USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 hydrogens (23 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 46 MET CE :methyl 140:sc= -5.24! (180deg=-6.64!) USER MOD Set 1.2: A 100 SER OG : rot 97:sc= 0.715 USER MOD Set 2.1: A 74 SER OG : rot 180:sc= 0.0481 USER MOD Set 2.2: A 85 GLN : amide:sc= 0.00325 X(o=0.051,f=0.048) USER MOD Set 3.1: A 61 GLN :FLIP amide:sc= 1.08 F(o=-2.7,f=2.2) USER MOD Set 3.2: A 63 TYR OH : rot -145:sc= 1.17 USER MOD Set 4.1: A 36 SER OG : rot 140:sc= 0 USER MOD Set 4.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 25 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.4) USER MOD Set 5.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 16 SER OG : rot 58:sc= 0.234 USER MOD Set 6.2: A 18 SER OG : rot 46:sc= 0.522 USER MOD Single : A 13 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.38) USER MOD Single : A 14 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.068) USER MOD Single : A 17 THR OG1 : rot -6:sc= 0.789 USER MOD Single : A 20 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.098) USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -0.434 (180deg=-1.17) USER MOD Single : A 27 THR OG1 : rot -160:sc= 0.0555 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -173:sc=-0.00706 (180deg=-0.1) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.07) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -4.83 F(o=-5.5!,f=-4.8) USER MOD Single : A 55 GLN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.719 USER MOD Single : A 58 MET CE :methyl 170:sc= -0.181 (180deg=-0.342) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.81 K(o=-3.8,f=-5.7!) USER MOD Single : A 68 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.13) USER MOD Single : A 69 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.7) USER MOD Single : A 72 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-2.5!) USER MOD Single : A 73 CYS SG : rot -134:sc= -0.927 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -2.29 F(o=-4.4!,f=-2.3) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.882 USER MOD Single : A 98 MET CE :methyl -109:sc= -7.09! (180deg=-14.9!) USER MOD Single : A 102 ASN : amide:sc= -2.49 X(o=-2.5,f=-2.5!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 13 -19.551 21.900 7.684 1.00 1.00 N ATOM 2 CA ASN A 13 -18.834 20.605 7.541 1.00 1.00 C ATOM 3 C ASN A 13 -19.210 19.907 6.238 1.00 1.00 C ATOM 4 O ASN A 13 -19.213 18.679 6.159 1.00 1.00 O ATOM 5 CB ASN A 13 -19.188 19.717 8.736 1.00 1.00 C ATOM 6 CG ASN A 13 -20.685 19.552 8.910 1.00 1.00 C ATOM 7 OD1 ASN A 13 -21.405 20.523 9.146 1.00 1.00 O ATOM 8 ND2 ASN A 13 -21.162 18.318 8.795 1.00 1.00 N ATOM 0 HA ASN A 13 -17.760 20.792 7.516 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -18.730 18.737 8.605 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -18.765 20.148 9.643 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -22.162 18.145 8.903 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -20.529 17.543 8.599 1.00 1.00 H new ATOM 17 N HIS A 14 -19.527 20.698 5.219 1.00 1.00 N ATOM 18 CA HIS A 14 -19.905 20.156 3.918 1.00 1.00 C ATOM 19 C HIS A 14 -18.858 20.497 2.862 1.00 1.00 C ATOM 20 O HIS A 14 -18.195 21.531 2.941 1.00 1.00 O ATOM 21 CB HIS A 14 -21.272 20.696 3.495 1.00 1.00 C ATOM 22 CG HIS A 14 -22.203 19.638 2.989 1.00 1.00 C ATOM 23 ND1 HIS A 14 -23.572 19.798 2.945 1.00 1.00 N ATOM 24 CD2 HIS A 14 -21.955 18.399 2.502 1.00 1.00 C ATOM 25 CE1 HIS A 14 -24.126 18.703 2.455 1.00 1.00 C ATOM 26 NE2 HIS A 14 -23.167 17.840 2.177 1.00 1.00 N ATOM 0 H HIS A 14 -19.530 21.717 5.268 1.00 1.00 H new ATOM 0 HA HIS A 14 -19.964 19.071 4.006 1.00 1.00 H new ATOM 0 HB2 HIS A 14 -21.734 21.199 4.345 1.00 1.00 H new ATOM 0 HB3 HIS A 14 -21.132 21.447 2.718 1.00 1.00 H new ATOM 0 HD2 HIS A 14 -20.985 17.937 2.390 1.00 1.00 H new ATOM 0 HE1 HIS A 14 -25.184 18.542 2.307 1.00 1.00 H new ATOM 0 HE2 HIS A 14 -23.304 16.909 1.784 1.00 1.00 H new ATOM 35 N ILE A 15 -18.714 19.619 1.874 1.00 1.00 N ATOM 36 CA ILE A 15 -17.748 19.826 0.801 1.00 1.00 C ATOM 37 C ILE A 15 -18.427 19.726 -0.565 1.00 1.00 C ATOM 38 O ILE A 15 -19.537 19.205 -0.675 1.00 1.00 O ATOM 39 CB ILE A 15 -16.598 18.799 0.876 1.00 1.00 C ATOM 40 CG1 ILE A 15 -16.075 18.679 2.309 1.00 1.00 C ATOM 41 CG2 ILE A 15 -15.473 19.192 -0.068 1.00 1.00 C ATOM 42 CD1 ILE A 15 -15.740 17.260 2.713 1.00 1.00 C ATOM 0 H ILE A 15 -19.254 18.757 1.794 1.00 1.00 H new ATOM 0 HA ILE A 15 -17.334 20.826 0.926 1.00 1.00 H new ATOM 0 HB ILE A 15 -16.985 17.827 0.569 1.00 1.00 H new ATOM 0 HG12 ILE A 15 -15.184 19.298 2.415 1.00 1.00 H new ATOM 0 HG13 ILE A 15 -16.823 19.076 2.995 1.00 1.00 H new ATOM 0 HG21 ILE A 15 -14.670 18.458 -0.003 1.00 1.00 H new ATOM 0 HG22 ILE A 15 -15.851 19.227 -1.090 1.00 1.00 H new ATOM 0 HG23 ILE A 15 -15.090 20.174 0.211 1.00 1.00 H new ATOM 0 HD11 ILE A 15 -15.375 17.251 3.740 1.00 1.00 H new ATOM 0 HD12 ILE A 15 -16.634 16.640 2.639 1.00 1.00 H new ATOM 0 HD13 ILE A 15 -14.969 16.866 2.051 1.00 1.00 H new ATOM 54 N SER A 16 -17.763 20.230 -1.605 1.00 1.00 N ATOM 55 CA SER A 16 -18.320 20.193 -2.954 1.00 1.00 C ATOM 56 C SER A 16 -17.435 19.379 -3.895 1.00 1.00 C ATOM 57 O SER A 16 -16.842 19.919 -4.829 1.00 1.00 O ATOM 58 CB SER A 16 -18.491 21.614 -3.494 1.00 1.00 C ATOM 59 OG SER A 16 -17.266 22.327 -3.452 1.00 1.00 O ATOM 0 H SER A 16 -16.843 20.666 -1.539 1.00 1.00 H new ATOM 0 HA SER A 16 -19.295 19.709 -2.902 1.00 1.00 H new ATOM 0 HB2 SER A 16 -18.858 21.575 -4.520 1.00 1.00 H new ATOM 0 HB3 SER A 16 -19.243 22.141 -2.907 1.00 1.00 H new ATOM 0 HG SER A 16 -16.591 21.849 -3.977 1.00 1.00 H new ATOM 65 N THR A 17 -17.356 18.075 -3.646 1.00 1.00 N ATOM 66 CA THR A 17 -16.548 17.180 -4.472 1.00 1.00 C ATOM 67 C THR A 17 -15.116 17.692 -4.614 1.00 1.00 C ATOM 68 O THR A 17 -14.424 17.365 -5.578 1.00 1.00 O ATOM 69 CB THR A 17 -17.181 17.020 -5.856 1.00 1.00 C ATOM 70 OG1 THR A 17 -16.928 18.159 -6.659 1.00 1.00 O ATOM 71 CG2 THR A 17 -18.680 16.813 -5.810 1.00 1.00 C ATOM 0 H THR A 17 -17.842 17.613 -2.878 1.00 1.00 H new ATOM 0 HA THR A 17 -16.515 16.211 -3.975 1.00 1.00 H new ATOM 0 HB THR A 17 -16.721 16.128 -6.281 1.00 1.00 H new ATOM 0 HG1 THR A 17 -16.481 18.846 -6.121 1.00 1.00 H new ATOM 0 HG21 THR A 17 -19.064 16.707 -6.825 1.00 1.00 H new ATOM 0 HG22 THR A 17 -18.905 15.911 -5.241 1.00 1.00 H new ATOM 0 HG23 THR A 17 -19.151 17.672 -5.332 1.00 1.00 H new ATOM 79 N SER A 18 -14.676 18.493 -3.649 1.00 1.00 N ATOM 80 CA SER A 18 -13.327 19.045 -3.669 1.00 1.00 C ATOM 81 C SER A 18 -12.483 18.455 -2.544 1.00 1.00 C ATOM 82 O SER A 18 -13.015 17.972 -1.544 1.00 1.00 O ATOM 83 CB SER A 18 -13.374 20.569 -3.542 1.00 1.00 C ATOM 84 OG SER A 18 -14.284 21.130 -4.473 1.00 1.00 O ATOM 0 H SER A 18 -15.235 18.774 -2.843 1.00 1.00 H new ATOM 0 HA SER A 18 -12.867 18.782 -4.622 1.00 1.00 H new ATOM 0 HB2 SER A 18 -13.669 20.844 -2.529 1.00 1.00 H new ATOM 0 HB3 SER A 18 -12.379 20.982 -3.707 1.00 1.00 H new ATOM 0 HG SER A 18 -15.122 20.623 -4.458 1.00 1.00 H new ATOM 90 N ASP A 19 -11.165 18.499 -2.713 1.00 1.00 N ATOM 91 CA ASP A 19 -10.246 17.970 -1.711 1.00 1.00 C ATOM 92 C ASP A 19 -10.425 16.464 -1.548 1.00 1.00 C ATOM 93 O ASP A 19 -11.548 15.969 -1.443 1.00 1.00 O ATOM 94 CB ASP A 19 -10.463 18.669 -0.367 1.00 1.00 C ATOM 95 CG ASP A 19 -9.322 18.426 0.601 1.00 1.00 C ATOM 96 OD1 ASP A 19 -8.168 18.298 0.140 1.00 1.00 O ATOM 97 OD2 ASP A 19 -9.582 18.364 1.821 1.00 1.00 O ATOM 0 H ASP A 19 -10.709 18.896 -3.535 1.00 1.00 H new ATOM 0 HA ASP A 19 -9.229 18.162 -2.052 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -10.574 19.741 -0.532 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -11.394 18.316 0.077 1.00 1.00 H new ATOM 102 N GLN A 20 -9.311 15.741 -1.525 1.00 1.00 N ATOM 103 CA GLN A 20 -9.339 14.293 -1.373 1.00 1.00 C ATOM 104 C GLN A 20 -8.735 13.884 -0.032 1.00 1.00 C ATOM 105 O GLN A 20 -7.881 14.583 0.514 1.00 1.00 O ATOM 106 CB GLN A 20 -8.582 13.631 -2.530 1.00 1.00 C ATOM 107 CG GLN A 20 -8.140 12.205 -2.245 1.00 1.00 C ATOM 108 CD GLN A 20 -7.422 11.570 -3.420 1.00 1.00 C ATOM 109 OE1 GLN A 20 -7.751 10.460 -3.838 1.00 1.00 O ATOM 110 NE2 GLN A 20 -6.434 12.274 -3.960 1.00 1.00 N ATOM 0 H GLN A 20 -8.375 16.137 -1.610 1.00 1.00 H new ATOM 0 HA GLN A 20 -10.376 13.957 -1.395 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -9.218 13.633 -3.415 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -7.704 14.232 -2.767 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -7.482 12.200 -1.376 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -9.012 11.603 -1.988 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -6.195 13.190 -3.582 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -5.914 11.898 -4.753 1.00 1.00 H new ATOM 119 N GLU A 21 -9.184 12.749 0.494 1.00 1.00 N ATOM 120 CA GLU A 21 -8.687 12.251 1.772 1.00 1.00 C ATOM 121 C GLU A 21 -8.741 10.726 1.819 1.00 1.00 C ATOM 122 O GLU A 21 -8.813 10.070 0.780 1.00 1.00 O ATOM 123 CB GLU A 21 -9.501 12.847 2.924 1.00 1.00 C ATOM 124 CG GLU A 21 -9.770 14.336 2.773 1.00 1.00 C ATOM 125 CD GLU A 21 -10.326 14.959 4.038 1.00 1.00 C ATOM 126 OE1 GLU A 21 -9.522 15.397 4.888 1.00 1.00 O ATOM 127 OE2 GLU A 21 -11.566 15.009 4.179 1.00 1.00 O ATOM 0 H GLU A 21 -9.890 12.157 0.056 1.00 1.00 H new ATOM 0 HA GLU A 21 -7.647 12.559 1.879 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -10.452 12.320 2.996 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -8.970 12.675 3.860 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -8.845 14.843 2.499 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -10.473 14.493 1.955 1.00 1.00 H new ATOM 134 N LYS A 22 -8.697 10.165 3.029 1.00 1.00 N ATOM 135 CA LYS A 22 -8.733 8.714 3.209 1.00 1.00 C ATOM 136 C LYS A 22 -7.399 8.078 2.823 1.00 1.00 C ATOM 137 O LYS A 22 -7.273 6.854 2.786 1.00 1.00 O ATOM 138 CB LYS A 22 -9.851 8.097 2.371 1.00 1.00 C ATOM 139 CG LYS A 22 -11.174 8.842 2.470 1.00 1.00 C ATOM 140 CD LYS A 22 -12.150 8.128 3.393 1.00 1.00 C ATOM 141 CE LYS A 22 -13.324 7.542 2.623 1.00 1.00 C ATOM 142 NZ LYS A 22 -13.579 6.123 2.996 1.00 1.00 N ATOM 0 H LYS A 22 -8.636 10.695 3.899 1.00 1.00 H new ATOM 0 HA LYS A 22 -8.923 8.518 4.264 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -9.537 8.069 1.327 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -10.001 7.064 2.686 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -10.997 9.852 2.838 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -11.614 8.937 1.477 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -11.631 7.332 3.927 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -12.519 8.827 4.144 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -14.218 8.135 2.817 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -13.125 7.606 1.553 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -14.600 5.931 2.