM 89 CD GLN A 13 8.990 -17.457 -7.634 1.00 0.00 C ATOM 90 OE1 GLN A 13 9.584 -16.397 -7.626 1.00 0.00 O ATOM 91 NE2 GLN A 13 8.792 -18.085 -8.760 1.00 0.00 N ATOM 0 H GLN A 13 7.854 -15.991 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 13 8.125 -16.844 -3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.364 -17.391 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.503 -18.484 -4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.436 -19.153 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.445 -17.732 -6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.293 -18.975 -8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.136 -17.686 -9.634 1.00 0.00 H new ATOM 92 N PRO A 14 10.696 -16.064 -2.993 1.00 0.00 N ATOM 93 CA PRO A 14 11.750 -15.239 -2.395 1.00 0.00 C ATOM 94 C PRO A 14 12.797 -14.889 -3.443 1.00 0.00 C ATOM 95 O PRO A 14 13.556 -15.723 -3.897 1.00 0.00 O ATOM 96 CB PRO A 14 12.303 -16.106 -1.264 1.00 0.00 C ATOM 97 CG PRO A 14 11.916 -17.561 -1.613 1.00 0.00 C ATOM 98 CD PRO A 14 10.702 -17.472 -2.557 1.00 0.00 C ATOM 0 HA PRO A 14 11.398 -14.280 -2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.385 -15.999 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.881 -15.810 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.745 -18.079 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.668 -18.124 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.803 -18.152 -3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.777 -17.736 -2.044 1.00 0.00 H new ATOM 99 N GLY A 15 12.807 -13.653 -3.854 1.00 0.00 N ATOM 100 CA GLY A 15 13.760 -13.215 -4.905 1.00 0.00 C ATOM 101 C GLY A 15 12.996 -13.176 -6.224 1.00 0.00 C ATOM 102 O GLY A 15 13.560 -13.274 -7.295 1.00 0.00 O ATOM 0 H GLY A 15 12.189 -12.922 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.168 -12.232 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.603 -13.903 -4.970 1.00 0.00 H new ATOM 103 N GLY A 16 11.697 -13.050 -6.139 1.00 0.00 N ATOM 104 CA GLY A 16 10.860 -13.021 -7.364 1.00 0.00 C ATOM 105 C GLY A 16 10.507 -11.578 -7.726 1.00 0.00 C ATOM 106 O GLY A 16 11.370 -10.747 -7.929 1.00 0.00 O ATOM 0 H GLY A 16 11.181 -12.966 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.394 -13.491 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.949 -13.597 -7.205 1.00 0.00 H new ATOM 107 N SER A 17 9.240 -11.275 -7.815 1.00 0.00 N ATOM 108 CA SER A 17 8.821 -9.892 -8.170 1.00 0.00 C ATOM 109 C SER A 17 7.333 -9.903 -8.501 1.00 0.00 C ATOM 110 O SER A 17 6.783 -10.919 -8.876 1.00 0.00 O ATOM 111 CB SER A 17 9.617 -9.413 -9.385 1.00 0.00 C ATOM 112 OG SER A 17 8.976 -8.277 -9.951 1.00 0.00 O ATOM 0 H SER A 17 8.475 -11.930 -7.656 1.00 0.00 H new ATOM 0 HA SER A 17 9.009 -9.218 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.635 -9.160 -9.090 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.688 -10.211 -10.125 1.00 0.00 H new ATOM 0 HG SER A 17 9.486 -7.968 -10.729 1.00 0.00 H new ATOM 113 N LEU A 18 6.669 -8.792 -8.367 1.00 0.00 N ATOM 114 CA LEU A 18 5.216 -8.772 -8.676 1.00 0.00 C ATOM 115 C LEU A 18 4.935 -7.816 -9.822 1.00 0.00 C ATOM 116 O LEU A 18 5.609 -6.822 -10.008 1.00 0.00 O ATOM 117 CB LEU A 18 4.416 -8.301 -7.457 1.00 0.00 C ATOM 118 CG LEU A 18 4.372 -9.385 -6.373 1.00 0.00 C ATOM 119 CD1 LEU A 18 4.261 -10.770 -7.014 1.00 0.00 C ATOM 120 CD2 LEU A 18 5.645 -9.307 -5.528 1.00 0.00 C ATOM 0 H LEU A 18 7.065 -7.904 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 18 4.919 -9.785 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.865 -7.395 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.401 -8.045 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 18 3.500 -9.222 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.231 -11.531 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.349 -10.824 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.124 -10.944 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.617 -10.076 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.515 -9.464 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.711 -8.325 -5.059 1.00 0.00 H new ATOM 121 N ARG A 19 3.920 -8.104 -10.575 1.00 0.00 N ATOM 122 CA ARG A 19 3.548 -7.216 -11.696 1.00 0.00 C ATOM 123 C ARG A 19 2.068 -6.872 -11.547 1.00 0.00 C ATOM 124 O ARG A 19 1.203 -7.590 -12.010 1.00 0.00 O ATOM 125 CB ARG A 19 3.783 -7.935 -13.019 1.00 0.00 C ATOM 126 CG ARG A 19 3.319 -7.041 -14.170 1.00 0.00 C ATOM 127 CD ARG A 19 2.223 -7.755 -14.962 1.00 0.00 C ATOM 128 NE ARG A 19 2.798 -8.298 -16.224 1.00 0.00 N ATOM 129 CZ ARG A 19 2.408 -7.824 -17.374 1.00 0.00 C ATOM 130 NH1 ARG A 19 1.136 -7.769 -17.659 1.00 0.00 N ATOM 131 NH2 ARG A 19 3.288 -7.404 -18.240 1.00 0.00 N ATOM 0 H ARG A 19 3.327 -8.926 -10.459 1.00 0.00 H new ATOM 0 HA ARG A 19 4.151 -6.308 -11.683 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.840 -8.175 -13.133 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.239 -8.879 -13.035 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.943 -6.095 -13.781 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.159 -6.806 -14.823 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.796 -8.562 -14.367 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.412 -7.062 -15.187 1.00 0.00 H new ATOM 0 HE ARG A 19 3.497 -9.040 -16.188 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.447 -8.097 -16.982 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.831 -7.398 -18.559 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.283 -7.446 -18.018 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.982 -7.033 -19.140 1.00 0.00 H new ATOM 132 N LEU A 20 1.769 -5.797 -10.879 1.00 0.00 N ATOM 133 CA LEU A 20 0.345 -5.423 -10.667 1.00 0.00 C ATOM 134 C LEU A 20 0.058 -4.096 -11.357 1.00 0.00 C ATOM 135 O LEU A 20 0.641 -3.790 -12.379 1.00 0.00 O ATOM 136 CB LEU A 20 0.081 -5.306 -9.169 1.00 0.00 C ATOM 137 CG LEU A 20 0.879 -6.379 -8.432 1.00 0.00 C ATOM 138 CD1 LEU A 20 2.339 -5.945 -8.304 1.00 0.00 C ATOM 139 CD2 LEU A 20 0.289 -6.576 -7.041 1.00 0.00 C ATOM 0 H LEU A 20 2.451 -5.159 -10.469 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.308 -6.186 -11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.366 -4.316 -8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.983 -5.423 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 20 0.830 -7.313 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.903 -6.715 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.764 -5.800 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.393 -5.010 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.855 -7.341 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.340 -5.638 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.751 -6.890 -7.128 1.00 0.00 H new ATOM 140 N SER A 21 -0.843 -3.304 -10.837 1.00 0.00 N ATOM 141 CA SER A 21 -1.137 -2.029 -11.532 1.00 0.00 C ATOM 142 C SER A 21 -2.355 -1.297 -10.948 1.00 0.00 C ATOM 143 O SER A 21 -2.896 -1.659 -9.922 1.00 0.00 O ATOM 144 CB SER A 21 -1.434 -2.373 -12.976 1.00 0.00 C ATOM 145 OG SER A 21 -2.078 -3.639 -13.037 1.00 0.00 O ATOM 0 H SER A 21 -1.373 -3.482 -9.984 1.00 0.00 H new ATOM 0 HA SER A 21 -0.279 -1.366 -11.418 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.070 -1.607 -13.420 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.510 -2.394 -13.554 1.00 0.00 H new ATOM 0 HG SER A 21 -2.272 -3.863 -13.971 1.00 0.00 H new ATOM 146 N CYS A 22 -2.778 -0.261 -11.637 1.00 0.00 N ATOM 147 CA CYS A 22 -3.963 0.551 -11.205 1.00 0.00 C ATOM 148 C CYS A 22 -4.782 0.912 -12.443 1.00 0.00 C ATOM 149 O CYS A 22 -4.418 1.808 -13.177 1.00 0.00 O ATOM 150 CB CYS A 22 -3.494 1.861 -10.579 1.00 0.00 C ATOM 151 SG CYS A 22 -3.186 1.627 -8.822 1.00 0.00 S ATOM 0 H CYS A 22 -2.341 0.062 -12.500 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.548 -0.026 -10.488 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.586 2.205 -11.073 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.249 2.634 -10.725 1.00 0.00 H new ATOM 152 N ALA A 23 -5.882 0.252 -12.692 1.00 0.00 N ATOM 153 CA ALA A 23 -6.682 0.625 -13.895 1.00 0.00 C ATOM 154 C ALA A 23 -6.832 2.141 -13.895 1.00 0.00 C ATOM 155 O ALA A 23 -6.727 2.774 -12.866 1.00 0.00 O ATOM 156 CB ALA A 23 -8.065 -0.019 -13.859 1.00 0.00 C ATOM 0 H ALA A 23 -6.255 -0.512 -12.129 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.174 0.275 -14.794 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.625 0.271 -14.748 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.961 -1.104 -13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.599 0.315 -12.969 1.00 0.00 H new ATOM 157 N ALA A 24 -7.076 2.727 -15.027 1.00 0.00 N ATOM 158 CA ALA A 24 -7.213 4.206 -15.070 1.00 0.00 C ATOM 159 C ALA A 24 -7.580 4.660 -16.485 1.00 0.00 C ATOM 160 O ALA A 24 -6.927 4.319 -17.469 1.00 0.00 O ATOM 161 CB ALA A 24 -5.898 4.853 -14.637 1.00 0.00 C ATOM 0 H ALA A 24 -7.186 2.250 -15.922 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.007 4.513 -14.389 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.999 5.938 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.656 4.540 -13.621 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.100 4.543 -15.312 1.00 0.00 H new ATOM 162 N SER A 25 -8.637 5.422 -16.581 1.00 0.00 N ATOM 163 CA SER A 25 -9.106 5.915 -17.901 1.00 0.00 C ATOM 164 C SER A 25 -9.634 7.347 -17.758 1.00 0.00 C ATOM 165 O SER A 25 -9.769 7.863 -16.665 1.00 0.00 O ATOM 166 CB SER A 25 -10.242 5.014 -18.374 1.00 0.00 C ATOM 167 OG SER A 25 -10.489 5.248 -19.754 1.00 0.00 O ATOM 0 H SER A 25 -9.201 5.726 -15.787 1.00 0.00 H new ATOM 0 HA SER A 25 -8.283 5.903 -18.616 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.982 3.968 -18.212 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.143 5.212 -17.794 1.00 0.00 H new ATOM 0 HG SER A 25 -11.218 4.668 -20.059 1.00 0.00 H new ATOM 168 N GLY A 26 -9.946 7.985 -18.855 1.00 0.00 N ATOM 169 CA GLY A 26 -10.478 9.378 -18.793 1.00 0.00 C ATOM 170 C GLY A 26 -9.709 10.186 -17.746 1.00 0.00 C ATOM 171 O GLY A 26 -10.259 11.043 -17.083 1.00 0.00 O ATOM 0 H GLY A 26 -9.855 7.600 -19.795 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.388 9.854 -19.769 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.539 9.360 -18.543 1.00 0.00 H new ATOM 172 N PHE A 27 -8.440 9.922 -17.591 1.00 0.00 N ATOM 173 CA PHE A 27 -7.643 10.680 -16.585 1.00 0.00 C ATOM 174 C PHE A 27 -6.159 10.309 -16.710 1.00 0.00 C ATOM 175 O PHE A 27 -5.297 11.097 -16.392 1.00 0.00 O ATOM 176 CB PHE A 27 -8.188 10.365 -15.166 1.00 0.00 C ATOM 177 CG PHE A 27 -7.168 9.634 -14.303 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.944 10.239 -13.985 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.455 8.350 -13.818 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.011 9.568 -13.200 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.519 7.678 -13.025 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.295 8.284 -12.714 1.00 0.00 C ATOM 0 H PHE A 27 -7.922 9.217 -18.115 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.734 11.752 -16.762 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.476 11.295 -14.675 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.089 9.758 -15.252 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.724 11.231 -14.351 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.398 7.880 -14.057 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.067 10.037 -12.965 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.741 6.689 -12.651 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.573 7.764 -12.102 1.00 0.00 H new ATOM 183 N THR A 28 -5.866 9.107 -17.132 1.00 0.00 N ATOM 184 CA THR A 28 -4.447 8.656 -17.241 1.00 0.00 C ATOM 185 C THR A 28 -3.949 8.308 -15.835 