USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 73 MET CE :methyl 171:sc=-0.00179 (180deg=-0.152) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 72 HIS : no HD1:sc= -0.0588 K(o=0.38,f=-2.4!) USER MOD Set 2.2: A 91 SER OG : rot 135:sc= 0.442 USER MOD Set 3.1: A 68 GLN : amide:sc= -2.73! C(o=-2.2!,f=-3.5!) USER MOD Set 3.2: A 69 GLN : amide:sc= 0.515 K(o=-2.2,f=-4.1) USER MOD Set 4.1: A 59 TYR OH : rot 15:sc= 1.78 USER MOD Set 4.2: A 63 LYS NZ :NH3+ -168:sc= 1.68 (180deg=1.01) USER MOD Single : A 23 GLN : amide:sc= 0.848 K(o=0.85,f=-3.7!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0111 F(o=-1.1!,f=-0.011) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -171:sc= -0.163 (180deg=-0.447) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.462 K(o=0.46,f=-0.7) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.0867 X(o=0.087,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.285 K(o=0.28,f=-3.2!) USER MOD Single : A 76 CYS SG : rot 36:sc= -0.0111 USER MOD Single : A 88 GLN : amide:sc= 0.746 K(o=0.75,f=-4.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0403 K(o=-0.04,f=-2.2!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 17.109 6.169 9.729 1.00 0.00 N ATOM 2 CA GLN A 23 16.726 5.428 8.524 1.00 0.00 C ATOM 3 C GLN A 23 15.245 4.993 8.541 1.00 0.00 C ATOM 4 O GLN A 23 14.634 4.835 9.603 1.00 0.00 O ATOM 5 CB GLN A 23 17.657 4.213 8.339 1.00 0.00 C ATOM 6 CG GLN A 23 19.107 4.592 7.977 1.00 0.00 C ATOM 7 CD GLN A 23 19.239 5.189 6.576 1.00 0.00 C ATOM 8 OE1 GLN A 23 19.423 6.386 6.383 1.00 0.00 O ATOM 9 NE2 GLN A 23 19.149 4.388 5.534 1.00 0.00 N ATOM 0 HA GLN A 23 16.838 6.101 7.674 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.663 3.628 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 23 17.252 3.572 7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.482 5.309 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 23 19.737 3.705 8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.996 3.389 5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.232 4.767 4.591 1.00 0.00 H new ATOM 18 N ILE A 24 14.675 4.801 7.346 1.00 0.00 N ATOM 19 CA ILE A 24 13.255 4.512 7.086 1.00 0.00 C ATOM 20 C ILE A 24 13.074 3.531 5.916 1.00 0.00 C ATOM 21 O ILE A 24 13.986 3.317 5.117 1.00 0.00 O ATOM 22 CB ILE A 24 12.467 5.819 6.815 1.00 0.00 C ATOM 23 CG1 ILE A 24 13.231 6.861 5.954 1.00 0.00 C ATOM 24 CG2 ILE A 24 11.967 6.439 8.126 1.00 0.00 C ATOM 25 CD1 ILE A 24 12.454 8.154 5.656 1.00 0.00 C ATOM 0 H ILE A 24 15.220 4.845 6.485 1.00 0.00 H new ATOM 0 HA ILE A 24 12.855 4.038 7.982 1.00 0.00 H new ATOM 0 HB ILE A 24 11.609 5.524 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 24 14.158 7.122 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.508 6.395 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.417 7.355 7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.310 5.733 8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.818 6.670 8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 24 13.071 8.817 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.540 7.912 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.200 8.650 6.593 1.00 0.00 H new ATOM 37 N ASN A 25 11.872 2.954 5.786 1.00 0.00 N ATOM 38 CA ASN A 25 11.545 1.896 4.813 1.00 0.00 C ATOM 39 C ASN A 25 11.124 2.459 3.435 1.00 0.00 C ATOM 40 O ASN A 25 10.041 2.191 2.918 1.00 0.00 O ATOM 41 CB ASN A 25 10.527 0.928 5.447 1.00 0.00 C ATOM 42 CG ASN A 25 10.876 0.522 6.874 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.161 0.824 7.820 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.998 -0.126 7.094 1.00 0.00 N ATOM 0 H ASN A 25 11.077 3.215 6.369 1.00 0.00 H new ATOM 0 HA ASN A 25 12.443 1.323 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.542 1.395 5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.458 0.032 4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.266 -0.373 8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.601 -0.382 6.312 1.00 0.00 H new ATOM 51 N GLN A 26 11.907 3.426 2.966 1.00 0.00 N ATOM 52 CA GLN A 26 11.723 4.331 1.818 1.00 0.00 C ATOM 53 C GLN A 26 13.093 4.967 1.470 1.00 0.00 C ATOM 54 O GLN A 26 14.120 4.576 2.032 1.00 0.00 O ATOM 55 CB GLN A 26 10.602 5.349 2.116 1.00 0.00 C ATOM 56 CG GLN A 26 10.642 5.992 3.514 1.00 0.00 C ATOM 57 CD GLN A 26 9.428 5.696 4.406 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.949 4.470 4.483 1.00 0.00 O flip ATOM 59 NE2 GLN A 26 8.928 6.566 5.104 1.00 0.00 N flip ATOM 0 H GLN A 26 12.793 3.623 3.432 1.00 0.00 H new ATOM 0 HA GLN A 26 11.388 3.791 0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.648 6.142 1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.641 4.850 1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.541 5.651 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.732 7.072 3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.283 7.521 5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.156 6.337 5.730 1.00 0.00 H new ATOM 68 N VAL A 27 13.139 5.933 0.545 1.00 0.00 N ATOM 69 CA VAL A 27 14.398 6.492 0.011 1.00 0.00 C ATOM 70 C VAL A 27 14.878 7.698 0.840 1.00 0.00 C ATOM 71 O VAL A 27 14.211 8.112 1.786 1.00 0.00 O ATOM 72 CB VAL A 27 14.249 6.877 -1.491 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.590 5.702 -2.396 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.859 7.373 -1.916 1.00 0.00 C ATOM 0 H VAL A 27 12.303 6.354 0.141 1.00 0.00 H new ATOM 0 HA VAL A 27 15.157 5.714 0.088 1.00 0.00 H new ATOM 0 HB VAL A 27 14.947 7.707 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.477 6.001 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.619 5.392 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.918 4.871 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.868 7.613 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.121 6.594 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.601 8.265 -1.345 1.00 0.00 H new ATOM 84 N ARG A 28 16.098 8.170 0.533 1.00 0.00 N ATOM 85 CA ARG A 28 16.795 9.406 0.938 1.00 0.00 C ATOM 86 C ARG A 28 17.890 9.672 -0.130 1.00 0.00 C ATOM 87 O ARG A 28 18.517 8.707 -0.574 1.00 0.00 O ATOM 88 CB ARG A 28 17.411 9.261 2.354 1.00 0.00 C ATOM 89 CG ARG A 28 18.269 10.486 2.732 1.00 0.00 C ATOM 90 CD ARG A 28 18.725 10.582 4.189 1.00 0.00 C ATOM 91 NE ARG A 28 19.483 9.395 4.640 1.00 0.00 N ATOM 92 CZ ARG A 28 20.783 9.175 4.543 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.594 9.997 3.939 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.291 8.098 5.067 1.00 0.00 N ATOM 0 H ARG A 28 16.697 7.623 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 28 16.100 10.244 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.614 9.135 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.025 8.361 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.155 10.490 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.702 11.386 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.346 11.470 4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.852 10.713 4.829 1.00 0.00 H new ATOM 0 HE ARG A 28 18.936 8.655 5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.232 10.852 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.591 9.785 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.687 7.431 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.293 7.920 4.997 1.00 0.00 H new ATOM 108 N PRO A 29 18.123 10.926 -0.569 1.00 0.00 N ATOM 109 CA PRO A 29 18.987 11.229 -1.713 1.00 0.00 C ATOM 110 C PRO A 29 20.423 11.613 -1.318 1.00 0.00 C ATOM 111 O PRO A 29 20.711 11.934 -0.162 1.00 0.00 O ATOM 112 CB PRO A 29 18.283 12.406 -2.395 1.00 0.00 C ATOM 113 CG PRO A 29 17.742 13.201 -1.211 1.00 0.00 C ATOM 114 CD PRO A 29 17.409 12.132 -0.175 1.00 0.00 C ATOM 0 HA PRO A 29 19.112 10.354 -2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.972 12.996 -2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.485 12.072 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.481 13.908 -0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.860 13.779 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.712 12.452 0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.335 11.951 -0.139 1.00 0.00 H new ATOM 122 N LYS A 30 21.314 11.634 -2.317 1.00 0.00 N ATOM 123 CA LYS A 30 22.667 12.213 -2.215 1.00 0.00 C ATOM 124 C LYS A 30 22.560 13.740 -2.368 1.00 0.00 C ATOM 125 O LYS A 30 21.573 14.230 -2.916 1.00 0.00 O ATOM 126 CB LYS A 30 23.576 11.543 -3.269 1.00 0.00 C ATOM 127 CG LYS A 30 25.075 11.750 -2.994 1.00 0.00 C ATOM 128 CD LYS A 30 25.943 11.129 -4.099 1.00 0.00 C ATOM 129 CE LYS A 30 27.439 11.400 -3.868 1.00 0.00 C ATOM 130 NZ LYS A 30 28.017 10.547 -2.791 1.00 0.00 N ATOM 0 H LYS A 30 21.115 11.243 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 30 23.122 12.023 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.362 10.475 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.335 11.943 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.288 12.816 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.334 11.305 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.770 10.054 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.645 11.534 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.983 11.225 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.578 12.450 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.026 10.770 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 27.518 10.731 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 27.910 9.545 -3.047 1.00 0.00 H new ATOM 144 N LEU A 31 23.571 14.501 -1.947 1.00 0.00 N ATOM 145 CA LEU A 31 23.568 15.978 -1.968 1.00 0.00 C ATOM 146 C LEU A 31 23.154 16.600 -3.328 1.00 0.00 C ATOM 147 O LEU A 31 22.334 17.522 -3.315 1.00 0.00 O ATOM 148 CB LEU A 31 24.939 16.509 -1.487 1.00 0.00 C ATOM 149 CG LEU A 31 25.097 16.625 0.043 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.002 15.287 0.780 1.00 0.00 C ATOM 151 CD2 LEU A 31 26.459 17.241 0.367 1.00 0.00 C ATOM 0 H LEU A 31 24.435 14.108 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 31 22.789 16.299 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.720 15.851 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.106 17.491 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 31 24.270 17.248 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.123 15.452 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.028 14.835 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.787 14.619 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.573 17.324 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 31 27.250 16.607 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.526 18.232 -0.082 1.00 0.00 H new ATOM 163 N PRO A 32 23.604 16.094 -4.502 1.00 0.00 N ATOM 164 CA PRO A 32 23.158 16.613 -5.802 1.00 0.00 C ATOM 165 C PRO A 32 21.688 16.317 -6.128 1.00 0.00 C ATOM 166 O PRO A 32 21.045 17.101 -6.822 1.00 0.00 O ATOM 167 CB PRO A 32 24.088 15.985 -6.847 1.00 0.00 C ATOM 168 CG PRO A 32 25.332 15.613 -6.046 1.00 0.00 C ATOM 169 CD PRO A 32 24.731 15.193 -4.709 1.00 0.00 C ATOM 0 HA PRO A 32 23.213 17.702 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.635 15.110 -7.312 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.322 16.686 -7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 32 25.892 14.804 -6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 32 26.016 16.455 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.406 14.153 -4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.460 15.281 -3.903 1.00 0.00 H new ATOM 177 N LEU A 33 