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -13.081 5.495 2.334 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -13.234 5.951 3.962 1.00 1.00 H new ATOM 156 N LEU A 23 -6.409 8.914 2.532 1.00 1.00 N ATOM 157 CA LEU A 23 -5.088 8.429 2.143 1.00 1.00 C ATOM 158 C LEU A 23 -4.399 7.727 3.308 1.00 1.00 C ATOM 159 O LEU A 23 -4.860 7.786 4.448 1.00 1.00 O ATOM 160 CB LEU A 23 -4.195 9.576 1.645 1.00 1.00 C ATOM 161 CG LEU A 23 -4.923 10.790 1.054 1.00 1.00 C ATOM 162 CD1 LEU A 23 -4.856 11.970 2.012 1.00 1.00 C ATOM 163 CD2 LEU A 23 -4.324 11.170 -0.294 1.00 1.00 C ATOM 0 H LEU A 23 -6.495 9.930 2.558 1.00 1.00 H new ATOM 0 HA LEU A 23 -5.236 7.718 1.330 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -3.579 9.917 2.477 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -3.518 9.180 0.888 1.00 1.00 H new ATOM 0 HG LEU A 23 -5.969 10.522 0.905 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -5.377 12.822 1.576 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -5.328 11.699 2.956 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -3.814 12.235 2.191 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -4.854 12.033 -0.697 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -3.270 11.418 -0.167 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -4.419 10.331 -0.984 1.00 1.00 H new ATOM 175 N VAL A 24 -3.282 7.074 3.009 1.00 1.00 N ATOM 176 CA VAL A 24 -2.508 6.371 4.021 1.00 1.00 C ATOM 177 C VAL A 24 -1.100 6.957 4.103 1.00 1.00 C ATOM 178 O VAL A 24 -0.653 7.632 3.176 1.00 1.00 O ATOM 179 CB VAL A 24 -2.423 4.857 3.731 1.00 1.00 C ATOM 180 CG1 VAL A 24 -3.634 4.138 4.306 1.00 1.00 C ATOM 181 CG2 VAL A 24 -2.301 4.591 2.236 1.00 1.00 C ATOM 0 H VAL A 24 -2.892 7.018 2.068 1.00 1.00 H new ATOM 0 HA VAL A 24 -3.020 6.502 4.975 1.00 1.00 H new ATOM 0 HB VAL A 24 -1.526 4.469 4.214 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -3.559 3.072 4.093 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -3.670 4.291 5.385 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -4.542 4.535 3.853 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -2.243 3.517 2.061 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -3.173 4.996 1.722 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -1.400 5.070 1.854 1.00 1.00 H new ATOM 191 N GLN A 25 -0.404 6.714 5.211 1.00 1.00 N ATOM 192 CA GLN A 25 0.943 7.245 5.384 1.00 1.00 C ATOM 193 C GLN A 25 1.948 6.132 5.679 1.00 1.00 C ATOM 194 O GLN A 25 2.122 5.729 6.829 1.00 1.00 O ATOM 195 CB GLN A 25 0.957 8.278 6.513 1.00 1.00 C ATOM 196 CG GLN A 25 2.328 8.879 6.779 1.00 1.00 C ATOM 197 CD GLN A 25 2.503 10.240 6.134 1.00 1.00 C ATOM 198 OE1 GLN A 25 3.387 10.436 5.300 1.00 1.00 O ATOM 199 NE2 GLN A 25 1.659 11.190 6.519 1.00 1.00 N ATOM 0 H GLN A 25 -0.747 6.158 5.995 1.00 1.00 H new ATOM 0 HA GLN A 25 1.238 7.725 4.451 1.00 1.00 H new ATOM 0 HB2 GLN A 25 0.261 9.080 6.268 1.00 1.00 H new ATOM 0 HB3 GLN A 25 0.593 7.808 7.427 1.00 1.00 H new ATOM 0 HG2 GLN A 25 2.479 8.969 7.855 1.00 1.00 H new ATOM 0 HG3 GLN A 25 3.096 8.202 6.405 1.00 1.00 H new ATOM 0 HE21 GLN A 25 0.941 10.984 7.213 1.00 1.00 H new ATOM 0 HE22 GLN A 25 1.729 12.126 6.120 1.00 1.00 H new ATOM 208 N PRO A 26 2.631 5.624 4.637 1.00 1.00 N ATOM 209 CA PRO A 26 3.629 4.558 4.785 1.00 1.00 C ATOM 210 C PRO A 26 4.777 4.966 5.700 1.00 1.00 C ATOM 211 O PRO A 26 5.183 6.128 5.721 1.00 1.00 O ATOM 212 CB PRO A 26 4.147 4.345 3.357 1.00 1.00 C ATOM 213 CG PRO A 26 3.077 4.893 2.477 1.00 1.00 C ATOM 214 CD PRO A 26 2.486 6.047 3.233 1.00 1.00 C ATOM 0 HA PRO A 26 3.199 3.664 5.236 1.00 1.00 H new ATOM 0 HB2 PRO A 26 5.093 4.863 3.198 1.00 1.00 H new ATOM 0 HB3 PRO A 26 4.324 3.289 3.154 1.00 1.00 H new ATOM 0 HG2 PRO A 26 3.485 5.219 1.520 1.00 1.00 H new ATOM 0 HG3 PRO A 26 2.322 4.137 2.261 1.00 1.00 H new ATOM 0 HD2 PRO A 26 3.019 6.977 3.033 1.00 1.00 H new ATOM 0 HD3 PRO A 26 1.442 6.214 2.966 1.00 1.00 H new ATOM 222 N THR A 27 5.303 4.003 6.447 1.00 1.00 N ATOM 223 CA THR A 27 6.413 4.266 7.354 1.00 1.00 C ATOM 224 C THR A 27 7.639 4.728 6.570 1.00 1.00 C ATOM 225 O THR A 27 7.714 4.537 5.357 1.00 1.00 O ATOM 226 CB THR A 27 6.748 3.010 8.160 1.00 1.00 C ATOM 227 OG1 THR A 27 6.541 1.845 7.382 1.00 1.00 O ATOM 228 CG2 THR A 27 5.924 2.872 9.422 1.00 1.00 C ATOM 0 H THR A 27 4.980 3.036 6.443 1.00 1.00 H new ATOM 0 HA THR A 27 6.118 5.057 8.043 1.00 1.00 H new ATOM 0 HB THR A 27 7.796 3.117 8.439 1.00 1.00 H new ATOM 0 HG1 THR A 27 6.447 1.069 7.973 1.00 1.00 H new ATOM 0 HG21 THR A 27 6.211 1.961 9.946 1.00 1.00 H new ATOM 0 HG22 THR A 27 6.100 3.733 10.067 1.00 1.00 H new ATOM 0 HG23 THR A 27 4.866 2.823 9.163 1.00 1.00 H new ATOM 236 N PRO A 28 8.620 5.345 7.251 1.00 1.00 N ATOM 237 CA PRO A 28 9.842 5.831 6.608 1.00 1.00 C ATOM 238 C PRO A 28 