1.00 0.00 C ATOM 186 O THR A 28 -4.632 7.632 -15.094 1.00 0.00 O ATOM 187 CB THR A 28 -3.564 9.730 -17.900 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.180 10.711 -16.947 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.337 10.400 -19.035 1.00 0.00 C ATOM 0 H THR A 28 -6.558 8.410 -17.409 1.00 0.00 H new ATOM 0 HA THR A 28 -4.388 7.776 -17.882 1.00 0.00 H new ATOM 0 HB THR A 28 -2.667 9.252 -18.295 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.931 10.893 -16.345 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.711 11.161 -19.502 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.614 9.652 -19.778 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.238 10.866 -18.636 1.00 0.00 H new ATOM 190 N PHE A 29 -2.768 8.716 -15.456 1.00 0.00 N ATOM 191 CA PHE A 29 -2.268 8.344 -14.096 1.00 0.00 C ATOM 192 C PHE A 29 -1.267 9.388 -13.622 1.00 0.00 C ATOM 193 O PHE A 29 -1.322 9.869 -12.508 1.00 0.00 O ATOM 194 CB PHE A 29 -1.574 6.993 -14.179 1.00 0.00 C ATOM 195 CG PHE A 29 -2.110 6.283 -15.379 1.00 0.00 C ATOM 196 CD1 PHE A 29 -1.652 6.626 -16.662 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.110 5.327 -15.221 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.202 6.002 -17.771 1.00 0.00 C ATOM 199 CE2 PHE A 29 -3.645 4.716 -16.332 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.192 5.054 -17.602 1.00 0.00 C ATOM 0 H PHE A 29 -2.133 9.283 -16.018 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.103 8.294 -13.397 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.495 7.121 -14.260 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.759 6.411 -13.276 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.878 7.369 -16.783 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.463 5.067 -14.234 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.858 6.256 -18.763 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.419 3.972 -16.217 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.620 4.569 -18.467 1.00 0.00 H new ATOM 201 N SER A 30 -0.357 9.742 -14.480 1.00 0.00 N ATOM 202 CA SER A 30 0.661 10.761 -14.122 1.00 0.00 C ATOM 203 C SER A 30 0.077 12.131 -14.421 1.00 0.00 C ATOM 204 O SER A 30 0.382 13.108 -13.767 1.00 0.00 O ATOM 205 CB SER A 30 1.923 10.543 -14.957 1.00 0.00 C ATOM 206 OG SER A 30 3.065 10.845 -14.167 1.00 0.00 O ATOM 0 H SER A 30 -0.274 9.365 -15.424 1.00 0.00 H new ATOM 0 HA SER A 30 0.924 10.683 -13.067 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.969 9.511 -15.305 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.901 11.177 -15.843 1.00 0.00 H new ATOM 0 HG SER A 30 3.877 10.705 -14.698 1.00 0.00 H new ATOM 207 N SER A 31 -0.783 12.207 -15.399 1.00 0.00 N ATOM 208 CA SER A 31 -1.405 13.517 -15.721 1.00 0.00 C ATOM 209 C SER A 31 -2.011 14.070 -14.433 1.00 0.00 C ATOM 210 O SER A 31 -1.838 15.225 -14.097 1.00 0.00 O ATOM 211 CB SER A 31 -2.499 13.333 -16.771 1.00 0.00 C ATOM 212 OG SER A 31 -3.007 14.605 -17.150 1.00 0.00 O ATOM 0 H SER A 31 -1.078 11.425 -15.983 1.00 0.00 H new ATOM 0 HA SER A 31 -0.660 14.204 -16.121 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.099 12.814 -17.642 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.301 12.713 -16.372 1.00 0.00 H new ATOM 0 HG SER A 31 -3.823 14.796 -16.642 1.00 0.00 H new ATOM 213 N TYR A 32 -2.707 13.242 -13.698 1.00 0.00 N ATOM 214 CA TYR A 32 -3.310 13.710 -12.419 1.00 0.00 C ATOM 215 C TYR A 32 -2.666 12.945 -11.261 1.00 0.00 C ATOM 216 O TYR A 32 -3.228 12.823 -10.191 1.00 0.00 O ATOM 217 CB TYR A 32 -4.819 13.457 -12.440 1.00 0.00 C ATOM 218 CG TYR A 32 -5.381 13.962 -13.747 1.00 0.00 C ATOM 219 CD1 TYR A 32 -5.064 13.299 -14.937 1.00 0.00 C ATOM 220 CD2 TYR A 32 -6.208 15.091 -13.772 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.576 13.762 -16.154 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.721 15.554 -14.991 1.00 0.00 C ATOM 223 CZ TYR A 32 -6.404 14.889 -16.181 1.00 0.00 C ATOM 224 OH TYR A 32 -6.910 15.344 -17.383 1.00 0.00 O ATOM 0 H TYR A 32 -2.883 12.264 -13.929 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.135 14.778 -12.293 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.024 12.392 -12.328 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.298 13.964 -11.603 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.424 12.429 -14.916 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.450 15.604 -12.853 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.332 13.249 -17.073 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.361 16.424 -15.012 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.467 16.135 -17.225 1.00 0.00 H new ATOM 225 N ALA A 33 -1.481 12.433 -11.474 1.00 0.00 N ATOM 226 CA ALA A 33 -0.780 11.675 -10.397 1.00 0.00 C ATOM 227 C ALA A 33 -1.681 10.551 -9.886 1.00 0.00 C ATOM 228 O ALA A 33 -2.864 10.519 -10.163 1.00 0.00 O ATOM 229 CB ALA A 33 -0.438 12.620 -9.244 1.00 0.00 C ATOM 0 H ALA A 33 -0.967 12.508 -12.352 1.00 0.00 H new ATOM 0 HA ALA A 33 0.138 11.246 -10.799 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.074 12.065 -8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.211 13.417 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.355 13.053 -8.844 1.00 0.00 H new ATOM 230 N MET A 34 -1.136 9.630 -9.135 1.00 0.00 N ATOM 231 CA MET A 34 -1.969 8.520 -8.607 1.00 0.00 C ATOM 232 C MET A 34 -1.115 7.644 -7.699 1.00 0.00 C ATOM 233 O MET A 34 -0.038 7.213 -8.060 1.00 0.00 O ATOM 234 CB MET A 34 -2.519 7.676 -9.760 1.00 0.00 C ATOM 235 CG MET A 34 -3.342 6.516 -9.187 1.00 0.00 C ATOM 236 SD MET A 34 -3.201 5.064 -10.262 1.00 0.00 S ATOM 237 CE MET A 34 -1.401 4.893 -10.192 1.00 0.00 C ATOM 0 H MET A 34 -0.152 9.602 -8.867 1.00 0.00 H new ATOM 0 HA MET A 34 -2.805 8.935 -8.045 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.139 8.290 -10.413 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.700 7.291 -10.368 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.992 6.271 -8.184 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.387 6.811 -9.096 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.129 3.848 -10.341 1.00 0.00 H new ATOM 0 HE2 MET A 34 -0.947 5.502 -10.974 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.041 5.226 -9.218 1.00 0.00 H new ATOM 238 N SER A 35 -1.598 7.370 -6.526 1.00 0.00 N ATOM 239 CA SER A 35 -0.837 6.513 -5.584 1.00 0.00 C ATOM 240 C SER A 35 -1.568 5.210 -5.461 1.00 0.00 C ATOM 241 O SER A 35 -2.701 5.111 -5.887 1.00 0.00 O ATOM 242 CB SER A 35 -0.795 7.165 -4.218 1.00 0.00 C ATOM 243 OG SER A 35 -0.825 6.164 -3.209 1.00 0.00 O ATOM 0 H SER A 35 -2.495 7.706 -6.176 1.00 0.00 H new ATOM 0 HA SER A 35 0.180 6.368 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.108 7.768 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.643 7.840 -4.100 1.00 0.00 H new ATOM 0 HG SER A 35 -0.796 6.588 -2.326 1.00 0.00 H new ATOM 244 N TRP A 36 -0.985 4.187 -4.902 1.00 0.00 N ATOM 245 CA TRP A 36 -1.794 2.964 -4.849 1.00 0.00 C ATOM 246 C TRP A 36 -1.160 1.796 -4.079 1.00 0.00 C ATOM 247 O TRP A 36 0.054 1.722 -3.842 1.00 0.00 O ATOM 248 CB TRP A 36 -2.101 2.596 -6.291 1.00 0.00 C ATOM 249 CG TRP A 36 -1.090 1.702 -6.861 1.00 0.00 C ATOM 250 CD1 TRP A 36 0.097 2.079 -7.377 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.209 0.277 -7.043 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.712 0.963 -7.885 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.054 -0.188 -7.690 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.212 -0.653 -6.698 1.00 0.00 C ATOM 255 CZ2 TRP A 36 0.097 -1.544 -7.995 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.055 -2.005 -6.990 1.00 0.00 C ATOM 257 CH2 TRP A 36 -0.907 -2.452 -7.639 1.00 0.00 C ATOM 0 H TRP A 36 -0.046 4.149 -4.506 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.699 3.165 -4.275 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.078 2.116 -6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.161 3.504 -6.891 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.494 3.083 -7.388 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.620 0.973 -8.350 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.110 -0.313 -6.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.985 -1.890 -8.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.826 -2.709 -6.712 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.791 -3.501 -7.868 1.00 0.00 H new ATOM 258 N VAL A 37 -2.056 0.901 -3.691 1.00 0.00 N ATOM 259 CA VAL A 37 -1.745 -0.332 -2.912 1.00 0.00 C ATOM 260 C VAL A 37 -2.266 -0.137 -1.470 1.00 0.00 C ATOM 261 O VAL A 37 -2.960 0.814 -1.234 1.00 0.00 O ATOM 262 CB VAL A 37 -0.244 -0.639 -2.945 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.001 -1.980 -2.288 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.233 -0.713 -4.388 1.00 0.00 C ATOM 0 H VAL A 37 -3.049 0.996 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.242 -1.194 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 37 0.297 0.147 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.065 -2.207 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.347 -1.947 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.546 -2.754 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.301 -0.931 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.308 -1.502 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.049 0.241 -4.881 1.00 0.00 H new ATOM 265 N ARG A 38 -1.959 -1.035 -0.534 1.00 0.00 N ATOM 266 CA ARG A 38 -2.408 -0.927 0.895 1.00 0.00 C ATOM 267 C ARG A 38 -3.393 -2.028 1.308 1.00 0.00 C ATOM 268 O ARG A 38 -4.579 -1.795 1.435 1.00 0.00 O ATOM 269 CB ARG A 38 -3.014 0.441 1.253 1.00 0.00 C ATOM 270 CG ARG A 38 -1.883 1.432 1.553 1.00 0.00 C ATOM 271 CD ARG A 38 -1.590 2.290 0.323 1.00 0.00 C ATOM 272 NE ARG A 38 -0.857 3.517 0.743 1.00 0.00 N ATOM 273 CZ ARG A 38 -1.499 4.643 0.895 1.00 0.00 C ATOM 274 NH1 ARG A 38 -2.208 5.127 -0.086 1.00 0.00 N ATOM 275 NH2 ARG A 38 -1.428 5.284 2.029 1.00 0.00 N ATOM 0 H ARG A 38 -1.395 -1.863 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.484 -1.052 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.626 0.808 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.669 0.346 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.162 2.070 2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.985 0.890 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.996 1.725 -0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.520 2.561 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 38 0.148 3.477 0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.261 4.626 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.710 6.007 0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.871 4.905 2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.929 6.164 2.150 1.00 0.00 H new ATOM 276 N GLN A 39 -2.891 -3.205 1.607 1.00 0.00 N ATOM 277 CA GLN A 39 -3.762 -4.301 2.116 1.00 0.00 C ATOM 278 C GLN A 39 -2.963 -5.607 2.118 1.00 0.00 C ATOM 279 O GLN A 39 -1.904 -5.683 1.529 1.00 0.00 O ATOM 280 CB GLN A 39 -5.011 -4.424 1.257 1.00 0.00 C ATOM 281 CG GLN A 39 -6.246 -4.295 2.155 1.00 0.00 C ATOM 282 CD GLN A 39 -6.795 -5.684 2.487 1.00 0.00 C ATOM 283 OE1 GLN A 39 -7.351 -6.349 1.637 1.00 0.00 O ATOM 284 NE2 GLN A 39 -6.666 -6.150 3.699 1.00 0.00 N ATOM 0 H GLN A 39 -1.905 -3.450 1.517 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.083 -4.078 3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.019 -3.649 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.020 -5.383 0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.986 -3.768 3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.011 -3.702 1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.199 -5.591 4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.032 -7.073 3.932 1.00 0.00 H new ATOM 285 N ALA A 40 -3.437 -6.622 2.799 1.00 0.00 N ATOM 286 CA ALA A 40 -2.686 -7.903 2.846 1.00 0.00 C ATOM 287 C ALA A 40 -3.347 -8.853 3.852 1.00 0.00 C ATOM 288 O ALA A 40 -4.229 -8.459 4.590 1.00 0.00 O ATOM 289 CB ALA A 40 -1.253 -7.616 3.292 1.00 0.00 C ATOM 0 H ALA A 40 -4.312 -6.613 3.323 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.687 -8.367 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.690 -8.549 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.780 -6.936 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.265 -7.158 4.281 1.00 0.00 H new ATOM 290 N PRO A 41 -2.874 -10.073 3.865 1.00 0.00 N ATOM 291 CA PRO A 41 -3.369 -11.113 4.791 1.00 0.00 C ATOM 292 C PRO A 41 -2.879 -10.753 6.201 1.00 0.00 C ATOM 293 O PRO A 41 -2.880 -9.595 6.570 1.00 0.00 O ATOM 294 CB PRO A 41 -2.726 -12.404 4.240 1.00 0.00 C ATOM 295 CG PRO A 41 -1.503 -11.962 3.411 1.00 0.00 C ATOM 296 CD PRO A 41 -1.790 -10.524 2.965 1.00 0.00 C ATOM 0 HA PRO A 41 -4.452 -11.216 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.426 -13.066 5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.434 -12.958 3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.591 -12.011 4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.358 -12.615 2.551 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.906 -9.894 3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.098 -10.485 1.920 1.00 0.00 H new ATOM 297 N GLY A 42 -2.420 -11.694 6.987 1.00 0.00 N ATOM 298 CA GLY A 42 -1.901 -11.320 8.333 1.00 0.00 C ATOM 299 C GLY A 42 -0.773 -10.303 8.142 1.00 0.00 C ATOM 300 O GLY A 42 -0.329 -9.665 9.075 1.00 0.00 O ATOM 0 H GLY A 42 -2.383 -12.687 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.698 -10.895 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.534 -12.202 8.858 1.00 0.00 H new ATOM 301 N LYS A 43 -0.315 -10.149 6.925 1.00 0.00 N ATOM 302 CA LYS A 43 0.772 -9.184 6.627 1.00 0.00 C ATOM 303 C LYS A 43 0.312 -7.749 6.863 1.00 0.00 C ATOM 304 O LYS A 43 1.052 -6.813 6.642 1.00 0.00 O ATOM 305 CB LYS A 43 1.162 -9.336 5.155 1.00 0.00 C ATOM 306 CG LYS A 43 2.468 -8.585 4.880 1.00 0.00 C ATOM 307 CD LYS A 43 3.493 -8.918 5.966 1.00 0.00 C ATOM 308 CE LYS A 43 4.904 -8.704 5.419 1.00 0.00 C ATOM 309 NZ LYS A 43 5.873 -9.513 6.211 1.00 0.00 N ATOM 0 H LYS A 43 -0.659 -10.664 6.115 1.00 0.00 H new ATOM 0 HA LYS A 43 1.617 -9.391 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.281 -10.391 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.368 -8.947 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.859 -8.862 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.283 -7.511 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.331 -8.287 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.371 -9.951 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.946 -8.993 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.169 -7.648 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.714 -8.938 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.427 -9.816 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.155 -10.351 5.663 1.00 0.00 H new ATOM 310 N GLU A 44 -0.893 -7.557 7.297 1.00 0.00 N ATOM 311 CA GLU A 44 -1.363 -6.169 7.522 1.00 0.00 C ATOM 312 C GLU A 44 -1.320 -5.441 6.183 1.00 0.00 C ATOM 313 O GLU A 44 -0.811 -5.965 5.213 1.00 0.00 O ATOM 314 CB GLU A 44 -0.419 -5.498 8.514 1.00 0.00 C ATOM 315 CG GLU A 44 -1.153 -5.231 9.826 1.00 0.00 C ATOM 316 CD GLU A 44 -0.673 -3.905 10.421 1.00 0.00 C ATOM 317 OE1 GLU A 44 0.530 -3.735 10.542 1.00 0.00 O ATOM 318 OE2 GLU A 44 -1.514 -3.085 10.745 1.00 0.00 O ATOM 0 H GLU A 44 -1.569 -8.292 7.505 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.377 -6.149 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.447 -6.135 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.045 -4.562 8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.228 -5.195 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.970 -6.044 10.529 1.00 0.00 H new ATOM 319 N ARG A 45 -1.842 -4.251 6.099 1.00 0.00 N ATOM 320 CA ARG A 45 -1.797 -3.548 4.788 1.00 0.00 C ATOM 321 C ARG A 45 -0.374 -3.538 4.277 1.00 0.00 C ATOM 322 O ARG A 45 0.522 -4.108 4.867 1.00 0.00 O ATOM 323 CB ARG A 45 -2.227 -2.098 4.915 1.00 0.00 C ATOM 324 CG ARG A 45 -3.669 -1.950 4.453 1.00 0.00 C ATOM 325 CD ARG A 45 -4.290 -0.715 5.100 1.00 0.00 C ATOM 326 NE ARG A 45 -5.184 -1.136 6.217 1.00 0.00 N ATOM 327 CZ ARG A 45 -5.128 -0.517 7.365 1.00 0.00 C ATOM 328 NH1 ARG A 45 -3.974 -0.167 7.865 1.00 0.00 N ATOM 329 NH2 ARG A 45 -6.227 -0.249 8.016 1.00 0.00 N ATOM 0 H ARG A 45 -2.289 -3.743 6.863 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.472 -4.075 4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.131 -1.769 5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.576 -1.461 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.706 -1.862 3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.240 -2.839 4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.508 -0.055 5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.856 -0.149 4.360 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.839 -1.907 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.114 -0.377 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.932 0.317 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.129 -0.523 7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.183 0.235 8.913 1.00 0.00 H new ATOM 330 N GLU A 46 -0.161 -2.865 3.189 1.00 0.00 N ATOM 331 CA GLU A 46 1.196 -2.782 2.621 1.00 0.00 C ATOM 332 C GLU A 46 1.110 -2.060 1.290 1.00 0.00 C ATOM 333 O GLU A 46 0.608 -2.601 0.328 1.00 0.00 O ATOM 334 CB GLU A 46 1.739 -4.192 2.396 1.00 0.00 C ATOM 335 CG GLU A 46 3.269 -4.167 2.418 1.00 0.00 C ATOM 336 CD GLU A 46 3.762 -4.298 3.860 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.689 -3.317 4.581 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.203 -5.377 4.219 1.00 0.00 O ATOM 0 H GLU A 46 -0.880 -2.365 2.666 1.00 0.00 H new ATOM 0 HA GLU A 46 1.858 -2.246 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.366 -4.863 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.386 -4.579 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.665 -4.982 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.634 -3.238 1.981 1.00 0.00 H new ATOM 339 N ILE A 47 1.596 -0.852 1.218 1.00 0.00 N ATOM 340 CA ILE A 47 1.551 -0.122 -0.074 1.00 0.00 C ATOM 341 C ILE A 47 2.612 -0.734 -0.966 1.00 0.00 C ATOM 342 O ILE A 47 3.371 -1.586 -0.551 1.00 0.00 O ATOM 343 CB ILE A 47 1.887 1.371 0.137 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.410 2.196 -1.083 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.402 1.536 0.314 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.592 2.611 -1.995 1.00 0.00 C ATOM 0 H ILE A 47 2.019 -0.343 1.994 1.00 0.00 H new ATOM 0 HA ILE A 47 0.556 -0.196 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 47 1.377 1.731 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.694 1.611 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.888 3.088 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.638 2.590 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.731 0.964 1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.914 1.172 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.215 3.188 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.295 3.219 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.099 1.719 -2.363 1.00 0.00 H new ATOM 347 N VAL A 48 2.709 -0.279 -2.161 1.00 0.00 N ATOM 348 CA VAL A 48 3.770 -0.795 -3.035 1.00 0.00 C ATOM 349 C VAL A 48 4.344 0.368 -3.820 1.00 0.00 C ATOM 350 O VAL A 48 5.526 0.417 -4.079 1.00 0.00 O ATOM 351 CB VAL A 48 3.253 -1.870 -3.974 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.429 -2.361 -4.812 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.701 -3.035 -3.149 1.00 0.00 C ATOM 0 H VAL A 48 2.101 0.428 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 48 4.544 -1.259 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 48 2.463 -1.476 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.088 -3.136 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.843 -1.529 -5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.198 -2.770 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.328 -3.810 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.494 -3.446 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.887 -2.680 -2.517 1.00 0.00 H new ATOM 354 N SER A 49 3.551 1.340 -4.185 1.00 0.00 N ATOM 355 CA SER A 49 4.168 2.467 -4.919 1.00 0.00 C ATOM 356 C SER A 49 3.143 3.522 -5.293 1.00 0.00 C ATOM 357 O SER A 49 1.953 3.270 -5.364 1.00 0.00 O ATOM 358 CB SER A 49 4.856 1.941 -6.175 1.00 0.00 C ATOM 359 OG SER A 49 6.259 2.129 -6.054 1.00 0.00 O ATOM 0 H SER A 49 2.547 1.399 -4.014 1.00 0.00 H new ATOM 0 HA SER A 49 4.901 2.937 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.629 0.884 -6.312 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.482 2.464 -7.055 1.00 0.00 H new ATOM 0 HG SER A 49 6.440 3.027 -5.705 1.00 0.00 H new ATOM 360 N ALA A 50 3.605 4.719 -5.516 1.00 0.00 N ATOM 361 CA ALA A 50 2.665 5.813 -5.871 1.00 0.00 C ATOM 362 C ALA A 50 3.431 6.992 -6.498 1.00 0.00 C ATOM 363 O ALA A 50 4.641 7.061 -6.423 1.00 0.00 O ATOM 364 CB ALA A 50 1.963 6.253 -4.592 1.00 0.00 C ATOM 0 H ALA A 50 4.588 4.985 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 50 1.935 5.466 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.264 7.058 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.420 5.409 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.703 6.607 -3.874 1.00 0.00 H new ATOM 365 N VAL A 51 2.735 7.921 -7.119 1.00 0.00 N ATOM 366 CA VAL A 51 3.419 9.087 -7.747 1.00 0.00 C ATOM 367 C VAL A 51 2.539 10.321 -7.568 1.00 0.00 C ATOM 368 O VAL A 51 1.643 10.575 -8.344 1.00 0.00 O ATOM 369 CB VAL A 51 3.624 8.838 -9.244 1.00 0.00 C ATOM 370 CG1 VAL A 51 4.498 7.601 -9.453 1.00 0.00 C ATOM 371 CG2 VAL A 51 2.263 8.623 -9.914 1.00 0.00 C ATOM 0 H VAL A 51 1.719 7.916 -7.214 1.00 0.00 H new ATOM 0 HA VAL A 51 4.390 9.234 -7.274 1.00 0.00 H new ATOM 0 HB VAL A 51 4.119 9.702 -9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.639 7.431 -10.520 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.467 7.756 -8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.012 6.733 -9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.406 8.446 -10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.769 7.761 -9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.644 9.509 -9.774 1.00 0.00 H new ATOM 372 N SER A 52 2.772 11.076 -6.540 1.00 0.00 N ATOM 373 CA SER A 52 1.931 12.283 -6.302 1.00 0.00 C ATOM 374 C SER A 52 2.721 13.559 -6.593 1.00 0.00 C ATOM 375 O SER A 52 3.910 13.528 -6.830 1.00 0.00 O ATOM 376 CB SER A 52 1.472 12.291 -4.847 1.00 0.00 C ATOM 377 OG SER A 52 2.288 13.182 -4.098 1.00 0.00 O ATOM 0 H SER A 52 3.507 10.914 -5.851 1.00 0.00 H new ATOM 0 HA SER A 52 1.069 12.250 -6.969 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.428 12.598 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.534 11.286 -4.429 1.00 0.00 H new ATOM 0 HG SER A 52 1.993 13.189 -3.164 1.00 0.00 H new ATOM 378 N GLY A 53 2.056 14.686 -6.573 1.00 0.00 N ATOM 379 CA GLY A 53 2.752 15.977 -6.843 1.00 0.00 C ATOM 380 C GLY A 53 3.363 15.944 -8.242 1.00 0.00 C ATOM 381 O GLY A 53 4.565 15.887 -8.401 1.00 0.00 O ATOM 0 H GLY A 53 1.058 14.766 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.048 16.806 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.530 16.145 -6.099 1.00 0.00 H new ATOM 382 N SER A 54 2.545 15.970 -9.259 1.00 0.00 N ATOM 383 CA SER A 54 3.088 15.927 -10.645 1.00 0.00 C ATOM 384 C SER A 54 