21.134 15.211 -5.615 1.00 0.00 N ATOM 178 CA LEU A 33 19.736 14.812 -5.840 1.00 0.00 C ATOM 179 C LEU A 33 18.773 15.507 -4.867 1.00 0.00 C ATOM 180 O LEU A 33 17.650 15.841 -5.246 1.00 0.00 O ATOM 181 CB LEU A 33 19.614 13.275 -5.787 1.00 0.00 C ATOM 182 CG LEU A 33 19.948 12.563 -7.111 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.411 12.703 -7.534 1.00 0.00 C ATOM 184 CD2 LEU A 33 19.635 11.072 -6.986 1.00 0.00 C ATOM 0 H LEU A 33 21.650 14.559 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 33 19.440 15.142 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.277 12.897 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.597 13.014 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 33 19.335 13.046 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.570 12.176 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.653 13.758 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 22.055 12.275 -6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.872 10.571 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.233 10.641 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.577 10.940 -6.762 1.00 0.00 H new ATOM 196 N LEU A 34 19.227 15.812 -3.644 1.00 0.00 N ATOM 197 CA LEU A 34 18.465 16.587 -2.656 1.00 0.00 C ATOM 198 C LEU A 34 18.091 17.966 -3.208 1.00 0.00 C ATOM 199 O LEU A 34 16.941 18.375 -3.066 1.00 0.00 O ATOM 200 CB LEU A 34 19.296 16.665 -1.348 1.00 0.00 C ATOM 201 CG LEU A 34 18.595 17.246 -0.091 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.220 16.658 1.175 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.743 18.768 -0.007 1.00 0.00 C ATOM 0 H LEU A 34 20.146 15.523 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 34 17.519 16.093 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.640 15.659 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.183 17.266 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 34 17.539 16.987 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.722 17.071 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.104 15.574 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.280 16.909 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.238 19.134 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.800 19.029 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.296 19.226 -0.889 1.00 0.00 H new ATOM 215 N LYS A 35 19.018 18.661 -3.885 1.00 0.00 N ATOM 216 CA LYS A 35 18.776 20.033 -4.377 1.00 0.00 C ATOM 217 C LYS A 35 17.825 20.132 -5.575 1.00 0.00 C ATOM 218 O LYS A 35 17.117 21.128 -5.709 1.00 0.00 O ATOM 219 CB LYS A 35 20.059 20.839 -4.479 1.00 0.00 C ATOM 220 CG LYS A 35 21.138 20.316 -5.427 1.00 0.00 C ATOM 221 CD LYS A 35 22.421 20.988 -4.936 1.00 0.00 C ATOM 222 CE LYS A 35 23.654 20.765 -5.825 1.00 0.00 C ATOM 223 NZ LYS A 35 23.581 21.524 -7.106 1.00 0.00 N ATOM 0 H LYS A 35 19.945 18.298 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 35 18.194 20.533 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.799 21.851 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.492 20.912 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.215 19.230 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.921 20.579 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.242 22.060 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.644 20.622 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 35 24.549 21.064 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.753 19.701 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.436 21.339 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.742 21.221 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.514 22.542 -6.903 1.00 0.00 H new ATOM 237 N ILE A 36 17.712 19.059 -6.365 1.00 0.00 N ATOM 238 CA ILE A 36 16.699 18.920 -7.431 1.00 0.00 C ATOM 239 C ILE A 36 15.300 18.939 -6.811 1.00 0.00 C ATOM 240 O ILE A 36 14.476 19.773 -7.175 1.00 0.00 O ATOM 241 CB ILE A 36 16.931 17.636 -8.263 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.329 17.677 -8.912 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.854 17.463 -9.353 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.755 16.335 -9.512 1.00 0.00 C ATOM 0 H ILE A 36 18.327 18.249 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 36 16.790 19.762 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 36 16.864 16.784 -7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.337 18.436 -9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.061 17.982 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 36 16.050 16.551 -9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.871 17.397 -8.886 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.878 18.319 -10.028 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.747 16.432 -9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.778 15.577 -8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 36 18.043 16.039 -10.283 1.00 0.00 H new ATOM 256 N LEU A 37 15.044 18.098 -5.804 1.00 0.00 N ATOM 257 CA LEU A 37 13.765 18.134 -5.090 1.00 0.00 C ATOM 258 C LEU A 37 13.585 19.427 -4.268 1.00 0.00 C ATOM 259 O LEU A 37 12.469 19.933 -4.150 1.00 0.00 O ATOM 260 CB LEU A 37 13.574 16.835 -4.270 1.00 0.00 C ATOM 261 CG LEU A 37 12.754 15.709 -4.946 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.469 16.200 -5.611 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.535 14.924 -5.994 1.00 0.00 C ATOM 0 H LEU A 37 15.698 17.391 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 37 12.959 18.167 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.559 16.439 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.089 17.093 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 37 12.509 15.057 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.948 15.356 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.827 16.665 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.714 16.930 -6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.895 14.153 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.867 15.600 -6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.402 14.457 -5.527 1.00 0.00 H new ATOM 275 N HIS A 38 14.665 20.030 -3.759 1.00 0.00 N ATOM 276 CA HIS A 38 14.611 21.311 -3.037 1.00 0.00 C ATOM 277 C HIS A 38 14.214 22.496 -3.928 1.00 0.00 C ATOM 278 O HIS A 38 13.514 23.396 -3.461 1.00 0.00 O ATOM 279 CB HIS A 38 15.940 21.572 -2.309 1.00 0.00 C ATOM 280 CG HIS A 38 15.737 22.080 -0.908 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.193 23.292 -0.382 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.061 21.396 0.058 1.00 0.00 C ATOM 283 CE1 HIS A 38 15.770 23.312 0.896 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.087 22.189 1.185 1.00 0.00 N ATOM 0 H HIS A 38 15.606 19.644 -3.835 1.00 0.00 H new ATOM 0 HA HIS A 38 13.816 21.223 -2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.521 20.650 -2.278 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.524 22.298 -2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.597 20.426 -0.040 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.953 24.117 1.592 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.661 21.963 2.084 1.00 0.00 H new ATOM 292 N ALA A 39 14.541 22.457 -5.228 1.00 0.00 N ATOM 293 CA ALA A 39 14.033 23.420 -6.215 1.00 0.00 C ATOM 294 C ALA A 39 12.489 23.423 -6.321 1.00 0.00 C ATOM 295 O ALA A 39 11.899 24.418 -6.748 1.00 0.00 O ATOM 296 CB ALA A 39 14.665 23.126 -7.583 1.00 0.00 C ATOM 0 H ALA A 39 15.166 21.756 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 39 14.316 24.416 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.290 23.839 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.749 23.216 -7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.405 22.114 -7.894 1.00 0.00 H new ATOM 302 N ALA A 40 11.838 22.332 -5.894 1.00 0.00 N ATOM 303 CA ALA A 40 10.386 22.177 -5.793 1.00 0.00 C ATOM 304 C ALA A 40 9.854 22.239 -4.342 1.00 0.00 C ATOM 305 O ALA A 40 8.769 21.725 -4.057 1.00 0.00 O ATOM 306 CB ALA A 40 10.001 20.893 -6.531 1.00 0.00 C ATOM 0 H ALA A 40 12.337 21.494 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 40 9.899 23.029 -6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.922 20.750 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.301 20.970 -7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.505 20.043 -6.070 1.00 0.00 H new ATOM 312 N GLY A 41 10.606 22.844 -3.412 1.00 0.00 N ATOM 313 CA GLY A 41 10.161 23.116 -2.035 1.00 0.00 C ATOM 314 C GLY A 41 10.079 21.892 -1.110 1.00 0.00 C ATOM 315 O GLY A 41 9.408 21.951 -0.077 1.00 0.00 O ATOM 0 H GLY A 41 11.557 23.164 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.842 23.841 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.178 23.585 -2.076 1.00 0.00 H new ATOM 319 N ALA A 42 10.724 20.780 -1.482 1.00 0.00 N ATOM 320 CA ALA A 42 10.718 19.521 -0.737 1.00 0.00 C ATOM 321 C ALA A 42 11.748 19.507 0.427 1.00 0.00 C ATOM 322 O ALA A 42 12.190 20.550 0.912 1.00 0.00 O ATOM 323 CB ALA A 42 11.042 18.427 -1.762 1.00 0.00 C ATOM 0 H ALA A 42 11.280 20.733 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 42 9.748 19.368 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.053 17.456 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.284 18.426 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.020 18.620 -2.204 1.00 0.00 H new ATOM 329 N GLN A 43 12.173 18.305 0.841 1.00 0.00 N ATOM 330 CA GLN A 43 13.309 18.037 1.747 1.00 0.00 C ATOM 331 C GLN A 43 14.065 16.786 1.271 1.00 0.00 C ATOM 332 O GLN A 43 14.147 15.753 1.935 1.00 0.00 O ATOM 333 CB GLN A 43 12.867 18.042 3.224 1.00 0.00 C ATOM 334 CG GLN A 43 11.735 17.072 3.605 1.00 0.00 C ATOM 335 CD GLN A 43 11.324 17.239 5.068 1.00 0.00 C ATOM 336 OE1 GLN A 43 11.765 16.519 5.956 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.479 18.199 5.387 1.00 0.00 N ATOM 0 H GLN A 43 11.713 17.446 0.540 1.00 0.00 H new ATOM 0 HA GLN A 43 14.036 18.848 1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.736 17.812 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.552 19.053 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.873 17.246 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.060 16.046 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.102 18.808 4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.203 18.333 6.360 1.00 0.00 H new ATOM 346 N GLY A 44 14.570 16.884 0.037 1.00 0.00 N ATOM 347 CA GLY A 44 15.186 15.793 -0.702 1.00 0.00 C ATOM 348 C GLY A 44 14.177 14.738 -1.137 1.00 0.00 C ATOM 349 O GLY A 44 13.186 15.046 -1.777 1.00 0.00 O ATOM 0 H GLY A 44 14.557 17.759 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.690 16.194 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.951 15.325 -0.082 1.00 0.00 H new ATOM 353 N GLU A 45 14.465 13.485 -0.802 1.00 0.00 N ATOM 354 CA GLU A 45 13.679 12.285 -1.128 1.00 0.00 C ATOM 355 C GLU A 45 13.553 11.364 0.093 1.00 0.00 C ATOM 356 O GLU A 45 13.343 10.169 -0.052 1.00 0.00 O ATOM 357 CB GLU A 45 14.270 11.546 -2.346 1.00 0.00 C ATOM 358 CG GLU A 45 14.254 12.384 -3.626 1.00 0.00 C ATOM 359 CD GLU A 45 14.627 11.513 -4.841 1.00 0.00 C ATOM 360 OE1 GLU A 45 15.837 11.387 -5.150 1.00 0.00 O ATOM 361 OE2 GLU A 45 13.710 10.943 -5.480 1.00 0.00 O ATOM 0 H GLU A 45 15.301 13.259 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 45 12.673 12.602 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.296 11.255 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.707 10.628 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.265 12.819 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.956 