10.457 4.786 5.681 1.00 1.00 C ATOM 239 O PRO A 28 11.051 5.122 4.657 1.00 1.00 O ATOM 240 CB PRO A 28 10.787 6.137 7.781 1.00 1.00 C ATOM 241 CG PRO A 28 10.092 5.647 9.011 1.00 1.00 C ATOM 242 CD PRO A 28 8.625 5.617 8.691 1.00 1.00 C ATOM 0 HA PRO A 28 9.648 6.698 5.977 1.00 1.00 H new ATOM 0 HB2 PRO A 28 11.746 5.636 7.650 1.00 1.00 H new ATOM 0 HB3 PRO A 28 10.992 7.206 7.848 1.00 1.00 H new ATOM 0 HG2 PRO A 28 10.449 4.655 9.288 1.00 1.00 H new ATOM 0 HG3 PRO A 28 10.291 6.305 9.857 1.00 1.00 H new ATOM 0 HD2 PRO A 28 8.103 4.842 9.252 1.00 1.00 H new ATOM 0 HD3 PRO A 28 8.139 6.564 8.927 1.00 1.00 H new ATOM 250 N LEU A 29 10.301 3.517 6.045 1.00 1.00 N ATOM 251 CA LEU A 29 10.833 2.422 5.243 1.00 1.00 C ATOM 252 C LEU A 29 10.015 2.248 3.968 1.00 1.00 C ATOM 253 O LEU A 29 10.535 2.387 2.859 1.00 1.00 O ATOM 254 CB LEU A 29 10.828 1.123 6.051 1.00 1.00 C ATOM 255 CG LEU A 29 11.325 -0.111 5.296 1.00 1.00 C ATOM 256 CD1 LEU A 29 12.697 0.148 4.693 1.00 1.00 C ATOM 257 CD2 LEU A 29 11.367 -1.316 6.222 1.00 1.00 C ATOM 0 H LEU A 29 9.811 3.222 6.890 1.00 1.00 H new ATOM 0 HA LEU A 29 11.860 2.663 4.968 1.00 1.00 H new ATOM 0 HB2 LEU A 29 11.447 1.262 6.937 1.00 1.00 H new ATOM 0 HB3 LEU A 29 9.812 0.933 6.398 1.00 1.00 H new ATOM 0 HG LEU A 29 10.630 -0.323 4.484 1.00 1.00 H new ATOM 0 HD11 LEU A 29 13.034 -0.741 4.160 1.00 1.00 H new ATOM 0 HD12 LEU A 29 12.637 0.986 3.999 1.00 1.00 H new ATOM 0 HD13 LEU A 29 13.405 0.385 5.487 1.00 1.00 H new ATOM 0 HD21 LEU A 29 11.723 -2.186 5.671 1.00 1.00 H new ATOM 0 HD22 LEU A 29 12.042 -1.113 7.053 1.00 1.00 H new ATOM 0 HD23 LEU A 29 10.367 -1.514 6.607 1.00 1.00 H new ATOM 269 N LEU A 30 8.728 1.955 4.133 1.00 1.00 N ATOM 270 CA LEU A 30 7.835 1.775 2.994 1.00 1.00 C ATOM 271 C LEU A 30 7.901 2.989 2.074 1.00 1.00 C ATOM 272 O LEU A 30 7.803 2.866 0.854 1.00 1.00 O ATOM 273 CB LEU A 30 6.397 1.556 3.475 1.00 1.00 C ATOM 274 CG LEU A 30 5.406 1.109 2.396 1.00 1.00 C ATOM 275 CD1 LEU A 30 6.007 0.008 1.534 1.00 1.00 C ATOM 276 CD2 LEU A 30 4.106 0.638 3.032 1.00 1.00 C ATOM 0 H LEU A 30 8.282 1.838 5.043 1.00 1.00 H new ATOM 0 HA LEU A 30 8.156 0.895 2.437 1.00 1.00 H new ATOM 0 HB2 LEU A 30 6.407 0.808 4.268 1.00 1.00 H new ATOM 0 HB3 LEU A 30 6.034 2.484 3.916 1.00 1.00 H new ATOM 0 HG LEU A 30 5.190 1.964 1.755 1.00 1.00 H new ATOM 0 HD11 LEU A 30 5.286 -0.294 0.775 1.00 1.00 H new ATOM 0 HD12 LEU A 30 6.911 0.378 1.050 1.00 1.00 H new ATOM 0 HD13 LEU A 30 6.255 -0.849 2.160 1.00 1.00 H new ATOM 0 HD21 LEU A 30 3.412 0.324 2.252 1.00 1.00 H new ATOM 0 HD22 LEU A 30 4.309 -0.202 3.697 1.00 1.00 H new ATOM 0 HD23 LEU A 30 3.664 1.454 3.603 1.00 1.00 H new ATOM 288 N LEU A 31 8.078 4.161 2.677 1.00 1.00 N ATOM 289 CA LEU A 31 8.170 5.411 1.931 1.00 1.00 C ATOM 290 C LEU A 31 9.223 5.320 0.828 1.00 1.00 C ATOM 291 O LEU A 31 8.905 5.431 -0.356 1.00 1.00 O ATOM 292 CB LEU A 31 8.510 6.564 2.881 1.00 1.00 C ATOM 293 CG LEU A 31 7.354 7.517 3.182 1.00 1.00 C ATOM 294 CD1 LEU A 31 7.782 8.576 4.186 1.00 1.00 C ATOM 295 CD2 LEU A 31 6.853 8.166 1.900 1.00 1.00 C ATOM 0 H LEU A 31 8.161 4.271 3.688 1.00 1.00 H new ATOM 0 HA LEU A 31 7.203 5.598 1.464 1.00 1.00 H new ATOM 0 HB2 LEU A 31 8.870 6.146 3.821 1.00 1.00 H new ATOM 0 HB3 LEU A 31 9.331 7.138 2.452 1.00 1.00 H new ATOM 0 HG LEU A 31 6.538 6.942 3.619 1.00 1.00 H new ATOM 0 HD11 LEU A 31 6.946 9.245 4.388 1.00 1.00 H new ATOM 0 HD12 LEU A 31 8.093 8.094 5.113 1.00 1.00 H new ATOM 0 HD13 LEU A 31 8.615 9.149 3.778 1.00 1.00 H new ATOM 0 HD21 LEU A 31 6.030 8.842 2.132 1.00 1.00 H new ATOM 0 HD22 LEU A 31 7.664 8.728 1.436 1.00 1.00 H new ATOM 0 HD23 LEU A 31 6.506 7.394 1.213 1.00 1.00 H new ATOM 307 N SER A 32 10.478 5.120 1.225 1.00 1.00 N ATOM 308 CA SER A 32 11.582 5.017 0.271 1.00 1.00 C ATOM 309 C SER A 32 11.232 4.076 -0.879 1.00 1.00 C ATOM 310 O SER A 32 11.539 4.359 -2.036 1.00 1.00 O ATOM 311 CB SER A 32 12.850 4.531 0.976 1.00 1.00 C ATOM 312 OG SER A 32 14.006 5.128 0.416 1.00 1.00 O ATOM 0 H SER A 32 10.757 5.026 2.202 1.00 1.00 H new ATOM 0 HA SER A 32 11.760 6.010 -0.142 1.00 1.00 H new ATOM 0 HB2 SER A 32 12.793 4.768 2.038 1.00 1.00 H new ATOM 0 HB3 SER A 32 12.922 3.446 0.895 1.00 1.00 H new ATOM 0 HG SER A 32 14.802 4.802 0.885 1.00 1.00 H new ATOM 318 N LEU A 33 10.577 2.960 -0.564 1.00 1.00 N ATOM 319 CA LEU A 33 10.185 2.007 -1.601 1.00 1.00 C ATOM 320 C LEU A 33 9.354 2.720 -2.661 1.00 1.00 C ATOM 321 O LEU A 33 9.440 2.414 -3.850 1.00 1.00 O ATOM 322 CB LEU A 33 9.390 0.836 -1.014 1.00 1.00 C ATOM 323 CG LEU A 33 9.781 0.417 0.407 1.00 1.00 C ATOM 324 CD1 LEU A 33 9.039 -0.847 0.812 1.00 1.00 C ATOM 325 CD2 LEU A 33 11.286 0.209 0.508 1.00 1.00 C ATOM 0 H LEU A 33 10.310 2.696 0.384 1.00 1.00 H new ATOM 0 HA LEU A 33 11.091 1.602 -2.053 1.00 1.00 H new ATOM 0 HB2 LEU A 33 8.332 1.100 -1.018 1.00 1.00 H new ATOM 0 HB3 LEU A 33 9.506 -0.025 -1.672 1.00 1.00 H new ATOM 0 HG LEU A 33 9.499 1.217 1.092 1.00 1.00 H new ATOM 0 HD11 LEU A 33 9.329 -1.130 1.824 1.00 1.00 H new ATOM 0 HD12 LEU A 33 7.965 -0.665 0.780 1.00 1.00 H new ATOM 0 HD13 LEU A 33 9.291 -1.653 0.123 1.00 1.00 H new ATOM 0 HD21 LEU A 33 11.545 -0.088 1.524 1.00 1.00 H new ATOM 0 HD22 LEU A 33 11.593 -0.572 -0.188 1.00 