3.908 14.646 -10.805 1.00 0.00 C ATOM 385 O SER A 54 4.710 14.516 -11.708 1.00 0.00 O ATOM 386 CB SER A 54 3.982 17.143 -10.891 1.00 0.00 C ATOM 387 OG SER A 54 4.057 17.395 -12.287 1.00 0.00 O ATOM 0 H SER A 54 1.529 16.019 -9.190 1.00 0.00 H new ATOM 0 HA SER A 54 2.270 15.942 -11.365 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.581 18.014 -10.373 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.979 16.964 -10.488 1.00 0.00 H new ATOM 0 HG SER A 54 4.292 16.568 -12.757 1.00 0.00 H new ATOM 388 N GLY A 55 3.709 13.703 -9.926 1.00 0.00 N ATOM 389 CA GLY A 55 4.469 12.426 -10.005 1.00 0.00 C ATOM 390 C GLY A 55 5.747 12.539 -9.174 1.00 0.00 C ATOM 391 O GLY A 55 6.271 11.550 -8.702 1.00 0.00 O ATOM 0 H GLY A 55 3.048 13.764 -9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.856 11.603 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.716 12.202 -11.043 1.00 0.00 H new ATOM 392 N GLY A 56 6.245 13.736 -8.978 1.00 0.00 N ATOM 393 CA GLY A 56 7.481 13.903 -8.156 1.00 0.00 C ATOM 394 C GLY A 56 7.374 12.989 -6.939 1.00 0.00 C ATOM 395 O GLY A 56 8.114 12.037 -6.798 1.00 0.00 O ATOM 0 H GLY A 56 5.850 14.600 -9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.364 13.652 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.591 14.941 -7.843 1.00 0.00 H new ATOM 396 N SER A 57 6.432 13.251 -6.073 1.00 0.00 N ATOM 397 CA SER A 57 6.255 12.368 -4.889 1.00 0.00 C ATOM 398 C SER A 57 6.283 10.920 -5.379 1.00 0.00 C ATOM 399 O SER A 57 5.787 10.616 -6.446 1.00 0.00 O ATOM 400 CB SER A 57 4.909 12.663 -4.230 1.00 0.00 C ATOM 401 OG SER A 57 5.048 12.579 -2.817 1.00 0.00 O ATOM 0 H SER A 57 5.782 14.034 -6.135 1.00 0.00 H new ATOM 0 HA SER A 57 7.047 12.539 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.562 13.656 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.158 11.952 -4.576 1.00 0.00 H new ATOM 0 HG SER A 57 4.237 12.922 -2.388 1.00 0.00 H new ATOM 402 N THR A 58 6.854 10.025 -4.623 1.00 0.00 N ATOM 403 CA THR A 58 6.911 8.609 -5.074 1.00 0.00 C ATOM 404 C THR A 58 6.775 7.698 -3.866 1.00 0.00 C ATOM 405 O THR A 58 7.131 8.056 -2.761 1.00 0.00 O ATOM 406 CB THR A 58 8.255 8.339 -5.758 1.00 0.00 C ATOM 407 OG1 THR A 58 9.312 8.689 -4.876 1.00 0.00 O ATOM 408 CG2 THR A 58 8.361 9.165 -7.039 1.00 0.00 C ATOM 0 H THR A 58 7.282 10.212 -3.716 1.00 0.00 H new ATOM 0 HA THR A 58 6.101 8.419 -5.778 1.00 0.00 H new ATOM 0 HB THR A 58 8.325 7.281 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.173 8.515 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.319 8.968 -7.520 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.552 8.892 -7.716 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.288 10.225 -6.796 1.00 0.00 H new ATOM 409 N TYR A 59 6.263 6.523 -4.063 1.00 0.00 N ATOM 410 CA TYR A 59 6.106 5.599 -2.920 1.00 0.00 C ATOM 411 C TYR A 59 6.593 4.212 -3.307 1.00 0.00 C ATOM 412 O TYR A 59 6.634 3.859 -4.471 1.00 0.00 O ATOM 413 CB TYR A 59 4.655 5.564 -2.511 1.00 0.00 C ATOM 414 CG TYR A 59 4.574 5.907 -1.058 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.613 7.246 -0.654 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.472 4.888 -0.116 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.542 7.561 0.710 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.404 5.194 1.243 1.00 0.00 C ATOM 419 CZ TYR A 59 4.437 6.533 1.660 1.00 0.00 C ATOM 420 OH TYR A 59 4.368 6.840 3.004 1.00 0.00 O ATOM 0 H TYR A 59 5.947 6.164 -4.964 1.00 0.00 H new ATOM 0 HA TYR A 59 6.703 5.945 -2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.076 6.273 -3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.232 4.576 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.697 8.033 -1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.445 3.857 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.568 8.592 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.326 4.402 1.973 1.00 0.00 H new ATOM 0 HH TYR A 59 4.297 6.013 3.525 1.00 0.00 H new ATOM 421 N TYR A 60 7.024 3.456 -2.327 1.00 0.00 N ATOM 422 CA TYR A 60 7.592 2.100 -2.585 1.00 0.00 C ATOM 423 C TYR A 60 7.291 1.166 -1.411 1.00 0.00 C ATOM 424 O TYR A 60 8.186 0.788 -0.681 1.00 0.00 O ATOM 425 CB TYR A 60 9.113 2.218 -2.671 1.00 0.00 C ATOM 426 CG TYR A 60 9.520 3.078 -3.835 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.245 4.444 -3.819 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.191 2.507 -4.918 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.634 5.249 -4.893 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.587 3.307 -5.992 1.00 0.00 C ATOM 431 CZ TYR A 60 10.307 4.681 -5.982 1.00 0.00 C ATOM 432 OH TYR A 60 10.698 5.473 -7.043 1.00 0.00 O ATOM 0 H TYR A 60 7.005 3.728 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 60 7.157 1.709 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.501 2.644 -1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.553 1.226 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.731 4.881 -2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.404 1.448 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.416 6.307 -4.883 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.108 2.868 -6.830 1.00 0.00 H new ATOM 0 HH TYR A 60 11.153 4.921 -7.713 1.00 0.00 H new ATOM 433 N ALA A 61 6.071 0.778 -1.207 1.00 0.00 N ATOM 434 CA ALA A 61 5.794 -0.137 -0.063 1.00 0.00 C ATOM 435 C ALA A 61 6.423 0.437 1.206 1.00 0.00 C ATOM 436 O ALA A 61 6.904 1.553 1.223 1.00 0.00 O ATOM 437 CB ALA A 61 6.403 -1.508 -0.353 1.00 0.00 C ATOM 0 H ALA A 61 5.262 1.046 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 61 4.717 -0.237 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.202 -2.179 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.962 -1.917 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.480 -1.407 -0.486 1.00 0.00 H new ATOM 438 N ASP A 62 6.427 -0.318 2.268 1.00 0.00 N ATOM 439 CA ASP A 62 7.028 0.184 3.536 1.00 0.00 C ATOM 440 C ASP A 62 8.317 -0.589 3.831 1.00 0.00 C ATOM 441 O ASP A 62 8.986 -0.345 4.815 1.00 0.00 O ATOM 442 CB ASP A 62 6.032 -0.014 4.681 1.00 0.00 C ATOM 443 CG ASP A 62 6.523 0.729 5.924 1.00 0.00 C ATOM 444 OD1 ASP A 62 7.370 0.189 6.617 1.00 0.00 O ATOM 445 OD2 ASP A 62 6.045 1.826 6.162 1.00 0.00 O ATOM 0 H ASP A 62 6.040 -1.261 2.314 1.00 0.00 H new ATOM 0 HA ASP A 62 7.260 1.244 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.049 0.356 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.921 -1.076 4.900 1.00 0.00 H new ATOM 446 N SER A 63 8.672 -1.521 2.985 1.00 0.00 N ATOM 447 CA SER A 63 9.918 -2.308 3.222 1.00 0.00 C ATOM 448 C SER A 63 10.699 -2.464 1.918 1.00 0.00 C ATOM 449 O SER A 63 11.745 -3.082 1.886 1.00 0.00 O ATOM 450 CB SER A 63 9.556 -3.700 3.726 1.00 0.00 C ATOM 451 OG SER A 63 8.487 -3.602 4.658 1.00 0.00 O ATOM 0 H SER A 63 8.154 -1.771 2.142 1.00 0.00 H new ATOM 0 HA SER A 63 10.524 -1.780 3.958 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.267 -4.338 2.890 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.422 -4.165 4.197 1.00 0.00 H new ATOM 0 HG SER A 63 8.252 -4.497 4.982 1.00 0.00 H new ATOM 452 N VAL A 64 10.210 -1.923 0.840 1.00 0.00 N ATOM 453 CA VAL A 64 10.943 -2.067 -0.442 1.00 0.00 C ATOM 454 C VAL A 64 11.314 -0.683 -0.974 1.00 0.00 C ATOM 455 O VAL A 64 11.419 -0.474 -2.165 1.00 0.00 O ATOM 456 CB VAL A 64 10.076 -2.790 -1.474 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.961 -3.719 -2.306 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.997 -3.622 -0.773 1.00 0.00 C ATOM 0 H VAL A 64 9.341 -1.391 0.792 1.00 0.00 H new ATOM 0 HA VAL A 64 11.846 -2.652 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 64 9.595 -2.051 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.350 -4.238 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.726 -3.133 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.438 -4.449 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.388 -4.131 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.470 -4.361 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.365 -2.967 -0.174 1.00 0.00 H new ATOM 459 N LYS A 65 11.509 0.265 -0.099 1.00 0.00 N ATOM 460 CA LYS A 65 11.873 1.634 -0.558 1.00 0.00 C ATOM 461 C LYS A 65 13.124 1.563 -1.434 1.00 0.00 C ATOM 462 O LYS A 65 14.162 1.094 -1.015 1.00 0.00 O ATOM 463 CB LYS A 65 12.147 2.527 0.653 1.00 0.00 C ATOM 464 CG LYS A 65 13.265 1.919 1.497 1.00 0.00 C ATOM 465 CD LYS A 65 12.763 1.706 2.926 1.00 0.00 C ATOM 466 CE LYS A 65 12.978 0.248 3.333 1.00 0.00 C ATOM 467 NZ LYS A 65 14.111 0.162 4.296 1.00 0.00 N ATOM 0 H LYS A 65 11.432 0.151 0.912 1.00 0.00 H new ATOM 0 HA LYS A 65 11.048 2.052 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.429 3.527 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.242 2.632 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.586 0.970 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.134 2.578 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.294 2.367 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.705 1.960 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.071 -0.152 3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.189 -0.359 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.257 -0.830 4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.976 0.527 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.893 0.728 5.140 1.00 0.00 H new ATOM 468 N GLY A 66 13.031 2.025 -2.652 1.00 0.00 N ATOM 469 CA GLY A 66 14.213 1.984 -3.558 1.00 0.00 C ATOM 470 C GLY A 66 14.225 0.658 -4.322 1.00 0.00 C ATOM 471 O GLY A 66 14.671 0.582 -5.449 1.00 0.00 O ATOM 0 H GLY A 66 12.187 2.429 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.177 2.819 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.131 2.091 -2.980 1.00 0.00 H new ATOM 472 N ARG A 67 13.736 -0.389 -3.715 1.00 0.00 N ATOM 473 CA ARG A 67 13.717 -1.711 -4.401 1.00 0.00 C ATOM 474 C ARG A 67 12.342 -1.934 -5.033 1.00 0.00 C ATOM 475 O ARG A 67 12.006 -3.031 -5.433 1.00 0.00 O ATOM 476 CB ARG A 67 13.991 -2.818 -3.381 1.00 0.00 C ATOM 477 CG ARG A 67 15.481 -3.172 -3.392 1.00 0.00 C ATOM 478 CD ARG A 67 15.682 -4.550 -2.759 1.00 0.00 C ATOM 479 NE ARG A 67 16.508 -4.415 -1.526 1.00 0.00 N ATOM 480 CZ ARG A 67 17.775 -4.719 -1.552 1.00 0.00 C ATOM 481 NH1 ARG A 67 18.439 -4.653 -2.674 1.00 0.00 N ATOM 482 NH2 ARG A 67 18.381 -5.087 -0.457 1.00 0.00 N ATOM 0 H ARG A 67 13.348 -0.385 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 67 14.484 -1.731 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.692 -2.490 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.396 -3.700 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.858 -3.171 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.048 -2.421 -2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.717 -4.995 -2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.172 -5.219 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 67 16.081 -4.084 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.966 -4.364 -3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.431 -4.891 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.863 -5.137 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.373 -5.325 -0.478 1.00 0.00 H new ATOM 483 N PHE A 68 11.546 -0.904 -5.131 1.00 0.00 N ATOM 484 CA PHE A 68 10.192 -1.055 -5.737 1.00 0.00 C ATOM 485 C PHE A 68 10.074 -0.073 -6.900 1.00 0.00 C ATOM 486 O PHE A 68 10.861 0.840 -7.018 1.00 0.00 O ATOM 487 CB PHE A 68 9.131 -0.719 -4.689 1.00 0.00 C ATOM 488 CG PHE A 68 8.499 -1.976 -4.134 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.102 -3.228 -4.316 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.302 -1.882 -3.420 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.507 -4.375 -3.783 