13.213 -3.535 1.00 0.00 H new ATOM 368 N MET A 46 13.757 11.904 1.302 1.00 0.00 N ATOM 369 CA MET A 46 13.782 11.172 2.583 1.00 0.00 C ATOM 370 C MET A 46 12.376 10.780 3.079 1.00 0.00 C ATOM 371 O MET A 46 11.935 11.155 4.167 1.00 0.00 O ATOM 372 CB MET A 46 14.639 11.963 3.565 1.00 0.00 C ATOM 373 CG MET A 46 14.916 11.274 4.910 1.00 0.00 C ATOM 374 SD MET A 46 15.927 12.269 6.040 1.00 0.00 S ATOM 375 CE MET A 46 15.995 11.135 7.455 1.00 0.00 C ATOM 0 H MET A 46 13.916 12.904 1.423 1.00 0.00 H new ATOM 0 HA MET A 46 14.252 10.197 2.458 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.593 12.186 3.088 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.149 12.917 3.760 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.966 11.043 5.393 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.419 10.325 4.726 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.583 11.586 8.255 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.984 10.940 7.814 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.459 10.198 7.148 1.00 0.00 H new ATOM 385 N PHE A 47 11.642 10.083 2.211 1.00 0.00 N ATOM 386 CA PHE A 47 10.218 9.745 2.350 1.00 0.00 C ATOM 387 C PHE A 47 9.729 8.787 1.239 1.00 0.00 C ATOM 388 O PHE A 47 10.459 8.459 0.305 1.00 0.00 O ATOM 389 CB PHE A 47 9.392 11.043 2.405 1.00 0.00 C ATOM 390 CG PHE A 47 9.844 12.141 1.459 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.750 11.950 0.070 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.402 13.332 1.963 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.150 12.970 -0.803 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.830 14.338 1.081 1.00 0.00 C ATOM 395 CZ PHE A 47 10.676 14.166 -0.300 1.00 0.00 C ATOM 0 H PHE A 47 12.042 9.718 1.346 1.00 0.00 H new ATOM 0 HA PHE A 47 10.079 9.200 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.352 10.802 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.421 11.429 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.370 11.019 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.501 13.472 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.052 12.833 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.277 15.242 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.963 14.956 -0.978 1.00 0.00 H new ATOM 405 N THR A 48 8.495 8.294 1.367 1.00 0.00 N ATOM 406 CA THR A 48 7.871 7.235 0.538 1.00 0.00 C ATOM 407 C THR A 48 7.609 7.652 -0.922 1.00 0.00 C ATOM 408 O THR A 48 7.620 8.834 -1.274 1.00 0.00 O ATOM 409 CB THR A 48 6.558 6.750 1.213 1.00 0.00 C ATOM 410 OG1 THR A 48 6.617 6.938 2.613 1.00 0.00 O ATOM 411 CG2 THR A 48 6.276 5.258 1.009 1.00 0.00 C ATOM 0 H THR A 48 7.861 8.635 2.089 1.00 0.00 H new ATOM 0 HA THR A 48 8.592 6.419 0.482 1.00 0.00 H new ATOM 0 HB THR A 48 5.773 7.341 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.781 6.628 3.020 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.344 4.992 1.508 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.190 5.046 -0.057 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.093 4.672 1.431 1.00 0.00 H new ATOM 419 N VAL A 49 7.301 6.662 -1.773 1.00 0.00 N ATOM 420 CA VAL A 49 7.017 6.802 -3.224 1.00 0.00 C ATOM 421 C VAL A 49 5.992 7.906 -3.509 1.00 0.00 C ATOM 422 O VAL A 49 6.202 8.775 -4.359 1.00 0.00 O ATOM 423 CB VAL A 49 6.511 5.459 -3.805 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.203 5.560 -5.304 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.537 4.339 -3.574 1.00 0.00 C ATOM 0 H VAL A 49 7.238 5.693 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 49 7.952 7.083 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 49 5.587 5.221 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.851 4.595 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.432 6.313 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.107 5.844 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.158 3.406 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.476 4.599 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.706 4.216 -2.504 1.00 0.00 H new ATOM 435 N LYS A 50 4.907 7.913 -2.730 1.00 0.00 N ATOM 436 CA LYS A 50 3.817 8.891 -2.867 1.00 0.00 C ATOM 437 C LYS A 50 4.241 10.327 -2.556 1.00 0.00 C ATOM 438 O LYS A 50 3.716 11.260 -3.158 1.00 0.00 O ATOM 439 CB LYS A 50 2.585 8.445 -2.057 1.00 0.00 C ATOM 440 CG LYS A 50 2.856 8.304 -0.549 1.00 0.00 C ATOM 441 CD LYS A 50 1.600 7.880 0.222 1.00 0.00 C ATOM 442 CE LYS A 50 1.957 7.657 1.698 1.00 0.00 C ATOM 443 NZ LYS A 50 0.753 7.331 2.512 1.00 0.00 N ATOM 0 H LYS A 50 4.756 7.237 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 50 3.537 8.911 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.782 9.166 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.232 7.489 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.645 7.569 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.220 9.253 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.830 8.647 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.189 6.966 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.681 6.847 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.434 8.552 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.033 7.187 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.072 8.115 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.312 6.463 2.147 1.00 0.00 H new ATOM 457 N GLU A 51 5.218 10.504 -1.668 1.00 0.00 N ATOM 458 CA GLU A 51 5.779 11.815 -1.349 1.00 0.00 C ATOM 459 C GLU A 51 6.791 12.259 -2.416 1.00 0.00 C ATOM 460 O GLU A 51 6.646 13.366 -2.927 1.00 0.00 O ATOM 461 CB GLU A 51 6.376 11.809 0.067 1.00 0.00 C ATOM 462 CG GLU A 51 5.366 11.499 1.183 1.00 0.00 C ATOM 463 CD GLU A 51 4.222 12.531 1.249 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.400 13.602 1.877 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.127 12.269 0.695 1.00 0.00 O ATOM 0 H GLU A 51 5.645 9.738 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 51 4.978 12.554 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.179 11.073 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.826 12.782 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.946 10.506 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.885 11.475 2.141 1.00 0.00 H new ATOM 472 N VAL A 52 7.739 11.407 -2.856 1.00 0.00 N ATOM 473 CA VAL A 52 8.663 11.786 -3.962 1.00 0.00 C ATOM 474 C VAL A 52 7.918 12.206 -5.219 1.00 0.00 C ATOM 475 O VAL A 52 8.215 13.255 -5.786 1.00 0.00 O ATOM 476 CB VAL A 52 9.698 10.715 -4.330 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.737 10.498 -3.227 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.175 9.332 -4.687 1.00 0.00 C ATOM 0 H VAL A 52 7.889 10.472 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 52 9.210 12.636 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 52 10.121 11.154 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.445 9.730 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.271 11.430 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.236 10.179 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.013 8.677 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.623 8.922 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.514 9.405 -5.551 1.00 0.00 H new ATOM 488 N MET A 53 6.918 11.428 -5.623 1.00 0.00 N ATOM 489 CA MET A 53 6.141 11.721 -6.835 1.00 0.00 C ATOM 490 C MET A 53 5.244 12.968 -6.694 1.00 0.00 C ATOM 491 O MET A 53 5.005 13.656 -7.683 1.00 0.00 O ATOM 492 CB MET A 53 5.375 10.477 -7.306 1.00 0.00 C ATOM 493 CG MET A 53 4.097 10.199 -6.512 1.00 0.00 C ATOM 494 SD MET A 53 3.267 8.647 -6.945 1.00 0.00 S ATOM 495 CE MET A 53 2.778 9.019 -8.652 1.00 0.00 C ATOM 0 H MET A 53 6.622 10.585 -5.130 1.00 0.00 H new ATOM 0 HA MET A 53 6.851 11.980 -7.620 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.118 10.597 -8.359 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.031 9.610 -7.235 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.341 10.182 -5.450 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.401 11.024 -6.667 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.117 8.235 -9.020 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.257 9.976 -8.681 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.666 9.070 -9.282 1.00 0.00 H new ATOM 505 N HIS A 54 4.809 13.308 -5.474 1.00 0.00 N ATOM 506 CA HIS A 54 4.105 14.561 -5.158 1.00 0.00 C ATOM 507 C HIS A 54 5.005 15.778 -5.438 1.00 0.00 C ATOM 508 O HIS A 54 4.680 16.607 -6.294 1.00 0.00 O ATOM 509 CB HIS A 54 3.600 14.504 -3.700 1.00 0.00 C ATOM 510 CG HIS A 54 3.571 15.836 -2.996 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.818 16.947 -3.383 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.407 16.194 -1.979 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.229 17.952 -2.590 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.171 17.526 -1.731 1.00 0.00 N ATOM 0 H HIS A 54 4.939 12.707 -4.660 1.00 0.00 H new ATOM 0 HA HIS A 54 3.235 14.677 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.595 14.082 -3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.236 13.822 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.115 15.557 -1.469 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.853 18.964 -2.637 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.631 18.093 -1.019 1.00 0.00 H new ATOM 522 N TYR A 55 6.178 15.846 -4.796 1.00 0.00 N ATOM 523 CA TYR A 55 7.183 16.872 -5.070 1.00 0.00 C ATOM 524 C TYR A 55 7.654 16.881 -6.542 1.00 0.00 C ATOM 525 O TYR A 55 7.919 17.954 -7.081 1.00 0.00 O ATOM 526 CB TYR A 55 8.375 16.721 -4.120 1.00 0.00 C ATOM 527 CG TYR A 55 8.058 16.775 -2.638 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.670 17.988 -2.040 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.207 15.628 -1.842 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.384 18.051 -0.663 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.911 15.679 -0.465 1.00 0.00 C ATOM 532 CZ TYR A 55 7.500 16.889 0.131 1.00 0.00 C ATOM 533 OH TYR A 55 7.241 16.935 1.468 1.00 0.00 O ATOM 0 H TYR A 55 6.455 15.186 -4.069 1.00 0.00 H new ATOM 0 HA TYR A 55 6.703 17.835 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.864 15.770 -4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.095 17.507 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.591 18.880 -2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.549 14.705 -2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.077 18.985 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.999 14.787 0.137 1.00 0.00 H new ATOM 0 HH TYR A 55 7.370 16.045 1.857 1.00 0.00 H new ATOM 543 N LEU A 56 7.704 15.729 -7.228 1.00 0.00 N ATOM 544 CA LEU A 56 8.031 15.658 -8.663 1.00 0.00 C ATOM 545 C LEU A 56 6.940 16.276 -9.555 1.00 0.00 C ATOM 546 O LEU A 56 7.268 17.014 -10.481 1.00 0.00 O ATOM 547 CB LEU A 56 8.330 14.202 -9.085 1.00 0.00 C ATOM 548 CG LEU A 56 9.670 14.034 -9.823 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.859 14.256 -8.883 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.765 12.611 -10.375 1.00 0.00 C ATOM 0 H LEU A 56 7.519 14.820 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 56 8.929 16.258 -8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.332 13.569 -8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.524 13.847 -9.728 1.00 0.00 H new ATOM 0 HG LEU A 56 9.705 14.773 -10.623 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.789 14.130 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.815 15.265 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.820 13.532 