1.00 H new ATOM 0 HD23 LEU A 33 11.799 1.138 0.260 1.00 1.00 H new ATOM 337 N LEU A 34 8.570 3.698 -2.214 1.00 1.00 N ATOM 338 CA LEU A 34 7.742 4.491 -3.112 1.00 1.00 C ATOM 339 C LEU A 34 8.609 5.524 -3.819 1.00 1.00 C ATOM 340 O LEU A 34 8.384 5.858 -4.982 1.00 1.00 O ATOM 341 CB LEU A 34 6.622 5.191 -2.334 1.00 1.00 C ATOM 342 CG LEU A 34 5.873 4.307 -1.336 1.00 1.00 C ATOM 343 CD1 LEU A 34 5.075 5.158 -0.361 1.00 1.00 C ATOM 344 CD2 LEU A 34 4.963 3.334 -2.070 1.00 1.00 C ATOM 0 H LEU A 34 8.492 3.959 -1.231 1.00 1.00 H new ATOM 0 HA LEU A 34 7.287 3.831 -3.850 1.00 1.00 H new ATOM 0 HB2 LEU A 34 7.049 6.038 -1.796 1.00 1.00 H new ATOM 0 HB3 LEU A 34 5.904 5.596 -3.047 1.00 1.00 H new ATOM 0 HG LEU A 34 6.603 3.733 -0.766 1.00 1.00 H new ATOM 0 HD11 LEU A 34 4.549 4.511 0.341 1.00 1.00 H new ATOM 0 HD12 LEU A 34 5.751 5.814 0.187 1.00 1.00 H new ATOM 0 HD13 LEU A 34 4.352 5.760 -0.911 1.00 1.00 H new ATOM 0 HD21 LEU A 34 4.437 2.712 -1.346 1.00 1.00 H new ATOM 0 HD22 LEU A 34 4.239 3.891 -2.664 1.00 1.00 H new ATOM 0 HD23 LEU A 34 5.561 2.701 -2.726 1.00 1.00 H new ATOM 356 N LYS A 35 9.615 6.015 -3.099 1.00 1.00 N ATOM 357 CA LYS A 35 10.542 7.002 -3.636 1.00 1.00 C ATOM 358 C LYS A 35 11.209 6.476 -4.903 1.00 1.00 C ATOM 359 O LYS A 35 11.521 7.239 -5.818 1.00 1.00 O ATOM 360 CB LYS A 35 11.605 7.345 -2.587 1.00 1.00 C ATOM 361 CG LYS A 35 11.207 8.470 -1.643 1.00 1.00 C ATOM 362 CD LYS A 35 9.816 8.261 -1.065 1.00 1.00 C ATOM 363 CE LYS A 35 9.335 9.492 -0.314 1.00 1.00 C ATOM 364 NZ LYS A 35 10.256 9.861 0.795 1.00 1.00 N ATOM 0 H LYS A 35 9.808 5.741 -2.135 1.00 1.00 H new ATOM 0 HA LYS A 35 9.984 7.904 -3.887 1.00 1.00 H new ATOM 0 HB2 LYS A 35 11.822 6.452 -2.000 1.00 1.00 H new ATOM 0 HB3 LYS A 35 12.527 7.623 -3.097 1.00 1.00 H new ATOM 0 HG2 LYS A 35 11.931 8.536 -0.831 1.00 1.00 H new ATOM 0 HG3 LYS A 35 11.239 9.420 -2.177 1.00 1.00 H new ATOM 0 HD2 LYS A 35 9.118 8.028 -1.869 1.00 1.00 H new ATOM 0 HD3 LYS A 35 9.825 7.403 -0.392 1.00 1.00 H new ATOM 0 HE2 LYS A 35 9.248 10.329 -1.007 1.00 1.00 H new ATOM 0 HE3 LYS A 35 8.339 9.306 0.088 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 9.835 10.630 1.355 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 10.413 9.034 1.406 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 11.165 10.178 0.401 1.00 1.00 H new ATOM 378 N SER A 36 11.420 5.164 -4.948 1.00 1.00 N ATOM 379 CA SER A 36 12.044 4.526 -6.101 1.00 1.00 C ATOM 380 C SER A 36 10.988 4.006 -7.073 1.00 1.00 C ATOM 381 O SER A 36 11.263 3.815 -8.258 1.00 1.00 O ATOM 382 CB SER A 36 12.949 3.378 -5.647 1.00 1.00 C ATOM 383 OG SER A 36 14.243 3.494 -6.211 1.00 1.00 O ATOM 0 H SER A 36 11.167 4.521 -4.197 1.00 1.00 H new ATOM 0 HA SER A 36 12.648 5.273 -6.616 1.00 1.00 H new ATOM 0 HB2 SER A 36 13.022 3.377 -4.559 1.00 1.00 H new ATOM 0 HB3 SER A 36 12.506 2.425 -5.938 1.00 1.00 H new ATOM 0 HG SER A 36 14.915 3.253 -5.540 1.00 1.00 H new ATOM 389 N ALA A 37 9.778 3.781 -6.566 1.00 1.00 N ATOM 390 CA ALA A 37 8.683 3.285 -7.391 1.00 1.00 C ATOM 391 C ALA A 37 8.004 4.418 -8.162 1.00 1.00 C ATOM 392 O ALA A 37 7.023 4.192 -8.871 1.00 1.00 O ATOM 393 CB ALA A 37 7.666 2.549 -6.528 1.00 1.00 C ATOM 0 H ALA A 37 9.533 3.935 -5.588 1.00 1.00 H new ATOM 0 HA ALA A 37 9.101 2.591 -8.120 1.00 1.00 H new ATOM 0 HB1 ALA A 37 6.853 2.183 -7.155 1.00 1.00 H new ATOM 0 HB2 ALA A 37 8.150 1.707 -6.034 1.00 1.00 H new ATOM 0 HB3 ALA A 37 7.266 3.230 -5.776 1.00 1.00 H new ATOM 399 N GLY A 38 8.524 5.636 -8.019 1.00 1.00 N ATOM 400 CA GLY A 38 7.944 6.773 -8.709 1.00 1.00 C ATOM 401 C GLY A 38 7.057 7.598 -7.800 1.00 1.00 C ATOM 402 O GLY A 38 6.014 8.097 -8.221 1.00 1.00 O ATOM 0 H GLY A 38 9.334 5.853 -7.439 1.00 1.00 H new ATOM 0 HA2 GLY A 38 8.741 7.402 -9.105 1.00 1.00 H new ATOM 0 HA3 GLY A 38 7.362 6.421 -9.561 1.00 1.00 H new ATOM 406 N ALA A 39 7.474 7.734 -6.546 1.00 1.00 N ATOM 407 CA ALA A 39 6.715 8.494 -5.563 1.00 1.00 C ATOM 408 C ALA A 39 7.496 9.731 -5.104 1.00 1.00 C ATOM 409 O ALA A 39 8.725 9.701 -5.046 1.00 1.00 O ATOM 410 CB ALA A 39 6.378 7.610 -4.374 1.00 1.00 C ATOM 0 H ALA A 39 8.337 7.326 -6.187 1.00 1.00 H new ATOM 0 HA ALA A 39 5.790 8.834 -6.028 1.00 1.00 H new ATOM 0 HB1 ALA A 39 5.810 8.185 -3.642 1.00 1.00 H new ATOM 0 HB2 ALA A 39 5.783 6.761 -4.709 1.00 1.00 H new ATOM 0 HB3 ALA A 39 7.299 7.249 -3.916 1.00 1.00 H new ATOM 416 N GLN A 40 6.791 10.820 -4.778 1.00 1.00 N ATOM 417 CA GLN A 40 7.450 12.043 -4.332 1.00 1.00 C ATOM 418 C GLN A 40 7.005 12.423 -2.923 1.00 1.00 C ATOM 419 O GLN A 40 7.804 12.416 -1.986 1.00 1.00 O ATOM 420 CB GLN A 40 7.152 13.189 -5.301 1.00 1.00 C ATOM 421 CG GLN A 40 7.503 12.870 -6.745 1.00 1.00 C ATOM 422 CD GLN A 40 8.976 13.065 -7.044 1.00 1.00 C ATOM 423 OE1 GLN A 40 9.796 13.179 -6.133 1.00 1.00 O ATOM 424 NE2 GLN A 40 9.320 13.105 -8.326 1.00 1.00 N ATOM 0 H GLN A 40 5.773 10.876 -4.815 1.00 1.00 H new ATOM 0 HA GLN A 40 8.524 11.860 -4.314 1.00 1.00 H new ATOM 0 HB2 GLN A 40 6.093 13.440 -5.240 1.00 1.00 H new ATOM 0 HB3 GLN A 40 7.707 14.073 -4.987 1.00 1.00 H new ATOM 0 HG2 GLN A 40 7.225 11.839 -6.963 1.00 1.00 H new ATOM 0 HG3 GLN A 40 6.915 13.505 -7.407 1.00 1.00 H new ATOM 0 HE21 GLN A 40 8.607 13.006 -9.049 