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.707 -3.027 -2.888 1.00 0.00 C ATOM 493 CZ PHE A 68 7.309 -4.273 -3.068 1.00 0.00 C ATOM 0 H PHE A 68 11.776 0.039 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 68 10.047 -2.077 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.583 -0.147 -3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.362 -0.087 -5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.027 -3.307 -4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.835 -0.919 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.972 -5.340 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.781 -2.949 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.850 -5.159 -2.655 1.00 0.00 H new ATOM 494 N THR A 69 9.114 -0.243 -7.767 1.00 0.00 N ATOM 495 CA THR A 69 9.004 0.716 -8.904 1.00 0.00 C ATOM 496 C THR A 69 7.539 0.986 -9.264 1.00 0.00 C ATOM 497 O THR A 69 6.743 0.080 -9.420 1.00 0.00 O ATOM 498 CB THR A 69 9.714 0.134 -10.119 1.00 0.00 C ATOM 499 OG1 THR A 69 9.782 1.116 -11.143 1.00 0.00 O ATOM 500 CG2 THR A 69 8.932 -1.074 -10.616 1.00 0.00 C ATOM 0 H THR A 69 8.416 -0.986 -7.741 1.00 0.00 H new ATOM 0 HA THR A 69 9.465 1.657 -8.604 1.00 0.00 H new ATOM 0 HB THR A 69 10.725 -0.170 -9.848 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.240 0.742 -11.925 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.432 -1.498 -11.486 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.880 -1.823 -9.826 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.923 -0.766 -10.892 1.00 0.00 H new ATOM 501 N ILE A 70 7.195 2.238 -9.426 1.00 0.00 N ATOM 502 CA ILE A 70 5.802 2.609 -9.811 1.00 0.00 C ATOM 503 C ILE A 70 5.705 2.596 -11.338 1.00 0.00 C ATOM 504 O ILE A 70 5.710 3.630 -11.974 1.00 0.00 O ATOM 505 CB ILE A 70 5.495 4.012 -9.292 1.00 0.00 C ATOM 506 CG1 ILE A 70 4.089 4.427 -9.732 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.515 4.981 -9.872 1.00 0.00 C ATOM 508 CD1 ILE A 70 3.082 3.347 -9.324 1.00 0.00 C ATOM 0 H ILE A 70 7.829 3.028 -9.306 1.00 0.00 H new ATOM 0 HA ILE A 70 5.089 1.904 -9.385 1.00 0.00 H new ATOM 0 HB ILE A 70 5.546 4.024 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.821 5.380 -9.275 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.063 4.573 -10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.308 5.988 -9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.517 4.683 -9.563 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.452 4.967 -10.960 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.082 3.645 -9.638 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.347 2.404 -9.802 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.100 3.223 -8.241 1.00 0.00 H new ATOM 509 N SER A 71 5.628 1.434 -11.939 1.00 0.00 N ATOM 510 CA SER A 71 5.543 1.381 -13.425 1.00 0.00 C ATOM 511 C SER A 71 4.360 2.235 -13.878 1.00 0.00 C ATOM 512 O SER A 71 3.635 2.774 -13.066 1.00 0.00 O ATOM 513 CB SER A 71 5.358 -0.064 -13.881 1.00 0.00 C ATOM 514 OG SER A 71 5.633 -0.157 -15.274 1.00 0.00 O ATOM 0 H SER A 71 5.621 0.530 -11.467 1.00 0.00 H new ATOM 0 HA SER A 71 6.462 1.767 -13.866 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.024 -0.722 -13.323 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.339 -0.394 -13.677 1.00 0.00 H new ATOM 0 HG SER A 71 5.517 -1.084 -15.569 1.00 0.00 H new ATOM 515 N ARG A 72 4.159 2.390 -15.157 1.00 0.00 N ATOM 516 CA ARG A 72 3.028 3.252 -15.601 1.00 0.00 C ATOM 517 C ARG A 72 2.751 3.073 -17.100 1.00 0.00 C ATOM 518 O ARG A 72 3.650 2.865 -17.891 1.00 0.00 O ATOM 519 CB ARG A 72 3.404 4.708 -15.251 1.00 0.00 C ATOM 520 CG ARG A 72 3.015 5.698 -16.356 1.00 0.00 C ATOM 521 CD ARG A 72 1.537 6.043 -16.223 1.00 0.00 C ATOM 522 NE ARG A 72 1.083 6.722 -17.459 1.00 0.00 N ATOM 523 CZ ARG A 72 1.714 7.782 -17.887 1.00 0.00 C ATOM 524 NH1 ARG A 72 2.868 7.659 -18.483 1.00 0.00 N ATOM 525 NH2 ARG A 72 1.193 8.967 -17.714 1.00 0.00 N ATOM 0 H ARG A 72 4.715 1.967 -15.900 1.00 0.00 H new ATOM 0 HA ARG A 72 2.104 2.974 -15.093 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.911 4.994 -14.322 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.478 4.770 -15.074 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.620 6.602 -16.280 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.212 5.263 -17.336 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.953 5.138 -16.056 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.378 6.689 -15.359 1.00 0.00 H new ATOM 0 HE ARG A 72 0.280 6.362 -17.974 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.278 6.734 -18.615 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.360 8.487 -18.817 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.293 9.065 -17.244 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.686 9.795 -18.048 1.00 0.00 H new ATOM 526 N ASP A 73 1.501 3.165 -17.488 1.00 0.00 N ATOM 527 CA ASP A 73 1.146 3.014 -18.926 1.00 0.00 C ATOM 528 C ASP A 73 0.172 4.138 -19.332 1.00 0.00 C ATOM 529 O ASP A 73 -1.040 4.021 -19.188 1.00 0.00 O ATOM 530 CB ASP A 73 0.508 1.643 -19.164 1.00 0.00 C ATOM 531 CG ASP A 73 1.464 0.539 -18.705 1.00 0.00 C ATOM 532 OD1 ASP A 73 2.045 0.683 -17.643 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.599 -0.436 -19.427 1.00 0.00 O ATOM 0 H ASP A 73 0.712 3.339 -16.865 1.00 0.00 H new ATOM 0 HA ASP A 73 2.047 3.086 -19.535 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.434 1.571 -18.620 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.275 1.519 -20.222 1.00 0.00 H new ATOM 534 N ASN A 74 0.724 5.227 -19.820 1.00 0.00 N ATOM 535 CA ASN A 74 -0.074 6.421 -20.250 1.00 0.00 C ATOM 536 C ASN A 74 -1.200 6.041 -21.223 1.00 0.00 C ATOM 537 O ASN A 74 -2.364 6.072 -20.880 1.00 0.00 O ATOM 538 CB ASN A 74 0.866 7.387 -20.970 1.00 0.00 C ATOM 539 CG ASN A 74 0.142 8.708 -21.232 1.00 0.00 C ATOM 540 OD1 ASN A 74 -0.633 9.161 -20.415 1.00 0.00 O ATOM 541 ND2 ASN A 74 0.364 9.349 -22.347 1.00 0.00 N ATOM 0 H ASN A 74 1.731 5.339 -19.941 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.523 6.868 -19.363 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.756 7.562 -20.366 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.200 6.951 -21.911 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.114 10.231 -22.532 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.015 8.968 -23.033 1.00 0.00 H new ATOM 542 N SER A 75 -0.861 5.720 -22.449 1.00 0.00 N ATOM 543 CA SER A 75 -1.910 5.383 -23.461 1.00 0.00 C ATOM 544 C SER A 75 -2.395 3.941 -23.297 1.00 0.00 C ATOM 545 O SER A 75 -2.737 3.281 -24.256 1.00 0.00 O ATOM 546 CB SER A 75 -1.331 5.562 -24.865 1.00 0.00 C ATOM 547 OG SER A 75 -2.376 5.445 -25.822 1.00 0.00 O ATOM 0 H SER A 75 0.099 5.677 -22.792 1.00 0.00 H new ATOM 0 HA SER A 75 -2.759 6.051 -23.311 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.851 6.537 -24.951 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.564 4.811 -25.053 1.00 0.00 H new ATOM 0 HG SER A 75 -2.901 4.638 -25.636 1.00 0.00 H new ATOM 548 N LYS A 76 -2.445 3.453 -22.094 1.00 0.00 N ATOM 549 CA LYS A 76 -2.925 2.066 -21.877 1.00 0.00 C ATOM 550 C LYS A 76 -4.065 2.089 -20.862 1.00 0.00 C ATOM 551 O LYS A 76 -4.713 1.091 -20.619 1.00 0.00 O ATOM 552 CB LYS A 76 -1.783 1.219 -21.334 1.00 0.00 C ATOM 553 CG LYS A 76 -0.632 1.204 -22.348 1.00 0.00 C ATOM 554 CD LYS A 76 0.143 2.530 -22.294 1.00 0.00 C ATOM 555 CE LYS A 76 1.645 2.236 -22.354 1.00 0.00 C ATOM 556 NZ LYS A 76 2.205 2.758 -23.634 1.00 0.00 N ATOM 0 H LYS A 76 -2.173 3.956 -21.249 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.277 1.643 -22.818 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.438 1.622 -20.382 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.128 0.203 -21.144 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.040 0.373 -22.133 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.025 1.045 -23.352 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.148 3.170 -23.127 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.098 3.069 -21.378 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.151 2.700 -21.508 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.819 1.163 -22.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.225 2.558 -23.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.730 2.295 -24.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.051 3.785 -23.687 1.00 0.00 H new ATOM 557 N ASN A 77 -4.315 3.225 -20.267 1.00 0.00 N ATOM 558 CA ASN A 77 -5.397 3.322 -19.280 1.00 0.00 C ATOM 559 C ASN A 77 -4.975 2.660 -17.975 1.00 0.00 C ATOM 560 O ASN A 77 -5.809 2.293 -17.191 1.00 0.00 O ATOM 561 CB ASN A 77 -6.661 2.645 -19.817 1.00 0.00 C ATOM 562 CG ASN A 77 -6.881 3.058 -21.273 1.00 0.00 C ATOM 563 OD1 ASN A 77 -7.034 2.220 -22.138 1.00 0.00 O ATOM 564 ND2 ASN A 77 -6.906 4.327 -21.580 1.00 0.00 N ATOM 0 H ASN A 77 -3.803 4.091 -20.433 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.608 4.375 -19.094 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.564 1.562 -19.746 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.523 2.929 -19.213 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.054 4.615 -22.547 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.777 5.030 -20.853 1.00 0.00 H new ATOM 565 N THR A 78 -3.700 2.526 -17.686 1.00 0.00 N ATOM 566 CA THR A 78 -3.367 1.920 -16.366 1.00 0.00 C ATOM 567 C THR A 78 -1.904 2.081 -15.998 1.00 0.00 C ATOM 568 O THR A 78 -1.057 2.408 -16.803 1.00 0.00 O ATOM 569 CB THR A 78 -3.733 0.444 -16.369 1.00 0.00 C ATOM 570 OG1 THR A 78 -2.897 -0.253 -15.454 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.554 -0.133 -17.775 1.00 0.00 C ATOM 0 H THR A 78 -2.914 2.796 -18.277 1.00 0.00 H new ATOM 0 HA THR A 78 -3.949 2.453 -15.615 1.00 0.00 H new ATOM 0 HB THR A 78 -4.774 0.330 -16.068 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.112 -0.599 -15.927 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.818 -1.191 -17.771 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.201 0.399 -18.472 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.515 -0.019 -18.085 1.00 0.00 H new ATOM 572 N LEU A 79 -1.634 1.832 -14.752 1.00 0.00 N ATOM 573 CA LEU A 79 -0.268 1.928 -14.205 1.00 0.00 C ATOM 574 C LEU A 79 0.194 0.523 -13.908 1.00 0.00 C ATOM 575 O LEU A 79 -0.554 -0.402 -14.076 1.00 0.00 O ATOM 576 CB LEU A 79 -0.318 2.707 -12.902 1.00 0.00 C ATOM 577 CG LEU A 79 0.791 3.736 -12.896 1.00 0.00 C ATOM 578 CD1 LEU A 79 0.292 5.002 -13.594 1.00 0.00 C ATOM 579 CD2 LEU A 79 1.182 4.034 -11.449 1.00 0.00 C ATOM 0 H LEU A 79 -2.337 1.555 -14.067 1.00 0.00 H new ATOM 0 HA LEU A 79 0.402 2.424 -14.907 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.286 3.197 -12.794 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.207 2.030 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 79 1.667 3.362 -13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.083 5.752 -13.596 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.013 4.766 -14.621 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.576 5.392 -13.063 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.981 4.775 -11.433 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.317 4.422 -10.911 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.527 3.118 -10.969 1.00 0.00 H new ATOM 580 N TYR A 80 1.401 0.343 -13.466 1.00 0.00 N ATOM 581 CA TYR A 80 1.867 -1.037 -13.165 1.00 0.00 C ATOM 582 C TYR A 80 2.873 -0.987 -12.016 1.00 0.00 C ATOM 583 O TYR A 80 3.395 0.061 -11.686 1.00 0.00 O ATOM 584 CB TYR A 80 2.517 -1.631 -14.415 1.00 0.00 C ATOM 585 CG TYR A 80 1.445 -2.033 -15.398 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.765 -1.056 -16.136 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.147 -3.382 -15.584 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.215 -1.432 -17.060 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.163 -3.762 -16.505 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.518 -2.787 -17.245 1.00 0.00 C ATOM 591 OH TYR A 80 -1.484 -3.161 -18.156 1.00 0.00 O ATOM 0 H TYR A 80 2.083 1.083 -13.300 1.00 0.00 H new ATOM 0 HA TYR A 80 1.024 -1.663 -12.872 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.188 -0.902 -14.870 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.122 -2.497 -14.146 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.998 -0.011 -15.991 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.675 -4.135 -15.017 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.738 -0.678 -17.630 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.071 -4.807 -16.645 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.569 -4.137 -18.161 1.00 0.00 H new ATOM 592 N LEU A 81 3.144 -2.097 -11.390 1.00 0.00 N ATOM 593 CA LEU A 81 4.107 -2.072 -10.253 1.00 0.00 C ATOM 594 C LEU A 81 5.048 -3.263 -10.300 1.00 0.00 C ATOM 595 O LEU A 81 4.625 -4.402 -10.276 1.00 0.00 O ATOM 596 CB LEU A 81 3.352 -2.188 -8.929 1.00 0.00 C ATOM 597 CG LEU A 81 2.880 -0.827 -8.440 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.600 -0.914 -6.934 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.952 0.224 -8.657 1.00 0.00 C ATOM 0 H LEU A 81 2.747 -3.010 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 81 4.662 -1.137 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.495 -2.849 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.998 -2.642 -8.178 1.00 0.00 H new ATOM 0 HG LEU A 81 1.984 -0.549 -8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.261 0.056 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.828 -1.661 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.512 -1.199 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.593 1.189 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.851 -0.054 -8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.184 0.293 -9.720 1.00 0.00 H new ATOM 600 N GLN A 82 6.320 -3.015 -10.261 1.00 0.00 N ATOM 601 CA GLN A 82 7.271 -4.143 -10.187 1.00 0.00 C ATOM 602 C GLN A 82 7.747 -4.147 -8.735 1.00 0.00 C ATOM 603 O GLN A 82 8.600 -3.366 -8.342 1.00 0.00 O ATOM 604 CB GLN A 82 8.455 -3.951 -11.144 1.00 0.00 C ATOM 605 CG GLN A 82 7.979 -3.291 -12.444 1.00 0.00 C ATOM 606 CD GLN A 82 8.025 -4.319 -13.577 1.00 0.00 C ATOM 607 OE1 GLN A 82 8.420 -4.003 -14.683 1.00 0.00 O ATOM 608 NE2 GLN A 82 7.635 -5.543 -13.348 1.00 0.00 N ATOM 0 H GLN A 82 6.739 -2.085 -10.277 1.00 0.00 H new ATOM 0 HA GLN A 82 6.805 -5.083 -10.480 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.218 -3.333 -10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.916 -4.914 -11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.965 -2.911 -12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.612 -2.437 -12.686 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.304 -5.808 -12.420 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.661 -6.235 -14.097 1.00 0.00 H new ATOM 609 N MET A 83 7.150 -4.971 -7.921 1.00 0.00 N ATOM 610 CA MET A 83 7.511 -4.995 -6.472 1.00 0.00 C ATOM 611 C MET A 83 8.006 -6.392 -6.091 1.00 0.00 C ATOM 612 O MET A 83 7.250 -7.341 -6.069 1.00 0.00 O ATOM 613 CB MET A 83 6.272 -4.625 -5.618 1.00 0.00 C ATOM 614 CG MET A 83 4.983 -4.786 -6.434 1.00 0.00 C ATOM 615 SD MET A 83 3.597 -5.142 -5.322 1.00 0.00 S ATOM 616 CE MET A 83 2.376 -4.100 -6.159 1.00 0.00 C ATOM 0 H MET A 83 6.424 -5.633 -8.196 1.00 0.00 H new ATOM 0 HA MET A 83 8.302 -4.269 -6.284 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.230 -5.261 -4.734 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.360 -3.597 -5.267 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.783 -3.876 -7.000 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.098 -5.593 -7.158 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.846 -3.497 -5.422 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.882 -3.445 -6.868 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.664 -4.730 -6.692 1.00 0.00 H new ATOM 617 N ASN A 84 9.272 -6.526 -5.792 1.00 0.00 N ATOM 618 CA ASN A 84 9.810 -7.864 -5.414 1.00 0.00 C ATOM 619 C ASN A 84 10.404 -7.803 -4.005 1.00 0.00 C ATOM 620 O ASN A 84 9.980 -7.021 -3.177 1.00 0.00 O ATOM 621 CB ASN A 84 10.894 -8.287 -6.417 1.00 0.00 C ATOM 622 CG ASN A 84 12.202 -7.550 -6.123 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.240 -6.335 -6.104 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.285 -8.240 -5.890 1.00 0.00 N ATOM 0 H ASN A 84 9.954 -5.768 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 84 9.001 -8.595 -5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.054 -9.364 -6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.565 -8.068 -7.433 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.163 -7.760 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.254 -9.259 -5.906 1.00 0.00 H new ATOM 625 N SER A 85 11.383 -8.627 -3.734 1.00 0.00 N ATOM 626 CA SER A 85 12.025 -8.637 -2.385 1.00 0.00 C ATOM 627 C SER A 85 11.202 -9.494 -1.416 1.00 0.00 C ATOM 628 O SER A 85 11.691 -9.919 -0.388 1.00 0.00 O ATOM 629 CB SER A 85 12.129 -7.210 -1.844 1.00 0.00 C ATOM 630 OG SER A 85 13.160 -7.155 -0.866 1.00 0.00 O ATOM 0 H SER A 85 11.769 -9.300 -4.396 1.00 0.00 H new ATOM 0 HA SER A 85 13.025 -9.061 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.344 -6.515 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.179 -6.904 -1.406 1.00 0.00 H new ATOM 0 HG SER A 85 13.232 -6.242 -0.517 1.00 0.00 H new ATOM 631 N LEU A 86 9.960 -9.757 -1.728 1.00 0.00 N ATOM 632 CA LEU A 86 9.129 -10.591 -0.811 1.00 0.00 C ATOM 633 C LEU A 86 9.863 -11.906 -0.520 1.00 0.00 C ATOM 634 O LEU A 86 11.003 -12.082 -0.903 1.00 0.00 O ATOM 635 CB LEU A 86 7.779 -10.881 -1.467 1.00 0.00 C ATOM 636 CG LEU A 86 6.941 -9.599 -1.482 1.00 0.00 C ATOM 637 CD1 LEU A 86 7.237 -8.810 -2.757 1.00 0.00 C ATOM 638 CD2 LEU A 86 5.453 -9.957 -1.438 1.00 0.00 C ATOM 0 H LEU A 86 9.488 -9.433 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 86 8.962 -10.056 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.926 -11.246 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.256 -11.665 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 86 7.194 -8.993 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.640 -7.898 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.295 -8.552 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.986 -9.417 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.859 -9.043 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.199 -10.565 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.240 -10.518 -0.528 1.00 0.00 H new ATOM 639 N ARG A 87 9.234 -12.829 0.159 1.00 0.00 N ATOM 640 CA ARG A 87 9.926 -14.116 0.471 1.00 0.00 C ATOM 641 C ARG A 87 8.922 -15.272 0.510 1.00 0.00 C ATOM 642 O ARG A 87 8.831 -15.989 1.485 1.00 0.00 O ATOM 643 CB ARG A 87 10.607 -14.002 1.832 1.00 0.00 C ATOM 644 CG ARG A 87 9.544 -13.989 2.931 1.00 0.00 C ATOM 645 CD ARG A 87 9.674 -12.706 3.754 1.00 0.00 C ATOM 646 NE ARG A 87 10.627 -12.930 4.877 1.00 0.00 N ATOM 647 CZ ARG A 87 10.629 -12.119 5.900 1.00 0.00 C ATOM 648 NH1 ARG A 87 10.141 -10.914 5.779 1.00 0.00 N ATOM 649 NH2 ARG A 87 11.116 -12.516 7.043 1.00 0.00 N ATOM 0 H ARG A 87 8.279 -12.750 0.509 1.00 0.00 H new ATOM 0 HA ARG A 87 10.664 -14.315 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.290 -14.839 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.204 -13.091 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.549 -14.051 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.662 -14.860 3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.025 -11.890 3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.700 -12.411 4.143 1.00 0.00 H new ATOM 0 HE ARG A 87 11.277 -13.716 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.758 -10.606 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.143 -10.280 6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.494 -13.459 7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.118 -11.884 7.843 1.00 0.00 H new ATOM 650 N ALA A 88 8.175 -15.460 -0.542 1.00 0.00 N ATOM 651 CA ALA A 88 7.180 -16.578 -0.563 1.00 0.00 C ATOM 652 C ALA A 88 6.467 -16.657 0.781 1.00 0.00 C ATOM 653 O ALA A 88 6.017 -17.707 1.195 1.00 0.00 O ATOM 654 CB ALA A 88 7.902 -17.900 -0.804 1.00 0.00 C ATOM 0 H ALA A 88 8.207 -14.891 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 88 6.458 -16.393 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.176 -18.713 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.423 -17.861 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.623 -18.072 -0.005 1.00 0.00 H new ATOM 655 N GLU A 89 6.374 -15.566 1.478 1.00 0.00 N ATOM 656 CA GLU A 89 5.710 -15.596 2.800 1.00 0.00 C ATOM 657 C GLU A 89 5.159 -14.209 3.122 1.00 0.00 C ATOM 658 O GLU A 89 5.216 -13.751 4.245 1.00 0.00 O ATOM 659 CB GLU A 89 6.745 -16.002 3.845 1.00 0.00 C ATOM 660 CG GLU A 89 6.254 -17.245 4.582 1.00 0.00 C ATOM 661 CD GLU A 89 6.419 -17.047 6.091 1.00 0.00 C ATOM 662 OE1 GLU A 89 6.948 -16.018 6.479 1.00 0.00 O ATOM 663 OE2 GLU A 89 6.015 -17.928 6.831 1.00 0.00 O ATOM 0 H GLU A 89 6.730 -14.655 1.188 1.00 0.00 H new ATOM 0 HA GLU A 89 4.886 -16.309 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.703 -16.204 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.906 -15.187 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.207 -17.432 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.817 -18.119 4.256 1.00 0.00 H new ATOM 664 N ASP A 90 4.626 -13.534 2.141 1.00 0.00 N ATOM 665 CA ASP A 90 4.075 -12.178 2.393 1.00 0.00 C ATOM 666 C ASP A 90 2.965 -11.874 1.388 1.00 0.00 C ATOM 667 O ASP A 90 2.925 -10.810 0.802 1.00 0.00 O ATOM 668 CB ASP A 90 5.191 -11.141 2.246 1.00 0.00 C ATOM 669 CG ASP A 90 6.410 -11.587 3.055 1.00 0.00 C ATOM 670 OD1 ASP A 90 6.310 -11.623 4.270 1.00 0.00 O ATOM 671 OD2 ASP A 90 7.423 -11.887 2.445 1.00 0.00 O ATOM 0 H ASP A 90 4.549 -13.864 1.179 1.00 0.00 H new ATOM 0 HA ASP A 90 3.666 -12.138 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.460 -11.027 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.846 -10.168 2.595 1.00 0.00 H new ATOM 672 N THR A 91 2.047 -12.784 1.192 1.00 0.00 N ATOM 673 CA THR A 91 0.944 -12.502 0.237 1.00 0.00 C ATOM 674 C THR A 91 0.343 -11.157 0.629 1.00 0.00 C ATOM 675 O THR A 91 0.468 -10.734 1.759 1.00 0.00 O ATOM 676 CB THR A 91 -0.116 -13.604 0.330 1.00 0.00 C ATOM 677 OG1 THR A 91 0.424 -14.817 -0.174 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.344 -13.209 -0.491 1.00 0.00 C ATOM 0 H THR A 91 2.015 -13.697 1.646 1.00 0.00 H new ATOM 0 HA THR A 91 1.311 -12.473 -0.789 1.00 0.00 H new ATOM 0 HB THR A 91 -0.410 -13.739 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.251 -15.525 -0.115 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.096 -13.995 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.757 -12.278 -0.103 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.056 -13.072 -1.533 1.00 0.00 H new ATOM 679 N ALA A 92 -0.281 -10.455 -0.275 1.00 0.00 N ATOM 680 CA ALA A 92 -0.834 -9.132 0.121 1.00 0.00 C ATOM 681 C ALA A 92 -2.009 -8.730 -0.767 1.00 0.00 C ATOM 682 O ALA A 92 -2.253 -9.298 -1.813 1.00 0.00 O ATOM 683 CB ALA A 92 0.265 -8.077 -0.002 1.00 0.00 C ATOM 0 H ALA A 92 -0.429 -10.731 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.190 -9.203 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.131 -7.103 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.096 -8.339 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.615 -8.035 -1.033 1.00 0.00 H new ATOM 684 N VAL A 93 -2.711 -7.714 -0.352 1.00 0.00 N ATOM 685 CA VAL