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.713 12.487 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.708 11.897 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.942 12.433 -11.067 1.00 0.00 H new ATOM 562 N GLY A 57 5.657 16.045 -9.262 1.00 0.00 N ATOM 563 CA GLY A 57 4.542 16.674 -9.982 1.00 0.00 C ATOM 564 C GLY A 57 4.615 18.206 -9.934 1.00 0.00 C ATOM 565 O GLY A 57 4.584 18.873 -10.972 1.00 0.00 O ATOM 0 H GLY A 57 5.360 15.415 -8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.549 16.344 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.598 16.343 -9.549 1.00 0.00 H new ATOM 569 N GLN A 58 4.844 18.774 -8.742 1.00 0.00 N ATOM 570 CA GLN A 58 5.041 20.222 -8.598 1.00 0.00 C ATOM 571 C GLN A 58 6.385 20.710 -9.177 1.00 0.00 C ATOM 572 O GLN A 58 6.417 21.802 -9.735 1.00 0.00 O ATOM 573 CB GLN A 58 4.713 20.708 -7.174 1.00 0.00 C ATOM 574 CG GLN A 58 5.733 20.315 -6.098 1.00 0.00 C ATOM 575 CD GLN A 58 5.255 20.558 -4.662 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.073 20.666 -4.360 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.155 20.625 -3.702 1.00 0.00 N ATOM 0 H GLN A 58 4.897 18.254 -7.866 1.00 0.00 H new ATOM 0 HA GLN A 58 4.306 20.719 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.626 21.794 -7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.738 20.314 -6.889 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.978 19.259 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.653 20.876 -6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.146 20.538 -3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.860 20.764 -2.735 1.00 0.00 H new ATOM 586 N TYR A 59 7.466 19.912 -9.155 1.00 0.00 N ATOM 587 CA TYR A 59 8.712 20.229 -9.885 1.00 0.00 C ATOM 588 C TYR A 59 8.437 20.432 -11.380 1.00 0.00 C ATOM 589 O TYR A 59 8.784 21.475 -11.929 1.00 0.00 O ATOM 590 CB TYR A 59 9.774 19.126 -9.687 1.00 0.00 C ATOM 591 CG TYR A 59 11.121 19.402 -10.343 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.305 19.164 -11.723 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.207 19.858 -9.571 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.567 19.360 -12.321 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.462 20.068 -10.171 1.00 0.00 C ATOM 596 CZ TYR A 59 13.653 19.795 -11.536 1.00 0.00 C ATOM 597 OH TYR A 59 14.889 19.969 -12.072 1.00 0.00 O ATOM 0 H TYR A 59 7.504 19.035 -8.636 1.00 0.00 H new ATOM 0 HA TYR A 59 9.102 21.159 -9.473 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.931 18.981 -8.618 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.380 18.189 -10.081 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.473 18.829 -12.325 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.076 20.047 -8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.701 19.177 -13.377 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.284 20.442 -9.578 1.00 0.00 H new ATOM 0 HH TYR A 59 14.822 19.984 -13.050 1.00 0.00 H new ATOM 607 N ILE A 60 7.759 19.476 -12.027 1.00 0.00 N ATOM 608 CA ILE A 60 7.390 19.546 -13.453 1.00 0.00 C ATOM 609 C ILE A 60 6.490 20.761 -13.710 1.00 0.00 C ATOM 610 O ILE A 60 6.690 21.473 -14.691 1.00 0.00 O ATOM 611 CB ILE A 60 6.683 18.242 -13.886 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.581 16.995 -13.723 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.210 18.327 -15.351 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.737 15.729 -13.533 1.00 0.00 C ATOM 0 H ILE A 60 7.445 18.619 -11.572 1.00 0.00 H new ATOM 0 HA ILE A 60 8.297 19.659 -14.046 1.00 0.00 H new ATOM 0 HB ILE A 60 5.824 18.134 -13.224 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.217 16.884 -14.601 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.241 17.128 -12.866 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.716 17.396 -15.629 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.510 19.155 -15.460 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.069 18.490 -16.002 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.394 14.867 -13.421 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.120 15.834 -12.640 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.096 15.585 -14.403 1.00 0.00 H new ATOM 626 N MET A 61 5.531 21.038 -12.822 1.00 0.00 N ATOM 627 CA MET A 61 4.629 22.188 -12.953 1.00 0.00 C ATOM 628 C MET A 61 5.345 23.548 -12.782 1.00 0.00 C ATOM 629 O MET A 61 4.994 24.513 -13.461 1.00 0.00 O ATOM 630 CB MET A 61 3.458 21.992 -11.978 1.00 0.00 C ATOM 631 CG MET A 61 2.324 23.014 -12.145 1.00 0.00 C ATOM 632 SD MET A 61 1.652 23.248 -13.821 1.00 0.00 S ATOM 633 CE MET A 61 1.072 21.578 -14.230 1.00 0.00 C ATOM 0 H MET A 61 5.357 20.472 -11.992 1.00 0.00 H new ATOM 0 HA MET A 61 4.244 22.227 -13.972 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.052 20.990 -12.112 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.836 22.049 -10.957 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.504 22.718 -11.491 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.684 23.979 -11.788 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.638 21.578 -15.230 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.912 20.884 -14.199 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.318 21.267 -13.507 1.00 0.00 H new ATOM 643 N VAL A 62 6.397 23.625 -11.955 1.00 0.00 N ATOM 644 CA VAL A 62 7.271 24.813 -11.823 1.00 0.00 C ATOM 645 C VAL A 62 8.184 24.973 -13.045 1.00 0.00 C ATOM 646 O VAL A 62 8.199 26.041 -13.664 1.00 0.00 O ATOM 647 CB VAL A 62 8.067 24.770 -10.507 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.185 25.818 -10.422 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.137 25.003 -9.311 1.00 0.00 C ATOM 0 H VAL A 62 6.674 22.855 -11.347 1.00 0.00 H new ATOM 0 HA VAL A 62 6.635 25.697 -11.786 1.00 0.00 H new ATOM 0 HB VAL A 62 8.521 23.779 -10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.700 25.724 -9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.895 25.659 -11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.755 26.816 -10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.716 24.969 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.661 25.979 -9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.372 24.227 -9.288 1.00 0.00 H new ATOM 659 N LYS A 63 8.891 23.902 -13.444 1.00 0.00 N ATOM 660 CA LYS A 63 9.735 23.874 -14.661 1.00 0.00 C ATOM 661 C LYS A 63 8.924 23.996 -15.961 1.00 0.00 C ATOM 662 O LYS A 63 9.499 24.323 -16.999 1.00 0.00 O ATOM 663 CB LYS A 63 10.602 22.589 -14.684 1.00 0.00 C ATOM 664 CG LYS A 63 12.095 22.845 -14.424 1.00 0.00 C ATOM 665 CD LYS A 63 12.406 23.279 -12.982 1.00 0.00 C ATOM 666 CE LYS A 63 13.854 23.779 -12.832 1.00 0.00 C ATOM 667 NZ LYS A 63 14.875 22.710 -13.020 1.00 0.00 N ATOM 0 H LYS A 63 8.896 23.021 -12.929 1.00 0.00 H new ATOM 0 HA LYS A 63 10.381 24.751 -14.614 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.226 21.894 -13.933 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.489 22.103 -15.653 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.655 21.937 -14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.447 23.615 -15.110 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.717 24.069 -12.684 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.240 22.440 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.033 24.573 -13.557 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.978 24.218 -11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.804 23.059 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.612 21.876 -12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.922 22.448 -14.025 1.00 0.00 H new ATOM 681 N GLN A 64 7.604 23.781 -15.890 1.00 0.00 N ATOM 682 CA GLN A 64 6.599 23.899 -16.958 1.00 0.00 C ATOM 683 C GLN A 64 7.049 23.292 -18.299 1.00 0.00 C ATOM 684 O GLN A 64 6.866 23.868 -19.373 1.00 0.00 O ATOM 685 CB GLN A 64 5.989 25.312 -16.997 1.00 0.00 C ATOM 686 CG GLN A 64 6.970 26.461 -17.288 1.00 0.00 C ATOM 687 CD GLN A 64 6.413 27.802 -16.820 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.815 28.564 -17.571 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.582 28.139 -15.555 1.00 0.00 N ATOM 0 H GLN A 64 7.174 23.496 -15.010 1.00 0.00 H new ATOM 0 HA GLN A 64 5.756 23.254 -16.710 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.206 25.328 -17.755 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.508 25.505 -16.038 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.919 26.266 -16.789 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.175 26.504 -18.358 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.078 27.512 -14.922 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.216 29.027 -15.210 1.00 0.00 H new ATOM 698 N LEU A 65 7.667 22.107 -18.202 1.00 0.00 N ATOM 699 CA LEU A 65 8.377 21.423 -19.291 1.00 0.00 C ATOM 700 C LEU A 65 7.526 20.316 -19.955 1.00 0.00 C ATOM 701 O LEU A 65 8.039 19.404 -20.596 1.00 0.00 O ATOM 702 CB LEU A 65 9.749 20.975 -18.738 1.00 0.00 C ATOM 703 CG LEU A 65 10.853 20.657 -19.768 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.091 21.785 -20.775 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.169 20.430 -19.019 1.00 0.00 C ATOM 0 H LEU A 65 7.687 21.579 -17.330 1.00 0.00 H new ATOM 0 HA LEU A 65 8.559 22.098 -20.127 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.119 21.758 -18.077 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.593 20.088 -18.125 1.00 0.00 H new ATOM 0 HG LEU A 65 10.522 19.778 -20.320 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.880 21.493 -21.468 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.173 21.977 -21.330 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.390 22.689 -20.245 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.960 20.204 -19.734 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.430 21.329 -18.461 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.055 19.595 -18.328 1.00 0.00 H new ATOM 717 N TYR A 66 6.207 20.386 -19.787 1.00 0.00 N ATOM 718 CA TYR A 66 5.216 19.571 -20.494 1.00 0.00 C ATOM 719 C TYR A 66 4.861 20.165 -21.872 1.00 0.00 C ATOM 720 O TYR A 66 5.174 21.324 -22.163 1.00 0.00 O ATOM 721 CB TYR A 66 3.982 19.407 -19.595 1.00 0.00 C ATOM 722 CG TYR A 66 3.474 20.711 -19.006 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.767 21.622 -19.810 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.778 21.043 -17.672 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.359 22.865 -19.290 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.353 22.275 -17.139 1.00 0.00 C ATOM 727 CZ TYR A 66 2.647 23.193 -17.947 1.00 0.00 C ATOM 728 OH TYR A 66 2.267 24.395 -17.431 1.00 0.00 O ATOM 0 H TYR A 66 5.780 21.038 -19.129 1.00 0.00 H new ATOM 0 HA TYR A 66 5.637 18.587 -20.700 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.182 18.944 -20.173 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.225 18.722 -18.782 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.535 21.367 -20.833 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.337 20.353 -17.058 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.827 23.566 -19.916 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.568 22.519 -16.109 1.00 0.00 H new ATOM 0 HH TYR A 66 2.546 24.451 -16.493 1.00 0.00 H new ATOM 738 N ASP A 67 4.203 19.385 -22.735 1.00 0.00 N ATOM 739 CA ASP A 67 3.782 19.867 -24.057 1.00 0.00 C ATOM 740 C ASP A 67 2.603 20.860 -23.990 1.00 0.00 C ATOM 741 O ASP A 67 1.726 20.780 -23.128 1.00 0.00 O ATOM 742 CB ASP A 67 3.470 18.703 -25.000 1.00 0.00 C ATOM 743 CG ASP A 67 3.369 19.210 -26.442 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.423 19.442 -27.082 1.00 0.00 O ATOM 745 OD2 ASP A 67 2.232 19.463 -26.894 1.00 0.00 O ATOM 0 H ASP A 67 3.949 18.416 -22.543 1.00 0.00 H new ATOM 0 HA ASP A 67 4.629 20.420 -24.464 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.250 17.945 -24.926 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.534 18.227 -24.707 1.00 0.00 H new ATOM 750 N GLN A 68 2.575 21.796 -24.938 1.00 0.00 N ATOM 751 CA GLN A 68 1.602 22.889 -25.037 1.00 0.00 C ATOM 752 C GLN A 68 0.201 22.364 -25.410 1.00 0.00 C ATOM 753 O GLN A 68 -0.809 22.856 -24.901 1.00 0.00 O ATOM 754 CB GLN A 68 2.030 23.936 -26.099 1.00 0.00 C ATOM 755 CG GLN A 68 3.524 24.275 -26.295 1.00 0.00 C ATOM 756 CD GLN A 68 4.401 23.088 -26.712 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.456 22.837 -26.147 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.961 22.234 -27.614 1.00 0.00 N ATOM 0 H GLN A 68 3.260 21.816 -25.693 1.00 0.00 H new ATOM 0 HA GLN A 68 1.567 23.359 -24.054 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.646 23.596 -27.061 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.515 24.867 -25.861 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.609 25.056 -27.051 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.914 24.688 -25.365 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.084 22.415 -28.103 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.497 21.392 -27.823 1.00 0.00 H new ATOM 767 N GLN A 69 0.149 21.362 -26.298 1.00 0.00 N ATOM 768 CA GLN A 69 -1.072 20.715 -26.782 1.00 0.00 C ATOM 769 C GLN A 69 -1.466 19.498 -25.927 1.00 0.00 C ATOM 770 O GLN A 69 -2.637 19.109 -25.926 1.00 0.00 O ATOM 771 CB GLN A 69 -0.919 20.340 -28.270 1.00 0.00 C ATOM 772 CG GLN A 69 -0.962 21.546 -29.232 1.00 0.00 C ATOM 773 CD GLN A 69 0.296 22.424 -29.273 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.421 22.009 -29.023 1.00 0.00 O ATOM 775 NE2 GLN A 69 0.163 23.690 -29.614 1.00 0.00 N ATOM 0 H GLN A 69 0.992 20.966 -26.714 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.889 21.430 -26.687 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.026 19.814 -28.406 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.713 19.644 -28.542 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.154 21.175 -30.239 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.809 22.174 -28.957 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.761 24.066 -29.828 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.984 24.294 -29.664 1.00 0.00 H new ATOM 784 N GLU A 70 -0.528 18.920 -25.170 1.00 0.00 N ATOM 785 CA GLU A 70 -0.801 17.814 -24.243 1.00 0.00 C ATOM 786 C GLU A 70 0.046 17.899 -22.964 1.00 0.00 C ATOM 787 O GLU A 70 1.141 17.347 -22.860 1.00 0.00 O ATOM 788 CB GLU A 70 -0.689 16.437 -24.928 1.00 0.00 C ATOM 789 CG GLU A 70 0.320 16.340 -26.085 1.00 0.00 C ATOM 790 CD GLU A 70 0.305 14.939 -26.727 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.699 14.580 -27.393 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.309 14.193 -26.612 1.00 0.00 O ATOM 0 H GLU A 70 0.450 19.208 -25.183 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.840 17.923 -23.931 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.418 15.699 -24.173 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.673 16.160 -25.306 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.084 17.090 -26.840 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.321 16.562 -25.716 1.00 0.00 H new ATOM 799 N GLN A 71 -0.531 18.530 -21.938 1.00 0.00 N ATOM 800 CA GLN A 71 0.034 18.640 -20.588 1.00 0.00 C ATOM 801 C GLN A 71 0.318 17.266 -19.944 1.00 0.00 C ATOM 802 O GLN A 71 1.112 17.176 -19.005 1.00 0.00 O ATOM 803 CB GLN A 71 -0.937 19.445 -19.702 1.00 0.00 C ATOM 804 CG GLN A 71 -0.990 20.956 -20.014 1.00 0.00 C ATOM 805 CD GLN A 71 -1.572 21.338 -21.381 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.413 20.658 -21.959 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.152 22.447 -21.953 1.00 0.00 N ATOM 0 H GLN A 71 -1.435 18.994 -22.026 1.00 0.00 H new ATOM 0 HA GLN A 71 0.993 19.151 -20.671 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.939 19.029 -19.813 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.651 19.313 -18.659 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.580 21.447 -19.240 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.021 21.357 -19.946 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.453 23.027 -21.489 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.526 22.726 -22.860 1.00 0.00 H new ATOM 816 N HIS A 72 -0.297 16.190 -20.462 1.00 0.00 N ATOM 817 CA HIS A 72 -0.066 14.813 -20.015 1.00 0.00 C ATOM 818 C HIS A 72 1.337 14.280 -20.389 1.00 0.00 C ATOM 819 O HIS A 72 1.839 13.353 -19.745 1.00 0.00 O ATOM 820 CB HIS A 72 -1.207 13.902 -20.524 1.00 0.00 C ATOM 821 CG HIS A 72 -0.814 12.997 -21.667 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.530 13.413 -22.967 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.492 11.677 -21.549 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.024 12.341 -23.599 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.003 11.280 -22.776 1.00 0.00 N ATOM 0 H HIS A 72 -0.980 16.258 -21.216 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.080 14.806 -18.925 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.564 13.289 -19.696 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.042 14.527 -20.841 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.599 11.063 -20.667 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.317 12.333 -24.624 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.319 10.343 -23.017 1.00 0.00 H new ATOM 833 N MET A 73 1.969 14.866 -21.413 1.00 0.00 N ATOM 834 CA MET A 73 3.295 14.513 -21.923 1.00 0.00 C ATOM 835 C MET A 73 4.358 15.459 -21.344 1.00 0.00 C ATOM 836 O MET A 73 4.207 16.680 -21.412 1.00 0.00 O ATOM 837 CB MET A 73 3.275 14.561 -23.459 1.00 0.00 C ATOM 838 CG MET A 73 4.612 14.148 -24.083 1.00 0.00 C ATOM 839 SD MET A 73 5.149 12.464 -23.673 1.00 0.00 S ATOM 840 CE MET A 73 6.749 12.462 -24.520 1.00 0.00 C ATOM 0 H MET A 73 1.547 15.636 -21.932 1.00 0.00 H new ATOM 0 HA MET A 73 3.553 13.501 -21.611 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.488 13.903 -23.828 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.024 15.571 -23.783 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.535 14.237 -25.167 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.381 14.849 -23.759 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.303 11.563 -24.249 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.590 12.479 -25.598 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.319 13.343 -24.223 1.00 0.00 H new ATOM 850 N VAL A 74 5.443 14.907 -20.796 1.00 0.00 N ATOM 851 CA VAL A 74 6.475 15.637 -20.040 1.00 0.00 C ATOM 852 C VAL A 74 7.849 15.468 -20.699 1.00 0.00 C ATOM 853 O VAL A 74 8.277 14.350 -20.990 1.00 0.00 O ATOM 854 CB VAL A 74 6.519 15.163 -18.572 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.537 15.976 -17.764 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.152 15.313 -17.888 1.00 0.00 C ATOM 0 H VAL A 74 5.638 13.908 -20.866 1.00 0.00 H new ATOM 0 HA VAL A 74 6.215 16.696 -20.049 1.00 0.00 H new ATOM 0 HB VAL A 74 6.805 14.112 -18.596 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.549 15.623 -16.733 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.528 15.855 -18.201 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.259 17.030 -17.783 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.222 14.969 -16.856 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.851 16.361 -17.902 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.411 14.716 -18.420 1.00 0.00 H new ATOM 866 N TYR A 75 8.566 16.575 -20.893 1.00 0.00 N ATOM 867 CA TYR A 75 9.958 16.613 -21.347 1.00 0.00 C ATOM 868 C TYR A 75 10.920 16.965 -20.197 1.00 0.00 C ATOM 869 O TYR A 75 10.515 17.417 -19.126 1.00 0.00 O ATOM 870 CB TYR A 75 10.084 17.565 -22.545 1.00 0.00 C ATOM 871 CG TYR A 75 9.367 17.001 -23.750 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.971 15.946 -24.456 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.072 17.435 -24.092 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.275 15.303 -25.491 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.381 16.806 -25.146 1.00 0.00 C ATOM 876 CZ TYR A 75 7.978 15.737 -25.849 1.00 0.00 C ATOM 877 OH TYR A 75 7.297 15.129 -26.861 1.00 0.00 O ATOM 0 H TYR A 75 8.180 17.505 -20.732 1.00 0.00 H new ATOM 0 HA TYR A 75 10.253 15.618 -21.681 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.666 18.538 -22.289 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.136 17.723 -22.782 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.972 15.630 -24.201 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.611 18.246 -23.549 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.731 14.476 -26.015 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.391 17.143 -25.417 1.00 0.00 H new ATOM 0 HH TYR A 75 6.421 15.556 -26.969 1.00 0.00 H new ATOM 887 N CYS A 76 12.214 16.739 -20.426 1.00 0.00 N ATOM 888 CA CYS A 76 13.310 16.937 -19.470 1.00 0.00 C ATOM 889 C CYS A 76 14.627 17.354 -20.151 1.00 0.00 C ATOM 890 O CYS A 76 15.711 17.096 -19.625 1.00 0.00 O ATOM 891 CB CYS A 76 13.459 15.649 -18.647 1.00 0.00 C ATOM 892 SG CYS A 76 12.543 15.823 -17.093 1.00 0.00 S ATOM 0 H CYS A 76 12.545 16.396 -21.328 1.00 0.00 H new ATOM 0 HA CYS A 76 13.067 17.769 -18.810 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.081 14.797 -19.212 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.512 15.454 -18.442 1.00 0.00 H new ATOM 0 HG CYS A 76 11.459 16.509 -17.303 1.00 0.00 H new ATOM 898 N GLY A 77 14.552 17.955 -21.343 1.00 0.00 N ATOM 899 CA GLY A 77 15.725 18.217 -22.177 1.00 0.00 C ATOM 900 C GLY A 77 16.750 19.124 -21.486 1.00 0.00 C ATOM 901 O GLY A 77 16.474 20.295 -21.211 1.00 0.00 O ATOM 0 H GLY A 77 13.675 18.273 -21.755 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.200 17.271 -22.437 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.406 18.681 -23.110 1.00 0.00 H new ATOM 905 N GLY A 78 17.925 18.566 -21.186 1.00 0.00 N ATOM 906 CA GLY A 78 19.010 19.227 -20.459 1.00 0.00 C ATOM 907 C GLY A 78 18.739 19.512 -18.971 1.00 0.00 C ATOM 908 O GLY A 78 19.492 20.289 -18.378 1.00 0.00 O ATOM 0 H GLY A 78 18.155 17.608 -21.452 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.904 18.607 -20.535 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.234 20.171 -20.956 1.00 0.00 H new ATOM 912 N ASP A 79 17.696 18.940 -18.349 1.00 0.00 N ATOM 913 CA ASP A 79 17.347 19.201 -16.956 1.00 0.00 C ATOM 914 C ASP A 79 17.950 18.138 -16.017 1.00 0.00 C ATOM 915 O ASP A 79 18.088 16.952 -16.354 1.00 0.00 O ATOM 916 CB ASP A 79 15.821 19.335 -16.823 1.00 0.00 C ATOM 917 CG ASP A 79 15.430 19.947 -15.473 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.277 19.175 -14.503 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.327 21.191 -15.353 1.00 0.00 O ATOM 0 H ASP A 79 17.070 18.279 -18.808 1.00 0.00 H new ATOM 0 HA ASP A 79 17.786 20.148 -16.642 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.437 19.957 -17.631 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.357 18.354 -16.928 1.00 0.00 H new ATOM 924 N LEU A 80 18.275 18.564 -14.795 1.00 0.00 N ATOM 925 CA LEU A 80 18.778 17.685 -13.743 1.00 0.00 C ATOM 926 C LEU A 80 17.793 16.541 -13.428 1.00 0.00 C ATOM 927 O LEU A 80 18.221 15.461 -13.033 1.00 0.00 O ATOM 