1.00 1.00 H new ATOM 0 HE22 GLN A 40 10.297 13.234 -8.588 1.00 1.00 H new ATOM 433 N LYS A 41 5.725 12.759 -2.779 1.00 1.00 N ATOM 434 CA LYS A 41 5.175 13.147 -1.483 1.00 1.00 C ATOM 435 C LYS A 41 5.455 12.084 -0.424 1.00 1.00 C ATOM 436 O LYS A 41 6.071 11.057 -0.708 1.00 1.00 O ATOM 437 CB LYS A 41 3.667 13.388 -1.592 1.00 1.00 C ATOM 438 CG LYS A 41 2.895 12.201 -2.146 1.00 1.00 C ATOM 439 CD LYS A 41 2.704 12.310 -3.650 1.00 1.00 C ATOM 440 CE LYS A 41 1.379 11.706 -4.088 1.00 1.00 C ATOM 441 NZ LYS A 41 1.499 10.985 -5.385 1.00 1.00 N ATOM 0 H LYS A 41 5.050 12.770 -3.544 1.00 1.00 H new ATOM 0 HA LYS A 41 5.664 14.072 -1.178 1.00 1.00 H new ATOM 0 HB2 LYS A 41 3.276 13.636 -0.605 1.00 1.00 H new ATOM 0 HB3 LYS A 41 3.492 14.254 -2.231 1.00 1.00 H new ATOM 0 HG2 LYS A 41 3.427 11.279 -1.912 1.00 1.00 H new ATOM 0 HG3 LYS A 41 1.922 12.140 -1.659 1.00 1.00 H new ATOM 0 HD2 LYS A 41 2.744 13.358 -3.948 1.00 1.00 H new ATOM 0 HD3 LYS A 41 3.523 11.802 -4.160 1.00 1.00 H new ATOM 0 HE2 LYS A 41 1.023 11.018 -3.322 1.00 1.00 H new ATOM 0 HE3 LYS A 41 0.633 12.495 -4.179 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 0.707 10.319 -5.487 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 1.478 11.671 -6.167 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 2.397 10.461 -5.409 1.00 1.00 H new ATOM 455 N GLU A 42 5.002 12.342 0.799 1.00 1.00 N ATOM 456 CA GLU A 42 5.206 11.410 1.904 1.00 1.00 C ATOM 457 C GLU A 42 3.967 10.552 2.137 1.00 1.00 C ATOM 458 O GLU A 42 4.064 9.427 2.627 1.00 1.00 O ATOM 459 CB GLU A 42 5.559 12.173 3.182 1.00 1.00 C ATOM 460 CG GLU A 42 6.592 13.268 2.972 1.00 1.00 C ATOM 461 CD GLU A 42 5.962 14.611 2.655 1.00 1.00 C ATOM 462 OE1 GLU A 42 5.291 15.176 3.544 1.00 1.00 O ATOM 463 OE2 GLU A 42 6.141 15.097 1.519 1.00 1.00 O ATOM 0 H GLU A 42 4.491 13.188 1.050 1.00 1.00 H new ATOM 0 HA GLU A 42 6.033 10.751 1.639 1.00 1.00 H new ATOM 0 HB2 GLU A 42 4.652 12.615 3.593 1.00 1.00 H new ATOM 0 HB3 GLU A 42 5.935 11.468 3.924 1.00 1.00 H new ATOM 0 HG2 GLU A 42 7.205 13.361 3.869 1.00 1.00 H new ATOM 0 HG3 GLU A 42 7.259 12.982 2.158 1.00 1.00 H new ATOM 470 N THR A 43 2.802 11.086 1.783 1.00 1.00 N ATOM 471 CA THR A 43 1.547 10.360 1.957 1.00 1.00 C ATOM 472 C THR A 43 1.011 9.879 0.613 1.00 1.00 C ATOM 473 O THR A 43 1.310 10.460 -0.428 1.00 1.00 O ATOM 474 CB THR A 43 0.507 11.243 2.647 1.00 1.00 C ATOM 475 OG1 THR A 43 1.122 12.366 3.255 1.00 1.00 O ATOM 476 CG2 THR A 43 -0.281 10.517 3.715 1.00 1.00 C ATOM 0 H THR A 43 2.700 12.015 1.375 1.00 1.00 H new ATOM 0 HA THR A 43 1.744 9.491 2.585 1.00 1.00 H new ATOM 0 HB THR A 43 -0.179 11.549 1.857 1.00 1.00 H new ATOM 0 HG1 THR A 43 0.439 12.918 3.689 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.001 11.201 4.164 1.00 1.00 H new ATOM 0 HG22 THR A 43 -0.810 9.675 3.268 1.00 1.00 H new ATOM 0 HG23 THR A 43 0.400 10.151 4.483 1.00 1.00 H new ATOM 484 N PHE A 44 0.221 8.812 0.643 1.00 1.00 N ATOM 485 CA PHE A 44 -0.350 8.255 -0.577 1.00 1.00 C ATOM 486 C PHE A 44 -1.635 7.490 -0.283 1.00 1.00 C ATOM 487 O PHE A 44 -1.766 6.856 0.764 1.00 1.00 O ATOM 488 CB PHE A 44 0.651 7.315 -1.250 1.00 1.00 C ATOM 489 CG PHE A 44 1.994 7.931 -1.510 1.00 1.00 C ATOM 490 CD1 PHE A 44 2.963 7.953 -0.520 1.00 1.00 C ATOM 491 CD2 PHE A 44 2.292 8.475 -2.748 1.00 1.00 C ATOM 492 CE1 PHE A 44 4.205 8.508 -0.760 1.00 1.00 C ATOM 493 CE2 PHE A 44 3.532 9.034 -2.992 1.00 1.00 C ATOM 494 CZ PHE A 44 4.489 9.049 -1.997 1.00 1.00 C ATOM 0 H PHE A 44 -0.038 8.317 1.496 1.00 1.00 H new ATOM 0 HA PHE A 44 -0.580 9.086 -1.244 1.00 1.00 H new ATOM 0 HB2 PHE A 44 0.783 6.434 -0.622 1.00 1.00 H new ATOM 0 HB3 PHE A 44 0.231 6.973 -2.196 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.745 7.532 0.450 1.00 1.00 H new ATOM 0 HD2 PHE A 44 1.548 8.462 -3.531 1.00 1.00 H new ATOM 0 HE1 PHE A 44 4.953 8.518 0.019 1.00 1.00 H new ATOM 0 HE2 PHE A 44 3.752 9.459 -3.960 1.00 1.00 H new ATOM 0 HZ PHE A 44 5.459 9.484 -2.187 1.00 1.00 H new ATOM 504 N THR A 45 -2.573 7.535 -1.223 1.00 1.00 N ATOM 505 CA THR A 45 -3.835 6.826 -1.070 1.00 1.00 C ATOM 506 C THR A 45 -3.635 5.344 -1.361 1.00 1.00 C ATOM 507 O THR A 45 -2.738 4.969 -2.117 1.00 1.00 O ATOM 508 CB THR A 45 -4.896 7.408 -2.007 1.00 1.00 C ATOM 509 OG1 THR A 45 -4.355 7.639 -3.296 1.00 1.00 O ATOM 510 CG2 THR A 45 -5.481 8.714 -1.514 1.00 1.00 C ATOM 0 H THR A 45 -2.482 8.054 -2.096 1.00 1.00 H new ATOM 0 HA THR A 45 -4.180 6.945 -0.043 1.00 1.00 H new ATOM 0 HB THR A 45 -5.691 6.663 -2.040 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.049 8.009 -3.880 1.00 1.00 H new ATOM 0 HG21 THR A 45 -6.226 9.071 -2.225 1.00 1.00 H new ATOM 0 HG22 THR A 45 -5.952 8.558 -0.543 1.00 1.00 H new ATOM 0 HG23 THR A 45 -4.687 9.455 -1.418 1.00 1.00 H new ATOM 518 N MET A 46 -4.461 4.503 -0.747 1.00 1.00 N ATOM 519 CA MET A 46 -4.363 3.060 -0.927 1.00 1.00 C ATOM 520 C MET A 46 -4.157 2.679 -2.392 1.00 1.00 C ATOM 521 O MET A 46 -3.531 1.664 -2.691 1.00 1.00 O ATOM 522 CB MET A 46 -5.610 2.376 -0.374 1.00 1.00 C ATOM 523 CG MET A 46 -5.286 1.195 0.518 1.00 1.00 C ATOM 524 SD MET A 46 -4.896 1.682 2.207 1.00 1.00 S ATOM 525 CE MET A 46 -3.183 1.166 2.307 1.00 1.00 C ATOM 0 H MET A 46 -5.208 4.798 -0.118 