A 93 -3.851 -7.188 -1.135 1.00 0.00 C ATOM 686 C VAL A 93 -3.600 -5.686 -1.264 1.00 0.00 C ATOM 687 O VAL A 93 -3.144 -5.058 -0.339 1.00 0.00 O ATOM 688 CB VAL A 93 -5.166 -7.479 -0.406 1.00 0.00 C ATOM 689 CG1 VAL A 93 -6.310 -6.745 -1.107 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.437 -8.984 -0.440 1.00 0.00 C ATOM 0 H VAL A 93 -2.533 -7.217 0.521 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.932 -7.654 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.094 -7.140 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.246 -6.952 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.117 -5.672 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.383 -7.087 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.372 -9.197 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.511 -9.317 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.621 -9.512 0.053 1.00 0.00 H new ATOM 691 N TYR A 94 -3.821 -5.112 -2.404 1.00 0.00 N ATOM 692 CA TYR A 94 -3.502 -3.662 -2.565 1.00 0.00 C ATOM 693 C TYR A 94 -4.733 -2.880 -3.042 1.00 0.00 C ATOM 694 O TYR A 94 -5.587 -3.409 -3.718 1.00 0.00 O ATOM 695 CB TYR A 94 -2.394 -3.552 -3.622 1.00 0.00 C ATOM 696 CG TYR A 94 -1.193 -4.379 -3.221 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.899 -4.604 -1.872 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.368 -4.913 -4.212 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.219 -5.364 -1.514 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.751 -5.676 -3.854 1.00 0.00 C ATOM 701 CZ TYR A 94 1.044 -5.902 -2.506 1.00 0.00 C ATOM 702 OH TYR A 94 2.145 -6.655 -2.155 1.00 0.00 O ATOM 0 H TYR A 94 -4.205 -5.572 -3.229 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.187 -3.244 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.770 -3.891 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.101 -2.509 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.537 -4.190 -1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.592 -4.738 -5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.445 -5.535 -0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.389 -6.090 -4.621 1.00 0.00 H new ATOM 0 HH TYR A 94 2.344 -6.520 -1.205 1.00 0.00 H new ATOM 703 N TYR A 95 -4.828 -1.617 -2.714 1.00 0.00 N ATOM 704 CA TYR A 95 -6.002 -0.825 -3.182 1.00 0.00 C ATOM 705 C TYR A 95 -5.502 0.491 -3.756 1.00 0.00 C ATOM 706 O TYR A 95 -4.879 1.280 -3.075 1.00 0.00 O ATOM 707 CB TYR A 95 -6.945 -0.555 -2.021 1.00 0.00 C ATOM 708 CG TYR A 95 -7.609 -1.844 -1.628 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.876 -2.815 -0.948 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.953 -2.072 -1.947 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.483 -4.022 -0.586 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.562 -3.278 -1.584 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.826 -4.254 -0.901 1.00 0.00 C ATOM 714 OH TYR A 95 -9.424 -5.445 -0.544 1.00 0.00 O ATOM 0 H TYR A 95 -4.151 -1.105 -2.148 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.543 -1.384 -3.946 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.395 -0.141 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.694 0.184 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.840 -2.636 -0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.519 -1.317 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.914 -4.776 -0.062 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.598 -3.456 -1.830 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.928 -5.851 0.197 1.00 0.00 H new ATOM 715 N CYS A 96 -5.746 0.728 -5.011 1.00 0.00 N ATOM 716 CA CYS A 96 -5.250 1.981 -5.624 1.00 0.00 C ATOM 717 C CYS A 96 -5.788 3.204 -4.876 1.00 0.00 C ATOM 718 O CYS A 96 -6.477 3.083 -3.882 1.00 0.00 O ATOM 719 CB CYS A 96 -5.660 2.046 -7.098 1.00 0.00 C ATOM 720 SG CYS A 96 -4.838 0.748 -8.064 1.00 0.00 S ATOM 0 H CYS A 96 -6.265 0.110 -5.635 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.162 1.987 -5.556 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.741 1.937 -7.183 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.405 3.024 -7.507 1.00 0.00 H new ATOM 721 N ALA A 97 -5.462 4.385 -5.343 1.00 0.00 N ATOM 722 CA ALA A 97 -5.944 5.621 -4.647 1.00 0.00 C ATOM 723 C ALA A 97 -5.225 6.851 -5.222 1.00 0.00 C ATOM 724 O ALA A 97 -4.023 6.868 -5.323 1.00 0.00 O ATOM 725 CB ALA A 97 -5.623 5.513 -3.156 1.00 0.00 C ATOM 0 H ALA A 97 -4.887 4.547 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.019 5.723 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.971 6.410 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.123 4.639 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.546 5.413 -3.022 1.00 0.00 H new ATOM 726 N ARG A 98 -5.939 7.887 -5.594 1.00 0.00 N ATOM 727 CA ARG A 98 -5.249 9.091 -6.156 1.00 0.00 C ATOM 728 C ARG A 98 -4.450 9.792 -5.052 1.00 0.00 C ATOM 729 O ARG A 98 -4.273 9.262 -3.972 1.00 0.00 O ATOM 730 CB ARG A 98 -6.274 10.066 -6.745 1.00 0.00 C ATOM 731 CG ARG A 98 -5.713 10.676 -8.036 1.00 0.00 C ATOM 732 CD ARG A 98 -5.727 9.635 -9.157 1.00 0.00 C ATOM 733 NE ARG A 98 -6.431 10.198 -10.342 1.00 0.00 N ATOM 734 CZ ARG A 98 -7.660 10.623 -10.234 1.00 0.00 C ATOM 735 NH1 ARG A 98 -8.540 9.920 -9.578 1.00 0.00 N ATOM 736 NH2 ARG A 98 -8.008 11.752 -10.786 1.00 0.00 N ATOM 0 H ARG A 98 -6.955 7.951 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.572 8.769 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.210 9.546 -6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.499 10.853 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.307 11.543 -8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.695 11.029 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.707 9.357 -9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.227 8.727 -8.820 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.951 10.252 -11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.268 9.036 -9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.500 10.254 -9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.320 12.301 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.968 12.086 -10.703 1.00 0.00 H new ATOM 737 N LEU A 99 -3.948 10.971 -5.316 1.00 0.00 N ATOM 738 CA LEU A 99 -3.144 11.685 -4.280 1.00 0.00 C ATOM 739 C LEU A 99 -2.900 13.141 -4.697 1.00 0.00 C ATOM 740 O LEU A 99 -1.774 13.554 -4.889 1.00 0.00 O ATOM 741 CB LEU A 99 -1.789 10.986 -4.110 1.00 0.00 C ATOM 742 CG LEU A 99 -1.446 10.179 -5.371 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.661 11.037 -6.624 1.00 0.00 C ATOM 744 CD2 LEU A 99 0.016 9.736 -5.314 1.00 0.00 C ATOM 0 H LEU A 99 -4.059 11.468 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.697 11.668 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.011 11.726 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.819 10.325 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.097 9.306 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.414 10.454 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.703 11.352 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.018 11.916 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.258 9.163 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.660 10.614 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.174 9.115 -4.432 1.00 0.00 H new ATOM 745 N LYS A 100 -3.932 13.928 -4.836 1.00 0.00 N ATOM 746 CA LYS A 100 -3.719 15.350 -5.240 1.00 0.00 C ATOM 747 C LYS A 100 -4.763 16.247 -4.572 1.00 0.00 C ATOM 748 O LYS A 100 -4.437 17.086 -3.758 1.00 0.00 O ATOM 749 CB LYS A 100 -3.839 15.483 -6.764 1.00 0.00 C ATOM 750 CG LYS A 100 -4.686 14.337 -7.326 1.00 0.00 C ATOM 751 CD LYS A 100 -5.460 14.824 -8.555 1.00 0.00 C ATOM 752 CE LYS A 100 -4.524 15.609 -9.476 1.00 0.00 C ATOM 753 NZ LYS A 100 -4.739 17.070 -9.273 1.00 0.00 N ATOM 0 H LYS A 100 -4.903 13.654 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.722 15.658 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.293 16.440 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.848 15.470 -7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.046 13.497 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.380 13.978 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.884 13.974 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.294 15.454 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.487 15.350 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.713 15.344 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.168 17.480 -10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.373 17.218 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.826 17.533 -9.088 1.00 0.00 H new ATOM 754 N LYS A 101 -6.011 16.074 -4.917 1.00 0.00 N ATOM 755 CA LYS A 101 -7.097 16.911 -4.319 1.00 0.00 C ATOM 756 C LYS A 101 -8.294 16.886 -5.264 1.00 0.00 C ATOM 757 O LYS A 101 -9.276 16.216 -5.012 1.00 0.00 O ATOM 758 CB LYS A 101 -6.625 18.358 -4.134 1.00 0.00 C ATOM 759 CG LYS A 101 -7.829 19.251 -3.819 1.00 0.00 C ATOM 760 CD LYS A 101 -8.164 20.115 -5.036 1.00 0.00 C ATOM 761 CE LYS A 101 -8.572 21.514 -4.568 1.00 0.00 C ATOM 762 NZ LYS A 101 -9.642 22.045 -5.459 1.00 0.00 N ATOM 0 H LYS A 101 -6.330 15.382 -5.595 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.368 16.511 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.896 18.414 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.126 18.707 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.688 18.637 -3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.609 19.885 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.302 20.178 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.973 19.660 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.928 21.475 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.709 22.180 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.919 22.996 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.287 22.097 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.468 21.414 -5.424 1.00 0.00 H new ATOM 763 N TYR A 102 -8.214 17.587 -6.370 1.00 0.00 N ATOM 764 CA TYR A 102 -9.344 17.560 -7.339 1.00 0.00 C ATOM 765 C TYR A 102 -9.738 16.102 -7.518 1.00 0.00 C ATOM 766 O TYR A 102 -10.877 15.764 -7.774 1.00 0.00 O ATOM 767 CB TYR A 102 -8.890 18.137 -8.682 1.00 0.00 C ATOM 768 CG TYR A 102 -9.930 17.847 -9.740 1.00 0.00 C ATOM 769 CD1 TYR A 102 -10.061 16.553 -10.263 1.00 0.00 C ATOM 770 CD2 TYR A 102 -10.763 18.875 -10.200 1.00 0.00 C ATOM 771 CE1 TYR A 102 -11.025 16.289 -11.243 1.00 0.00 C ATOM 772 CE2 TYR A 102 -11.725 18.608 -11.181 1.00 0.00 C ATOM 773 CZ TYR A 102 -11.856 17.316 -11.702 1.00 0.00 C ATOM 774 OH TYR A 102 -12.804 17.056 -12.669 1.00 0.00 O ATOM 0 H TYR A 102 -7.421 18.170 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.183 18.154 -6.976 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.738 19.213 -8.594 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.933 17.702 -8.970 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.418 15.760 -9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -10.663 19.872 -9.798 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -11.127 15.292 -11.645 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.367 19.400 -11.536 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.297 17.878 -12.874 1.00 0.00 H new ATOM 775 N ALA A 103 -8.778 15.238 -7.353 1.00 0.00 N ATOM 776 CA ALA A 103 -9.028 13.787 -7.472 1.00 0.00 C ATOM 777 C ALA A 103 -8.995 13.192 -6.065 1.00 0.00 C ATOM 778 O ALA A 103 -9.461 13.798 -5.121 1.00 0.00 O ATOM 779 CB ALA A 103 -7.921 13.173 -8.322 1.00 0.00 C ATOM 0 H ALA A 103 -7.813 15.487 -7.136 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.992 13.587 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.090 12.101 