928 CB LEU A 80 19.147 18.504 -12.494 1.00 0.00 C ATOM 929 CG LEU A 80 20.511 19.224 -12.495 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.688 18.253 -12.616 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.643 20.289 -13.585 1.00 0.00 C ATOM 0 H LEU A 80 18.195 19.539 -14.507 1.00 0.00 H new ATOM 0 HA LEU A 80 19.687 17.205 -14.105 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.371 19.254 -12.341 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.119 17.836 -11.633 1.00 0.00 H new ATOM 0 HG LEU A 80 20.547 19.720 -11.525 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.623 18.813 -12.612 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.676 17.560 -11.775 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.604 17.694 -13.548 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.628 20.752 -13.524 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.520 19.825 -14.564 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.875 21.050 -13.445 1.00 0.00 H new ATOM 943 N LEU A 81 16.487 16.738 -13.639 1.00 0.00 N ATOM 944 CA LEU A 81 15.483 15.674 -13.542 1.00 0.00 C ATOM 945 C LEU A 81 15.657 14.600 -14.631 1.00 0.00 C ATOM 946 O LEU A 81 15.549 13.412 -14.333 1.00 0.00 O ATOM 947 CB LEU A 81 14.082 16.306 -13.604 1.00 0.00 C ATOM 948 CG LEU A 81 12.932 15.297 -13.400 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.984 14.638 -12.019 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.569 15.980 -13.508 1.00 0.00 C ATOM 0 H LEU A 81 16.095 17.647 -13.884 1.00 0.00 H new ATOM 0 HA LEU A 81 15.615 15.160 -12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.010 17.083 -12.843 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.957 16.794 -14.570 1.00 0.00 H new ATOM 0 HG LEU A 81 13.058 14.548 -14.182 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.156 13.936 -11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.928 14.105 -11.906 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.905 15.404 -11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.780 15.243 -13.360 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.489 16.755 -12.746 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.465 16.430 -14.495 1.00 0.00 H new ATOM 962 N GLY A 82 15.982 14.991 -15.868 1.00 0.00 N ATOM 963 CA GLY A 82 16.331 14.056 -16.945 1.00 0.00 C ATOM 964 C GLY A 82 17.634 13.312 -16.664 1.00 0.00 C ATOM 965 O GLY A 82 17.721 12.110 -16.910 1.00 0.00 O ATOM 0 H GLY A 82 16.011 15.970 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.524 13.335 -17.074 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.422 14.603 -17.883 1.00 0.00 H new ATOM 969 N GLU A 83 18.618 13.982 -16.058 1.00 0.00 N ATOM 970 CA GLU A 83 19.841 13.351 -15.574 1.00 0.00 C ATOM 971 C GLU A 83 19.568 12.353 -14.426 1.00 0.00 C ATOM 972 O GLU A 83 20.186 11.286 -14.383 1.00 0.00 O ATOM 973 CB GLU A 83 20.758 14.510 -15.177 1.00 0.00 C ATOM 974 CG GLU A 83 21.945 14.154 -14.297 1.00 0.00 C ATOM 975 CD GLU A 83 22.949 13.167 -14.931 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.095 13.129 -16.178 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.637 12.438 -14.175 1.00 0.00 O ATOM 0 H GLU A 83 18.584 14.987 -15.890 1.00 0.00 H new ATOM 0 HA GLU A 83 20.314 12.732 -16.337 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.134 14.977 -16.087 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.159 15.259 -14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.474 15.071 -14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.574 13.725 -13.366 1.00 0.00 H new ATOM 984 N LEU A 84 18.612 12.651 -13.533 1.00 0.00 N ATOM 985 CA LEU A 84 18.194 11.771 -12.433 1.00 0.00 C ATOM 986 C LEU A 84 17.475 10.515 -12.966 1.00 0.00 C ATOM 987 O LEU A 84 17.845 9.389 -12.626 1.00 0.00 O ATOM 988 CB LEU A 84 17.316 12.584 -11.451 1.00 0.00 C ATOM 989 CG LEU A 84 17.229 12.058 -10.005 1.00 0.00 C ATOM 990 CD1 LEU A 84 16.421 13.049 -9.163 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.568 10.690 -9.844 1.00 0.00 C ATOM 0 H LEU A 84 18.097 13.531 -13.557 1.00 0.00 H new ATOM 0 HA LEU A 84 19.070 11.409 -11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.696 13.605 -11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.306 12.632 -11.857 1.00 0.00 H new ATOM 0 HG LEU A 84 18.264 11.951 -9.681 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.354 12.685 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.914 14.021 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.418 13.147 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.557 10.413 -8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.545 10.734 -10.218 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.129 9.946 -10.409 1.00 0.00 H new ATOM 1003 N LEU A 85 16.479 10.703 -13.840 1.00 0.00 N ATOM 1004 CA LEU A 85 15.668 9.616 -14.415 1.00 0.00 C ATOM 1005 C LEU A 85 16.419 8.805 -15.489 1.00 0.00 C ATOM 1006 O LEU A 85 16.056 7.655 -15.745 1.00 0.00 O ATOM 1007 CB LEU A 85 14.349 10.199 -14.976 1.00 0.00 C ATOM 1008 CG LEU A 85 13.161 10.200 -13.991 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.435 10.958 -12.696 1.00 0.00 C ATOM 1010 CD2 LEU A 85 11.951 10.851 -14.661 1.00 0.00 C ATOM 0 H LEU A 85 16.207 11.628 -14.175 1.00 0.00 H new ATOM 0 HA LEU A 85 15.446 8.911 -13.614 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.532 11.223 -15.301 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.066 9.630 -15.861 1.00 0.00 H new ATOM 0 HG LEU A 85 12.982 9.156 -13.733 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.554 10.914 -12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.281 10.504 -12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.665 11.998 -12.925 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.109 10.854 -13.968 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.196 11.876 -14.938 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.683 10.288 -15.555 1.00 0.00 H new ATOM 1022 N GLY A 86 17.434 9.388 -16.134 1.00 0.00 N ATOM 1023 CA GLY A 86 18.199 8.781 -17.234 1.00 0.00 C ATOM 1024 C GLY A 86 17.550 8.924 -18.622 1.00 0.00 C ATOM 1025 O GLY A 86 18.020 8.308 -19.581 1.00 0.00 O ATOM 0 H GLY A 86 17.758 10.326 -15.899 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.190 9.234 -17.263 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.339 7.721 -17.020 1.00 0.00 H new ATOM 1029 N ARG A 87 16.462 9.705 -18.733 1.00 0.00 N ATOM 1030 CA ARG A 87 15.726 9.993 -19.982 1.00 0.00 C ATOM 1031 C ARG A 87 15.123 11.391 -19.975 1.00 0.00 C ATOM 1032 O ARG A 87 14.751 11.912 -18.928 1.00 0.00 O ATOM 1033 CB ARG A 87 14.646 8.929 -20.316 1.00 0.00 C ATOM 1034 CG ARG A 87 13.656 8.572 -19.190 1.00 0.00 C ATOM 1035 CD ARG A 87 14.213 7.542 -18.193 1.00 0.00 C ATOM 1036 NE ARG A 87 13.835 6.149 -18.494 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.156 5.100 -17.752 1.00 0.00 C ATOM 1038 NH1 ARG A 87 14.860 5.202 -16.664 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.771 3.902 -18.078 1.00 0.00 N ATOM 0 H ARG A 87 16.053 10.173 -17.924 1.00 0.00 H new ATOM 0 HA ARG A 87 16.470 9.945 -20.777 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.073 9.283 -21.173 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.153 8.015 -20.626 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.387 9.480 -18.651 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.740 8.181 -19.632 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.300 7.617 -18.178 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.863 7.794 -17.192 1.00 0.00 H new ATOM 0 HE ARG A 87 13.285 5.981 -19.337 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.188 6.116 -16.352 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.085 4.368 -16.122 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.211 3.757 -18.918 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.029 3.107 -17.493 1.00 0.00 H new ATOM 1053 N GLN A 88 14.999 11.976 -21.166 1.00 0.00 N ATOM 1054 CA GLN A 88 14.548 13.360 -21.361 1.00 0.00 C ATOM 1055 C GLN A 88 13.064 13.471 -21.742 1.00 0.00 C ATOM 1056 O GLN A 88 12.602 14.554 -22.101 1.00 0.00 O ATOM 1057 CB GLN A 88 15.502 14.100 -22.310 1.00 0.00 C ATOM 1058 CG GLN A 88 16.912 14.141 -21.697 1.00 0.00 C ATOM 1059 CD GLN A 88 17.932 14.841 -22.594 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.370 15.952 -22.332 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.353 14.231 -23.683 1.00 0.00 N ATOM 0 H GLN A 88 15.212 11.496 -22.040 1.00 0.00 H new ATOM 0 HA GLN A 88 14.598 13.870 -20.399 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.530 13.599 -23.277 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.142 15.114 -22.486 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.870 14.653 -20.736 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.247 13.122 -21.501 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.999 13.304 -23.918 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.033 14.686 -24.292 1.00 0.00 H new ATOM 1070 N SER A 89 12.301 12.380 -21.628 1.00 0.00 N ATOM 1071 CA SER A 89 10.831 12.411 -21.740 1.00 0.00 C ATOM 1072 C SER A 89 10.126 11.254 -21.017 1.00 0.00 C ATOM 1073 O SER A 89 10.676 10.157 -20.881 1.00 0.00 O ATOM 1074 CB SER A 89 10.381 12.473 -23.206 1.00 0.00 C ATOM 1075 OG SER A 89 10.780 11.315 -23.928 1.00 0.00 O ATOM 0 H SER A 89 12.680 11.449 -21.456 1.00 0.00 H new ATOM 0 HA SER A 89 10.526 13.325 -21.231 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.297 12.573 -23.250 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.803 13.360 -23.679 1.00 0.00 H new ATOM 0 HG SER A 89 10.476 11.387 -24.857 1.00 0.00 H new ATOM 1081 N PHE A 90 8.904 11.516 -20.539 1.00 0.00 N ATOM 1082 CA PHE A 90 7.981 10.556 -19.915 1.00 0.00 C ATOM 1083 C PHE A 90 6.527 11.079 -19.948 1.00 0.00 C ATOM 1084 O PHE A 90 6.261 12.180 -20.429 1.00 0.00 O ATOM 1085 CB PHE A 90 8.447 10.230 -18.482 1.00 0.00 C ATOM 1086 CG PHE A 90 8.563 11.396 -17.517 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.785 12.087 -17.400 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.481 11.745 -16.686 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.927 13.114 -16.452 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.625 12.775 -15.739 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.851 13.453 -15.616 1.00 0.00 C ATOM 0 H PHE A 90 8.509 12.456 -20.579 1.00 0.00 H new ATOM 0 HA PHE A 90 7.994 9.630 -20.490 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.754 9.505 -18.056 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.420 9.743 -18.544 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.615 11.827 -18.041 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.541 11.222 -16.776 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.865 13.643 -16.366 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.793 13.046 -15.106 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.965 14.234 -14.879 1.00 0.00 H new ATOM 1101 N SER A 91 5.566 10.293 -19.455 1.00 0.00 N ATOM 1102 CA SER A 91 4.133 10.631 -19.474 1.00 0.00 C ATOM 1103 C SER A 91 3.433 10.222 -18.176 1.00 0.00 C ATOM 1104 O SER A 91 3.832 9.251 -17.534 1.00 0.00 O ATOM 1105 CB SER A 91 3.471 9.918 -20.659 1.00 0.00 C ATOM 1106 OG SER A 91 2.071 10.135 -20.647 1.00 0.00 O ATOM 0 H SER A 91 5.761 9.389 -19.024 1.00 0.00 H new ATOM 0 HA SER A 91 4.039 11.712 -19.573 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.894 10.284 -21.594 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.680 8.849 -20.611 1.00 0.00 H new ATOM 0 HG SER A 91 1.767 