1.00 1.00 H new ATOM 0 HA MET A 46 -3.488 2.718 -0.375 1.00 1.00 H new ATOM 0 HB2 MET A 46 -6.196 3.101 0.190 1.00 1.00 H new ATOM 0 HB3 MET A 46 -6.232 2.039 -1.203 1.00 1.00 H new ATOM 0 HG2 MET A 46 -6.134 0.510 0.529 1.00 1.00 H new ATOM 0 HG3 MET A 46 -4.441 0.649 0.098 1.00 1.00 H new ATOM 0 HE1 MET A 46 -2.609 1.914 2.854 1.00 1.00 H new ATOM 0 HE2 MET A 46 -3.121 0.209 2.826 1.00 1.00 H new ATOM 0 HE3 MET A 46 -2.775 1.061 1.302 1.00 1.00 H new ATOM 535 N LYS A 47 -4.678 3.493 -3.302 1.00 1.00 N ATOM 536 CA LYS A 47 -4.534 3.223 -4.728 1.00 1.00 C ATOM 537 C LYS A 47 -3.107 3.499 -5.188 1.00 1.00 C ATOM 538 O LYS A 47 -2.481 2.660 -5.835 1.00 1.00 O ATOM 539 CB LYS A 47 -5.520 4.070 -5.536 1.00 1.00 C ATOM 540 CG LYS A 47 -6.980 3.783 -5.215 1.00 1.00 C ATOM 541 CD LYS A 47 -7.296 2.296 -5.303 1.00 1.00 C ATOM 542 CE LYS A 47 -6.924 1.723 -6.662 1.00 1.00 C ATOM 543 NZ LYS A 47 -7.467 0.349 -6.856 1.00 1.00 N ATOM 0 H LYS A 47 -5.201 4.340 -3.081 1.00 1.00 H new ATOM 0 HA LYS A 47 -4.755 2.169 -4.898 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -5.317 5.125 -5.350 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -5.350 3.895 -6.598 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -7.210 4.145 -4.213 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -7.619 4.332 -5.907 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -6.755 1.762 -4.522 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -8.359 2.138 -5.120 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -7.303 2.377 -7.447 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -5.839 1.701 -6.762 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -7.191 -0.004 -7.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -7.086 -0.282 -6.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.504 0.373 -6.787 1.00 1.00 H new ATOM 557 N GLU A 48 -2.593 4.676 -4.845 1.00 1.00 N ATOM 558 CA GLU A 48 -1.234 5.049 -5.220 1.00 1.00 C ATOM 559 C GLU A 48 -0.224 4.136 -4.537 1.00 1.00 C ATOM 560 O GLU A 48 0.689 3.614 -5.177 1.00 1.00 O ATOM 561 CB GLU A 48 -0.953 6.506 -4.849 1.00 1.00 C ATOM 562 CG GLU A 48 -2.062 7.464 -5.255 1.00 1.00 C ATOM 563 CD GLU A 48 -1.597 8.507 -6.254 1.00 1.00 C ATOM 564 OE1 GLU A 48 -0.669 9.274 -5.923 1.00 1.00 O ATOM 565 OE2 GLU A 48 -2.162 8.556 -7.367 1.00 1.00 O ATOM 0 H GLU A 48 -3.095 5.385 -4.310 1.00 1.00 H new ATOM 0 HA GLU A 48 -1.137 4.938 -6.300 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -0.802 6.575 -3.772 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -0.023 6.819 -5.322 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -2.887 6.897 -5.686 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -2.448 7.964 -4.367 1.00 1.00 H new ATOM 572 N VAL A 49 -0.400 3.937 -3.233 1.00 1.00 N ATOM 573 CA VAL A 49 0.493 3.077 -2.462 1.00 1.00 C ATOM 574 C VAL A 49 0.595 1.699 -3.103 1.00 1.00 C ATOM 575 O VAL A 49 1.665 1.285 -3.550 1.00 1.00 O ATOM 576 CB VAL A 49 0.010 2.912 -1.007 1.00 1.00 C ATOM 577 CG1 VAL A 49 1.089 2.257 -0.159 1.00 1.00 C ATOM 578 CG2 VAL A 49 -0.403 4.254 -0.416 1.00 1.00 C ATOM 0 H VAL A 49 -1.152 4.359 -2.689 1.00 1.00 H new ATOM 0 HA VAL A 49 1.471 3.559 -2.456 1.00 1.00 H new ATOM 0 HB VAL A 49 -0.866 2.263 -1.009 1.00 1.00 H new ATOM 0 HG11 VAL A 49 0.731 2.148 0.865 1.00 1.00 H new ATOM 0 HG12 VAL A 49 1.326 1.274 -0.567 1.00 1.00 H new ATOM 0 HG13 VAL A 49 1.985 2.878 -0.166 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -0.740 4.111 0.611 1.00 1.00 H new ATOM 0 HG22 VAL A 49 0.449 4.934 -0.427 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -1.214 4.678 -1.008 1.00 1.00 H new ATOM 588 N LEU A 50 -0.531 0.997 -3.149 1.00 1.00 N ATOM 589 CA LEU A 50 -0.585 -0.334 -3.740 1.00 1.00 C ATOM 590 C LEU A 50 -0.070 -0.315 -5.178 1.00 1.00 C ATOM 591 O LEU A 50 0.399 -1.329 -5.694 1.00 1.00 O ATOM 592 CB LEU A 50 -2.021 -0.861 -3.705 1.00 1.00 C ATOM 593 CG LEU A 50 -2.166 -2.308 -3.237 1.00 1.00 C ATOM 594 CD1 LEU A 50 -3.618 -2.752 -3.315 1.00 1.00 C ATOM 595 CD2 LEU A 50 -1.279 -3.229 -4.060 1.00 1.00 C ATOM 0 H LEU A 50 -1.423 1.330 -2.782 1.00 1.00 H new ATOM 0 HA LEU A 50 0.056 -0.995 -3.157 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -2.611 -0.222 -3.048 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.449 -0.773 -4.704 1.00 1.00 H new ATOM 0 HG LEU A 50 -1.846 -2.365 -2.197 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -3.701 -3.785 -2.978 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -4.229 -2.112 -2.678 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -3.966 -2.678 -4.345 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.397 -4.255 -3.711 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.566 -3.168 -5.110 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.238 -2.926 -3.950 1.00 1.00 H new ATOM 607 N TYR A 51 -0.168 0.845 -5.819 1.00 1.00 N ATOM 608 CA TYR A 51 0.282 0.998 -7.200 1.00 1.00 C ATOM 609 C TYR A 51 1.807 0.997 -7.292 1.00 1.00 C ATOM 610 O TYR A 51 2.391 0.180 -8.008 1.00 1.00 O ATOM 611 CB TYR A 51 -0.281 2.286 -7.806 1.00 1.00 C ATOM 612 CG TYR A 51 0.082 2.479 -9.262 1.00 1.00 C ATOM 613 CD1 TYR A 51 1.282 3.077 -9.625 1.00 1.00 C ATOM 614 CD2 TYR A 51 -0.775 2.060 -10.272 1.00 