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.924 13.633 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.957 13.346 -7.844 1.00 0.00 H new ATOM 780 N PHE A 104 -8.442 12.026 -5.909 1.00 0.00 N ATOM 781 CA PHE A 104 -8.375 11.424 -4.549 1.00 0.00 C ATOM 782 C PHE A 104 -9.777 10.954 -4.136 1.00 0.00 C ATOM 783 O PHE A 104 -10.766 11.409 -4.671 1.00 0.00 O ATOM 784 CB PHE A 104 -7.904 12.496 -3.562 1.00 0.00 C ATOM 785 CG PHE A 104 -6.728 12.005 -2.746 1.00 0.00 C ATOM 786 CD1 PHE A 104 -6.543 10.636 -2.507 1.00 0.00 C ATOM 787 CD2 PHE A 104 -5.822 12.933 -2.218 1.00 0.00 C ATOM 788 CE1 PHE A 104 -5.454 10.200 -1.743 1.00 0.00 C ATOM 789 CE2 PHE A 104 -4.733 12.497 -1.456 1.00 0.00 C ATOM 790 CZ PHE A 104 -4.549 11.130 -1.217 1.00 0.00 C ATOM 0 H PHE A 104 -8.035 11.465 -6.658 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.686 10.579 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.622 13.397 -4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.724 12.768 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.241 9.918 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.964 13.988 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.312 9.145 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.034 13.215 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.709 10.793 -0.627 1.00 0.00 H new ATOM 791 N ASP A 105 -9.873 10.072 -3.176 1.00 0.00 N ATOM 792 CA ASP A 105 -11.215 9.604 -2.715 1.00 0.00 C ATOM 793 C ASP A 105 -11.786 8.552 -3.671 1.00 0.00 C ATOM 794 O ASP A 105 -12.978 8.314 -3.697 1.00 0.00 O ATOM 795 CB ASP A 105 -12.173 10.796 -2.642 1.00 0.00 C ATOM 796 CG ASP A 105 -13.341 10.456 -1.715 1.00 0.00 C ATOM 797 OD1 ASP A 105 -13.214 10.689 -0.524 1.00 0.00 O ATOM 798 OD2 ASP A 105 -14.344 9.973 -2.212 1.00 0.00 O ATOM 0 H ASP A 105 -9.079 9.655 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.103 9.153 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.647 11.677 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.544 11.039 -3.638 1.00 0.00 H new ATOM 799 N TYR A 106 -10.959 7.905 -4.445 1.00 0.00 N ATOM 800 CA TYR A 106 -11.485 6.862 -5.375 1.00 0.00 C ATOM 801 C TYR A 106 -10.682 5.574 -5.201 1.00 0.00 C ATOM 802 O TYR A 106 -10.212 5.264 -4.125 1.00 0.00 O ATOM 803 CB TYR A 106 -11.370 7.335 -6.825 1.00 0.00 C ATOM 804 CG TYR A 106 -11.494 8.833 -6.889 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.702 9.456 -6.551 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.401 9.597 -7.296 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.811 10.849 -6.619 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.508 10.987 -7.367 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.713 11.616 -7.030 1.00 0.00 C ATOM 810 OH TYR A 106 -11.819 12.990 -7.102 1.00 0.00 O ATOM 0 H TYR A 106 -9.950 8.050 -4.475 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.534 6.681 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.413 7.023 -7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.149 6.871 -7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.548 8.862 -6.238 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.471 9.113 -7.556 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.740 11.332 -6.355 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.661 11.578 -7.682 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.968 13.258 -8.033 1.00 0.00 H new ATOM 811 N TRP A 107 -10.519 4.822 -6.254 1.00 0.00 N ATOM 812 CA TRP A 107 -9.747 3.556 -6.152 1.00 0.00 C ATOM 813 C TRP A 107 -10.223 2.765 -4.931 1.00 0.00 C ATOM 814 O TRP A 107 -9.785 2.998 -3.821 1.00 0.00 O ATOM 815 CB TRP A 107 -8.266 3.880 -5.999 1.00 0.00 C ATOM 816 CG TRP A 107 -7.879 4.969 -6.951 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.041 6.286 -6.713 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.276 4.868 -8.277 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.550 7.003 -7.780 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.082 6.175 -8.782 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.880 3.787 -9.083 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.515 6.398 -10.039 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.309 4.008 -10.345 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.127 5.310 -10.823 1.00 0.00 C ATOM 0 H TRP A 107 -10.888 5.031 -7.181 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.901 2.961 -7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.057 4.190 -4.975 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.669 2.989 -6.191 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.486 6.711 -5.825 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.534 8.022 -7.826 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.017 2.776 -8.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.378 7.406 -10.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.008 3.167 -10.952 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.687 5.473 -11.796 1.00 0.00 H new ATOM 825 N GLY A 108 -11.118 1.833 -5.120 1.00 0.00 N ATOM 826 CA GLY A 108 -11.613 1.041 -3.957 1.00 0.00 C ATOM 827 C GLY A 108 -12.100 -0.333 -4.422 1.00 0.00 C ATOM 828 O GLY A 108 -13.111 -0.828 -3.963 1.00 0.00 O ATOM 0 H GLY A 108 -11.525 1.587 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.816 0.923 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.425 1.575 -3.463 1.00 0.00 H new ATOM 829 N GLN A 109 -11.390 -0.960 -5.319 1.00 0.00 N ATOM 830 CA GLN A 109 -11.819 -2.306 -5.795 1.00 0.00 C ATOM 831 C GLN A 109 -11.056 -3.376 -5.012 1.00 0.00 C ATOM 832 O GLN A 109 -11.640 -4.285 -4.454 1.00 0.00 O ATOM 833 CB GLN A 109 -11.520 -2.450 -7.288 1.00 0.00 C ATOM 834 CG GLN A 109 -12.818 -2.308 -8.084 1.00 0.00 C ATOM 835 CD GLN A 109 -13.507 -3.671 -8.184 1.00 0.00 C ATOM 836 OE1 GLN A 109 -13.688 -4.348 -7.192 1.00 0.00 O ATOM 837 NE2 GLN A 109 -13.901 -4.105 -9.351 1.00 0.00 N ATOM 0 H GLN A 109 -10.534 -0.600 -5.742 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.891 -2.425 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.804 -1.690 -7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -11.063 -3.420 -7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.478 -1.590 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.605 -1.922 -9.081 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -13.749 -3.537 -10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -14.361 -5.012 -9.429 1.00 0.00 H new ATOM 838 N GLY A 110 -9.756 -3.270 -4.956 1.00 0.00 N ATOM 839 CA GLY A 110 -8.957 -4.275 -4.200 1.00 0.00 C ATOM 840 C GLY A 110 -8.214 -5.194 -5.174 1.00 0.00 C ATOM 841 O GLY A 110 -8.760 -5.636 -6.164 1.00 0.00 O ATOM 0 H GLY A 110 -9.213 -2.530 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.244 -3.769 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.612 -4.865 -3.559 1.00 0.00 H new ATOM 842 N THR A 111 -6.977 -5.500 -4.887 1.00 0.00 N ATOM 843 CA THR A 111 -6.199 -6.402 -5.776 1.00 0.00 C ATOM 844 C THR A 111 -5.278 -7.237 -4.893 1.00 0.00 C ATOM 845 O THR A 111 -5.562 -7.439 -3.730 1.00 0.00 O ATOM 846 CB THR A 111 -5.383 -5.580 -6.775 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.904 -6.433 -7.809 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.206 -4.921 -6.058 1.00 0.00 C ATOM 0 H THR A 111 -6.471 -5.160 -4.069 1.00 0.00 H new ATOM 0 HA THR A 111 -6.866 -7.050 -6.345 1.00 0.00 H new ATOM 0 HB THR A 111 -6.013 -4.805 -7.210 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.986 -6.181 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.626 -4.336 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.580 -4.266 -5.271 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.571 -5.690 -5.619 1.00 0.00 H new ATOM 849 N LEU A 112 -4.190 -7.740 -5.403 1.00 0.00 N ATOM 850 CA LEU A 112 -3.328 -8.568 -4.522 1.00 0.00 C ATOM 851 C LEU A 112 -2.104 -9.092 -5.262 1.00 0.00 C ATOM 852 O LEU A 112 -1.786 -8.686 -6.359 1.00 0.00 O ATOM 853 CB LEU A 112 -4.143 -9.773 -4.096 1.00 0.00 C ATOM 854 CG LEU A 112 -4.462 -10.554 -5.365 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.443 -11.685 -5.534 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.875 -11.130 -5.275 1.00 0.00 C ATOM 0 H LEU A 112 -3.868 -7.618 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.997 -7.957 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.584 -10.389 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.058 -9.463 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.407 -9.889 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.669 -12.246 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.441 -11.263 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.494 -12.352 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.099 -11.688 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.942 -11.796 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.593 -10.317 -5.162 1.00 0.00 H new ATOM 857 N VAL A 113 -1.449 -10.032 -4.646 1.00 0.00 N ATOM 858 CA VAL A 113 -0.251 -10.672 -5.249 1.00 0.00 C ATOM 859 C VAL A 113 0.074 -11.907 -4.421 1.00 0.00 C ATOM 860 O VAL A 113 -0.165 -11.942 -3.228 1.00 0.00 O ATOM 861 CB VAL A 113 0.942 -9.716 -5.232 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.269 -9.313 -6.665 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.603 -8.472 -4.411 1.00 0.00 C ATOM 0 H VAL A 113 -1.701 -10.392 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.454 -10.936 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 113 1.802 -10.210 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.119 -8.631 -6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.516 -10.202 -7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.406 -8.818 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.458 -7.796 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.255 -7.967 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.364 -8.765 -3.389 1.00 0.00 H new ATOM 864 N THR A 114 0.603 -12.926 -5.029 1.00 0.00 N ATOM 865 CA THR A 114 0.916 -14.146 -4.252 1.00 0.00 C ATOM 866 C THR A 114 2.420 -14.287 -4.092 1.00 0.00 C ATOM 867 O THR A 114 3.196 -13.698 -4.817 1.00 0.00 O ATOM 868 CB THR A 114 0.364 -15.371 -4.976 1.00 0.00 C ATOM 869 OG1 THR A 114 -0.616 -14.963 -5.920 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.266 -16.306 -3.951 1.00 0.00 C ATOM 0 H THR A 114 0.830 -12.966 -6.023 1.00 0.00 H new ATOM 0 HA THR A 114 0.457 -14.068 -3.267 1.00 0.00 H new ATOM 0 HB THR A 114 1.169 -15.888 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.969 -15.750 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.664 -17.185 -4.457 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.489 -16.614 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.074 -15.788 -3.434 1.00 0.00 H new ATOM 871 N VAL A 115 2.836 -15.068 -3.143 1.00 0.00 N ATOM 872 CA VAL A 115 4.289 -15.262 -2.926 1.00 0.00 C ATOM 873 C VAL A 115 4.601 -16.751 -3.032 1.00 0.00 C ATOM 874 O VAL A 115 4.395 -17.505 -2.102 1.00 0.00 O ATOM 875 CB VAL A 115 4.677 -14.744 -1.536 1.00 0.00 C ATOM 876 CG1 VAL A 115 6.082 -14.137 -1.579 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.682 -13.670 -1.082 1.00 0.00 C ATOM 0 H VAL A 115 2.229 -15.583 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 115 4.857 -14.711 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 115 4.660 -15.578 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.351 -13.771 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.798 -14.898 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.099 -13.310 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.964 -13.307 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.693 -12.841 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.680 -14.097 -1.039 1.00 0.00 H new