10.358 -21.551 1.00 0.00 H new ATOM 1112 N VAL A 92 2.328 10.891 -17.827 1.00 0.00 N ATOM 1113 CA VAL A 92 1.443 10.446 -16.729 1.00 0.00 C ATOM 1114 C VAL A 92 0.734 9.111 -17.036 1.00 0.00 C ATOM 1115 O VAL A 92 0.196 8.477 -16.127 1.00 0.00 O ATOM 1116 CB VAL A 92 0.436 11.535 -16.305 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.158 12.819 -15.876 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.569 11.871 -17.410 1.00 0.00 C ATOM 0 H VAL A 92 2.019 11.747 -18.288 1.00 0.00 H new ATOM 0 HA VAL A 92 2.099 10.266 -15.878 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.114 11.122 -15.460 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.423 13.569 -15.583 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.813 12.603 -15.032 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.751 13.198 -16.708 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.253 12.643 -17.057 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.036 12.233 -18.289 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.135 10.977 -17.672 1.00 0.00 H new ATOM 1128 N LYS A 93 0.763 8.644 -18.298 1.00 0.00 N ATOM 1129 CA LYS A 93 0.331 7.290 -18.703 1.00 0.00 C ATOM 1130 C LYS A 93 1.423 6.224 -18.501 1.00 0.00 C ATOM 1131 O LYS A 93 1.113 5.033 -18.475 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.123 7.307 -20.173 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.440 8.071 -20.380 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.829 8.078 -21.868 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.074 8.930 -22.162 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.326 8.317 -21.636 1.00 0.00 N ATOM 0 H LYS A 93 1.094 9.207 -19.081 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.501 7.014 -18.055 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.656 7.763 -20.784 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.244 6.282 -20.523 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.233 7.607 -19.793 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.334 9.095 -20.021 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.991 8.455 -22.455 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.011 7.054 -22.194 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.945 9.919 -21.722 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.167 9.070 -23.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.134 8.931 -21.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.467 7.385 -22.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.252 8.207 -20.605 1.00 0.00 H new ATOM 1150 N ASP A 94 2.685 6.637 -18.343 1.00 0.00 N ATOM 1151 CA ASP A 94 3.865 5.769 -18.219 1.00 0.00 C ATOM 1152 C ASP A 94 4.863 6.314 -17.162 1.00 0.00 C ATOM 1153 O ASP A 94 5.957 6.770 -17.514 1.00 0.00 O ATOM 1154 CB ASP A 94 4.524 5.595 -19.602 1.00 0.00 C ATOM 1155 CG ASP A 94 3.668 4.756 -20.565 1.00 0.00 C ATOM 1156 OD1 ASP A 94 3.664 3.507 -20.439 1.00 0.00 O ATOM 1157 OD2 ASP A 94 3.027 5.333 -21.477 1.00 0.00 O ATOM 0 H ASP A 94 2.924 7.627 -18.296 1.00 0.00 H new ATOM 0 HA ASP A 94 3.548 4.788 -17.863 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.702 6.577 -20.041 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.497 5.120 -19.479 1.00 0.00 H new ATOM 1162 N PRO A 95 4.519 6.270 -15.855 1.00 0.00 N ATOM 1163 CA PRO A 95 5.380 6.736 -14.757 1.00 0.00 C ATOM 1164 C PRO A 95 6.570 5.809 -14.438 1.00 0.00 C ATOM 1165 O PRO A 95 7.322 6.073 -13.499 1.00 0.00 O ATOM 1166 CB PRO A 95 4.440 6.889 -13.557 1.00 0.00 C ATOM 1167 CG PRO A 95 3.390 5.807 -13.805 1.00 0.00 C ATOM 1168 CD PRO A 95 3.233 5.831 -15.323 1.00 0.00 C ATOM 0 HA PRO A 95 5.868 7.670 -15.035 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.962 6.736 -12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.994 7.883 -13.517 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.722 4.832 -13.448 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.451 6.030 -13.298 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.970 4.844 -15.703 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.435 6.511 -15.622 1.00 0.00 H new ATOM 1176 N SER A 96 6.772 4.734 -15.207 1.00 0.00 N ATOM 1177 CA SER A 96 7.834 3.727 -15.039 1.00 0.00 C ATOM 1178 C SER A 96 9.248 4.283 -14.769 1.00 0.00 C ATOM 1179 O SER A 96 9.941 3.686 -13.946 1.00 0.00 O ATOM 1180 CB SER A 96 7.865 2.790 -16.257 1.00 0.00 C ATOM 1181 OG SER A 96 6.557 2.308 -16.543 1.00 0.00 O ATOM 0 H SER A 96 6.171 4.529 -16.005 1.00 0.00 H new ATOM 0 HA SER A 96 7.566 3.188 -14.130 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.262 3.321 -17.123 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.534 1.952 -16.063 1.00 0.00 H new ATOM 0 HG SER A 96 6.590 1.714 -17.322 1.00 0.00 H new ATOM 1187 N PRO A 97 9.692 5.429 -15.336 1.00 0.00 N ATOM 1188 CA PRO A 97 10.978 6.047 -14.987 1.00 0.00 C ATOM 1189 C PRO A 97 11.176 6.381 -13.500 1.00 0.00 C ATOM 1190 O PRO A 97 12.306 6.318 -13.017 1.00 0.00 O ATOM 1191 CB PRO A 97 11.051 7.313 -15.843 1.00 0.00 C ATOM 1192 CG PRO A 97 10.301 6.894 -17.102 1.00 0.00 C ATOM 1193 CD PRO A 97 9.137 6.116 -16.500 1.00 0.00 C ATOM 0 HA PRO A 97 11.778 5.333 -15.182 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.579 8.164 -15.352 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.080 7.600 -16.059 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.966 7.751 -17.687 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.913 6.277 -17.761 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.325 6.784 -16.212 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.726 5.405 -17.217 1.00 0.00 H new ATOM 1201 N LEU A 98 10.107 6.688 -12.751 1.00 0.00 N ATOM 1202 CA LEU A 98 10.181 6.895 -11.295 1.00 0.00 C ATOM 1203 C LEU A 98 10.410 5.556 -10.582 1.00 0.00 C ATOM 1204 O LEU A 98 11.282 5.430 -9.722 1.00 0.00 O ATOM 1205 CB LEU A 98 8.894 7.561 -10.763 1.00 0.00 C ATOM 1206 CG LEU A 98 8.734 9.066 -11.051 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.440 9.382 -12.519 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.571 9.602 -10.212 1.00 0.00 C ATOM 0 H LEU A 98 9.169 6.800 -13.135 1.00 0.00 H new ATOM 0 HA LEU A 98 11.020 7.560 -11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.037 7.038 -11.189 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.853 7.413 -9.684 1.00 0.00 H new ATOM 0 HG LEU A 98 9.684 9.537 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.340 10.460 -12.646 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.258 9.018 -13.140 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.512 8.894 -12.818 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.444 10.667 -10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.656 9.074 -10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.784 9.447 -9.154 1.00 0.00 H new ATOM 1220 N TYR A 99 9.663 4.525 -10.976 1.00 0.00 N ATOM 1221 CA TYR A 99 9.795 3.194 -10.389 1.00 0.00 C ATOM 1222 C TYR A 99 11.143 2.539 -10.728 1.00 0.00 C ATOM 1223 O TYR A 99 11.705 1.843 -9.891 1.00 0.00 O ATOM 1224 CB TYR A 99 8.599 2.327 -10.801 1.00 0.00 C ATOM 1225 CG TYR A 99 7.273 2.845 -10.271 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.899 2.574 -8.940 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.417 3.601 -11.098 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.670 3.044 -8.438 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.188 4.073 -10.599 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.808 3.792 -9.269 1.00 0.00 C ATOM 1231 OH TYR A 99 3.603 4.229 -8.806 1.00 0.00 O ATOM 0 H TYR A 99 8.954 4.589 -11.706 1.00 0.00 H new ATOM 0 HA TYR A 99 9.786 3.292 -9.303 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.553 2.276 -11.889 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.755 1.310 -10.441 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.558 2.003 -8.302 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.705 3.818 -12.116 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.387 2.832 -7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.535 4.651 -11.235 1.00 0.00 H new ATOM 0 HH TYR A 99 3.143 4.728 -9.513 1.00 0.00 H new ATOM 1241 N ASP A 100 11.735 2.845 -11.883 1.00 0.00 N ATOM 1242 CA ASP A 100 13.110 2.467 -12.250 1.00 0.00 C ATOM 1243 C ASP A 100 14.177 3.167 -11.381 1.00 0.00 C ATOM 1244 O ASP A 100 15.237 2.613 -11.090 1.00 0.00 O ATOM 1245 CB ASP A 100 13.317 2.809 -13.730 1.00 0.00 C ATOM 1246 CG ASP A 100 14.594 2.203 -14.336 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.041 1.117 -13.894 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.136 2.810 -15.291 1.00 0.00 O ATOM 0 H ASP A 100 11.262 3.378 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 100 13.233 1.398 -12.074 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.455 2.459 -14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.353 3.893 -13.841 1.00 0.00 H new ATOM 1253 N MET A 101 13.878 4.386 -10.930 1.00 0.00 N ATOM 1254 CA MET A 101 14.651 5.134 -9.930 1.00 0.00 C ATOM 1255 C MET A 101 14.489 4.547 -8.506 1.00 0.00 C ATOM 1256 O MET A 101 15.439 4.564 -7.724 1.00 0.00 O ATOM 1257 CB MET A 101 14.259 6.626 -10.067 1.00 0.00 C ATOM 1258 CG MET A 101 14.036 7.414 -8.774 1.00 0.00 C ATOM 1259 SD MET A 101 13.203 9.007 -9.044 1.00 0.00 S ATOM 1260 CE MET A 101 11.617 8.689 -8.215 1.00 0.00 C ATOM 0 H MET A 101 13.062 4.901 -11.261 1.00 0.00 H new ATOM 0 HA MET A 101 15.722 5.043 -10.112 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.039 7.129 -10.638 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.345 6.682 -10.658 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.442 6.812 -8.087 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.998 7.591 -8.293 1.00 0.00 H new ATOM 0 HE1 MET A 101 10.984 9.573 -8.289 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.119 7.845 -8.693 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.795 8.458 -7.165 1.00 0.00 H new ATOM 1270 N LEU A 102 13.312 3.999 -8.171 1.00 0.00 N ATOM 1271 CA LEU A 102 12.940 3.497 -6.837 1.00 0.00 C ATOM 1272 C LEU A 102 13.227 2.005 -6.614 1.00 0.00 C ATOM 1273 O LEU A 102 13.500 1.628 -5.478 1.00 0.00 O ATOM 1274 CB LEU A 102 11.450 3.804 -6.594 1.00 0.00 C ATOM 1275 CG LEU A 102 11.147 5.300 -6.397 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.669 5.566 -6.654 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.498 5.745 -4.976 1.00 0.00 C ATOM 0 H LEU A 102 12.560 3.888 -8.851 1.00 0.00 H new ATOM 0 HA LEU A 102 13.572 4.014 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.870 3.434 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.115 3.256 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 102 11.754 5.866 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.460 6.627 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.420 5.280 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.068 4.982 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.275 6.806 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.910 5.171 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.559 5.576 -4.793 1.00 0.00 H new ATOM 1289 N ARG A 103 13.245 1.166 -7.662 1.00 0.00 N ATOM 1290 CA ARG A 103 13.598 -0.277 -7.604 1.00 0.00 C ATOM 1291 C ARG A 103 15.027 -0.549 -7.125 1.00 0.00 C ATOM 1292 O ARG A 103 15.346 -1.616 -6.604 1.00 0.00 O ATOM 1293 CB ARG A 103 13.316 -0.946 -8.964 1.00 0.00 C ATOM 1294 CG ARG A 103 14.078 -0.439 -10.197 1.00 0.00 C ATOM 1295 CD ARG A 103 15.520 -0.929 -10.395 1.00 0.00 C ATOM 1296 NE ARG A 103 16.025 -0.489 -11.708 1.00 0.00 N ATOM 1297 CZ ARG A 103 17.159 -0.806 -12.297 1.00 0.00 C ATOM 1298 NH1 ARG A 103 18.048 -1.593 -11.756 1.00 0.00 N ATOM 1299 NH2 ARG A 103 17.396 -0.309 -13.472 1.00 0.00 N ATOM 0 H ARG A 103 13.008 1.474 -8.605 1.00 0.00 H new ATOM 0 HA ARG A 103 12.958 -0.725 -6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.523 -2.011 -8.860 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.250 -0.847 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.505 -0.715 -11.082 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.096 0.650 -10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 103 16.158 -0.539 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.556 -2.016 -10.328 1.00 0.00 H new ATOM 0 HE ARG A 103 15.417 0.143 -12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.880 -1.994 -10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.911 -1.807 -12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.713 0.308 -13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.265 -0.535 -13.955 1.00 0.00 H new ATOM 1313 N LYS A 104 15.875 0.466 -7.298 1.00 0.00 N ATOM 1314 CA LYS A 104 17.237 0.571 -6.755 1.00 0.00 C ATOM 1315 C LYS A 104 17.249 0.662 -5.217 1.00 0.00 C ATOM 1316 O LYS A 104 18.212 0.217 -4.592 1.00 0.00 O ATOM 1317 CB LYS A 104 17.895 1.779 -7.441 1.00 0.00 C ATOM 1318 CG LYS A 104 19.362 2.007 -7.050 1.00 0.00 C ATOM 1319 CD LYS A 104 20.068 3.004 -7.985 1.00 0.00 C ATOM 1320 CE LYS A 104 19.309 4.334 -8.126 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.085 5.320 -8.931 1.00 0.00 N ATOM 0 H LYS A 104 15.619 1.284 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 104 17.810 -0.332 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.836 1.645 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.323 2.675 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.409 2.377 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.893 1.055 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 104 21.071 3.202 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 104 20.183 2.551 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.343 4.155 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.108 4.747 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.546 6.206 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.996 5.508 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.255 4.935 -9.882 1.00 0.00 H new ATOM 1335 N ASN A 105 16.174 1.185 -4.610 1.00 0.00 N ATOM 1336 CA ASN A 105 15.970 1.192 -3.152 1.00 0.00 C ATOM 1337 C ASN A 105 14.982 0.104 -2.666 1.00 0.00 C ATOM 1338 O ASN A 105 15.403 -0.868 -2.035 1.00 0.00 O ATOM 1339 CB ASN A 105 15.584 2.604 -2.703 1.00 0.00 C ATOM 1340 CG ASN A 105 15.458 2.698 -1.187 1.00 0.00 C ATOM 1341 OD1 ASN A 105 14.381 2.592 -0.625 1.00 0.00 O ATOM 1342 ND2 ASN A 105 16.549 2.886 -0.480 1.00 0.00 N ATOM 0 H ASN A 105 15.410 1.622 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 105 16.911 0.923 -2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.334 3.314 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.638 2.887 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.494 2.943 0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.451 2.975 -0.948 1.00 0.00 H new ATOM 1349 N LEU A 106 13.680 0.264 -2.940 1.00 0.00 N ATOM 1350 CA LEU A 106 12.612 -0.655 -2.530 1.00 0.00 C ATOM 1351 C LEU A 106 12.448 -1.856 -3.472 1.00 0.00 C ATOM 1352 O LEU A 106 12.831 -1.828 -4.640 1.00 0.00 O ATOM 1353 CB LEU A 106 11.275 0.114 -2.441 1.00 0.00 C ATOM 1354 CG LEU A 106 11.219 1.198 -1.357 1.00 0.00 C ATOM 1355 CD1 LEU A 106 9.890 1.949 -1.448 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.353 0.613 0.048 1.00 0.00 C ATOM 0 H LEU A 106 13.331 1.063 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 106 12.897 -1.053 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.075 0.577 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.473 -0.602 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 106 12.058 1.872 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.853 2.718 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.802 2.415 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.066 1.250 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.308 1.417 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.540 -0.090 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.307 0.094 0.136 1.00 0.00 H new ATOM 1368 N VAL A 107 11.752 -2.877 -2.967 1.00 0.00 N ATOM 1369 CA VAL A 107 11.267 -4.050 -3.720 1.00 0.00 C ATOM 1370 C VAL A 107 9.771 -3.914 -4.077 1.00 0.00 C ATOM 1371 O VAL A 107 9.009 -4.882 -4.072 1.00 0.00 O ATOM 1372 CB VAL A 107 11.616 -5.360 -2.981 1.00 0.00 C ATOM 1373 CG1 VAL A 107 13.134 -5.579 -2.950 1.00 0.00 C ATOM 1374 CG2 VAL A 107 11.085 -5.419 -1.540 1.00 0.00 C ATOM 0 H VAL A 107 11.497 -2.916 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 107 11.790 -4.093 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 107 11.122 -6.149 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 107 13.357 -6.508 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.514 -5.639 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 107 13.611 -4.746 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.369 -6.368 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 107 11.510 -4.598 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.998 -5.332 -1.549 1.00 0.00 H new ATOM 1384 N THR A 108 9.335 -2.674 -4.332 1.00 0.00 N ATOM 1385 CA THR A 108 7.921 -2.281 -4.483 1.00 0.00 C ATOM 1386 C THR A 108 7.340 -2.553 -5.881 1.00 0.00 C ATOM 1387 O THR A 108 8.043 -2.954 -6.814 1.00 0.00 O ATOM 1388 CB THR A 108 7.723 -0.820 -4.035 1.00 0.00 C ATOM 1389 OG1 THR A 108 6.356 -0.561 -3.794 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.257 0.219 -5.026 1.00 0.00 C ATOM 0 H THR A 108 9.975 -1.888 -4.443 1.00 0.00 H new ATOM 0 HA THR A 108 7.342 -2.927 -3.823 1.00 0.00 H new ATOM 0 HB THR A 108 8.308 -0.717 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.245 0.370 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.078 1.221 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.328 0.071 -5.167 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.746 0.106 -5.982 1.00 0.00 H new ATOM 1398 N LEU A 109 6.031 -2.328 -6.007 1.00 0.00 N ATOM 1399 CA LEU A 109 5.223 -2.484 -7.224 1.00 0.00 C ATOM 1400 C LEU A 109 4.905 -1.126 -7.883 1.00 0.00 C ATOM 1401 O LEU A 109 5.051 -0.070 -7.262 1.00 0.00 O ATOM 1402 CB LEU A 109 3.933 -3.259 -6.883 1.00 0.00 C ATOM 1403 CG LEU A 109 4.144 -4.668 -6.291 1.00 0.00 C ATOM 1404 CD1 LEU A 109 2.788 -5.302 -5.979 1.00 0.00 C ATOM 1405 CD2 LEU A 109 4.897 -5.601 -7.242 1.00 0.00 C ATOM 0 H LEU A 109 5.470 -2.013 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 109 5.800 -3.052 -7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.352 -2.669 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.334 -3.350 -7.789 1.00 0.00 H new ATOM 0 HG LEU A 109 4.743 -4.543 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.939 -6.297 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.254 -4.683 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.203 -5.379 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.017 -6.578 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.333 -5.709 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.879 -5.181 -7.462 1.00 0.00 H new ATOM 1417 N ALA A 110 4.440 -1.164 -9.136 1.00 0.00 N ATOM 1418 CA ALA A 110 4.085 0.010 -9.939 1.00 0.00 C ATOM 1419 C ALA A 110 2.666 -0.066 -10.520 1.00 0.00 C ATOM 1420 O ALA A 110 2.067 -1.144 -10.601 1.00 0.00 O ATOM 1421 CB ALA A 110 5.096 0.165 -11.070 1.00 0.00 C ATOM 0 H ALA A 110 4.296 -2.042 -9.635 1.00 0.00 H new ATOM 0 HA ALA A 110 4.107 0.876 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.838 1.037 -11.672 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.094 0.296 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.080 -0.726 -11.697 1.00 0.00 H new ATOM 1427 N THR A 111 2.132 1.090 -10.929 1.00 0.00 N ATOM 1428 CA THR A 111 0.740 1.224 -11.386 1.00 0.00 C ATOM 1429 C THR A 111 0.477 2.470 -12.237 1.00 0.00 C ATOM 1430 O THR A 111 1.306 3.389 -12.309 1.00 0.00 O ATOM 1431 CB THR A 111 -0.173 1.190 -10.156 1.00 0.00 C ATOM 1432 OG1 THR A 111 -1.512 0.991 -10.564 1.00 0.00 O ATOM 1433 CG2 THR A 111 -0.116 2.440 -9.271 1.00 0.00 C ATOM 0 H THR A 111 2.655 1.966 -10.953 1.00 0.00 H new ATOM 0 HA THR A 111 0.527 0.388 -12.052 1.00 0.00 H new ATOM 0 HB THR A 111 0.199 0.365 -9.548 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.094 0.968 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.796 2.320 -8.428 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.900 2.578 -8.901 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.411 3.312 -9.854 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.336 13.790 -12.249 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.856 13.930 -11.235 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.305 11.915 -10.925 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.158 15.437 -14.004 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.394 14.149 -12.509 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.612 13.228 -10.291 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.340 11.300 -12.002 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.645 11.146 -9.808 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.195 14.830 -14.731 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.416 16.450 -14.637 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.665 13.674 -12.832 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.875 12.741 -10.619 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.643 9.943 -11.956 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.371 9.780 -9.778 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.533 15.260 -16.010 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.775 16.886 -15.916 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.403 12.970 -11.885 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.273 9.176 -10.856 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -1.832 16.306 -16.601 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.976 12.376 -12.282 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.489 9.207 -13.268 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.345 16.432 -18.568 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.530 16.680 -15.644 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.754 18.150 -13.598 1.00 0.00 C HETATM 1466 C1 49H A 200 -1.520 20.263 -11.202 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.798 19.870 -11.234 1.00 0.00 N HETATM 1468 O1 49H A 200 -1.279 21.454 -11.261 1.00 0.00 O HETATM 1469 C2 49H A 200 -3.208 18.468 -11.154 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.780 17.767 -11.404 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.186 17.524 -11.813 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.022 15.542 -11.673 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.133 16.787 -17.860 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.436 19.192 -11.100 1.00 0.00 C HETATM 1475 C5 49H A 200 0.175 16.805 -11.229 1.00 0.00 C HETATM 1476 O5 49H A 200 1.193 17.078 -10.617 1.00 0.00 O HETATM 1477 C6 49H A 200 -0.909 14.940 -12.610 1.00 0.00 C HETATM 1478 O6 49H A 200 0.707 16.973 -14.023 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.687 13.393 -10.975 1.00 0.00 C HETATM 1480 C8 49H A 200 0.463 14.432 -10.839 1.00 0.00 C HETATM 1481 C9 49H A 200 1.798 17.651 -14.693 1.00 0.00 C