1.00 C ATOM 615 CE1 TYR A 51 1.617 3.255 -10.954 1.00 1.00 C ATOM 616 CE2 TYR A 51 -0.447 2.234 -11.603 1.00 1.00 C ATOM 617 CZ TYR A 51 0.749 2.831 -11.939 1.00 1.00 C ATOM 618 OH TYR A 51 1.079 3.005 -13.263 1.00 1.00 O ATOM 0 H TYR A 51 -0.555 1.693 -5.405 1.00 1.00 H new ATOM 0 HA TYR A 51 -0.091 0.145 -7.767 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -1.367 2.279 -7.709 1.00 1.00 H new ATOM 0 HB3 TYR A 51 0.085 3.138 -7.233 1.00 1.00 H new ATOM 0 HD1 TYR A 51 1.964 3.408 -8.856 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -1.713 1.591 -10.013 1.00 1.00 H new ATOM 0 HE1 TYR A 51 2.553 3.723 -11.220 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -1.125 1.904 -12.376 1.00 1.00 H new ATOM 0 HH TYR A 51 0.361 2.651 -13.828 1.00 1.00 H new ATOM 628 N HIS A 52 2.457 1.909 -6.568 1.00 1.00 N ATOM 629 CA HIS A 52 3.916 1.984 -6.592 1.00 1.00 C ATOM 630 C HIS A 52 4.520 0.628 -6.249 1.00 1.00 C ATOM 631 O HIS A 52 5.455 0.173 -6.906 1.00 1.00 O ATOM 632 CB HIS A 52 4.443 3.048 -5.622 1.00 1.00 C ATOM 633 CG HIS A 52 3.587 4.274 -5.527 1.00 1.00 C ATOM 634 ND1 HIS A 52 2.972 4.846 -4.464 1.00 1.00 N flip ATOM 635 CD2 HIS A 52 3.293 5.073 -6.612 1.00 1.00 C flip ATOM 636 CE1 HIS A 52 2.327 5.968 -4.923 1.00 1.00 C flip ATOM 637 NE2 HIS A 52 2.536 6.083 -6.221 1.00 1.00 N flip ATOM 0 H HIS A 52 2.003 2.596 -5.966 1.00 1.00 H new ATOM 0 HA HIS A 52 4.214 2.269 -7.601 1.00 1.00 H new ATOM 0 HB2 HIS A 52 4.534 2.605 -4.630 1.00 1.00 H new ATOM 0 HB3 HIS A 52 5.445 3.342 -5.933 1.00 1.00 H new ATOM 0 HD2 HIS A 52 3.629 4.900 -7.624 1.00 1.00 H new ATOM 0 HE1 HIS A 52 1.743 6.647 -4.319 1.00 1.00 H new ATOM 0 HE2 HIS A 52 2.175 6.825 -6.820 1.00 1.00 H new ATOM 646 N LEU A 53 3.971 -0.020 -5.221 1.00 1.00 N ATOM 647 CA LEU A 53 4.441 -1.323 -4.797 1.00 1.00 C ATOM 648 C LEU A 53 4.616 -2.255 -5.990 1.00 1.00 C ATOM 649 O LEU A 53 5.662 -2.883 -6.151 1.00 1.00 O ATOM 650 CB LEU A 53 3.459 -1.914 -3.790 1.00 1.00 C ATOM 651 CG LEU A 53 4.062 -2.224 -2.427 1.00 1.00 C ATOM 652 CD1 LEU A 53 4.855 -1.037 -1.901 1.00 1.00 C ATOM 653 CD2 LEU A 53 2.978 -2.632 -1.439 1.00 1.00 C ATOM 0 H LEU A 53 3.196 0.346 -4.669 1.00 1.00 H new ATOM 0 HA LEU A 53 5.416 -1.209 -4.322 1.00 1.00 H new ATOM 0 HB2 LEU A 53 2.631 -1.217 -3.657 1.00 1.00 H new ATOM 0 HB3 LEU A 53 3.040 -2.831 -4.205 1.00 1.00 H new ATOM 0 HG LEU A 53 4.749 -3.062 -2.543 1.00 1.00 H new ATOM 0 HD11 LEU A 53 5.276 -1.284 -0.926 1.00 1.00 H new ATOM 0 HD12 LEU A 53 5.662 -0.802 -2.595 1.00 1.00 H new ATOM 0 HD13 LEU A 53 4.197 -0.174 -1.804 1.00 1.00 H new ATOM 0 HD21 LEU A 53 3.431 -2.849 -0.471 1.00 1.00 H new ATOM 0 HD22 LEU A 53 2.261 -1.819 -1.330 1.00 1.00 H new ATOM 0 HD23 LEU A 53 2.466 -3.521 -1.807 1.00 1.00 H new ATOM 665 N GLY A 54 3.593 -2.326 -6.839 1.00 1.00 N ATOM 666 CA GLY A 54 3.675 -3.169 -8.017 1.00 1.00 C ATOM 667 C GLY A 54 4.894 -2.831 -8.848 1.00 1.00 C ATOM 668 O GLY A 54 5.545 -3.714 -9.406 1.00 1.00 O ATOM 0 H GLY A 54 2.715 -1.818 -6.732 1.00 1.00 H new ATOM 0 HA2 GLY A 54 3.716 -4.216 -7.716 1.00 1.00 H new ATOM 0 HA3 GLY A 54 2.775 -3.045 -8.619 1.00 1.00 H new ATOM 672 N GLN A 55 5.210 -1.541 -8.910 1.00 1.00 N ATOM 673 CA GLN A 55 6.370 -1.070 -9.656 1.00 1.00 C ATOM 674 C GLN A 55 7.641 -1.247 -8.830 1.00 1.00 C ATOM 675 O GLN A 55 8.734 -1.397 -9.376 1.00 1.00 O ATOM 676 CB GLN A 55 6.195 0.401 -10.040 1.00 1.00 C ATOM 677 CG GLN A 55 5.129 0.632 -11.098 1.00 1.00 C ATOM 678 CD GLN A 55 5.133 2.052 -11.630 1.00 1.00 C ATOM 679 OE1 GLN A 55 5.404 2.285 -12.807 1.00 1.00 O ATOM 680 NE2 GLN A 55 4.831 3.010 -10.761 1.00 1.00 N ATOM 0 H GLN A 55 4.677 -0.802 -8.451 1.00 1.00 H new ATOM 0 HA GLN A 55 6.458 -1.663 -10.567 1.00 1.00 H new ATOM 0 HB2 GLN A 55 5.939 0.973 -9.148 1.00 1.00 H new ATOM 0 HB3 GLN A 55 7.146 0.788 -10.405 1.00 1.00 H new ATOM 0 HG2 GLN A 55 5.286 -0.062 -11.924 1.00 1.00 H new ATOM 0 HG3 GLN A 55 4.149 0.409 -10.676 1.00 1.00 H new ATOM 0 HE21 GLN A 55 4.613 2.771 -9.794 1.00 1.00 H new ATOM 0 HE22 GLN A 55 4.817 3.985 -11.061 1.00 1.00 H new ATOM 689 N TYR A 56 7.487 -1.234 -7.507 1.00 1.00 N ATOM 690 CA TYR A 56 8.615 -1.398 -6.599 1.00 1.00 C ATOM 691 C TYR A 56 9.164 -2.820 -6.681 1.00 1.00 C ATOM 692 O TYR A 56 10.371 -3.025 -6.810 1.00 1.00 O ATOM 693 CB TYR A 56 8.189 -1.077 -5.160 1.00 1.00 C ATOM 694 CG TYR A 56 9.229 -1.434 -4.120 1.00 1.00 C ATOM 695 CD1 TYR A 56 10.329 -0.615 -3.899 1.00 1.00 C ATOM 696 CD2 TYR A 56 9.119 -2.600 -3.375 1.00 1.00 C ATOM 697 CE1 TYR A 56 11.291 -0.949 -2.965 1.00 1.00 C ATOM 698 CE2 TYR A 56 10.074 -2.939 -2.435 1.00 1.00 C ATOM 699 CZ TYR A 56 11.159 -2.111 -2.236 1.00 1.00 C ATOM 700 OH TYR A 56 12.115 -2.448 -1.305 1.00 1.00 O ATOM 0 H TYR A 56 6.588 -1.111 -7.041 1.00 1.00 H new ATOM 0 HA TYR A 56 9.402 -0.705 -6.896 1.00 1.00 H new ATOM 0 HB2 TYR A 56 7.966 -0.013 -5.086 1.00 1.00 H new ATOM 0 HB3 TYR A 56 7.266 -1.613 -4.936 1.00 1.00 H new ATOM 0 HD1 TYR A 56 10.434 0.298 -4.467 1.00 1.00 H new ATOM 0 HD2 TYR A 56 8.273 -3.253 -3.532 1.00 1.00 H new ATOM 0 HE1 TYR A 56 12.142 -0.303 -2.807 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.971 -3.847 -1.860 1.00 1.00 H new ATOM 0 HH TYR A 56 11.871 -3.296 -0.878 1.00 1.00 H new ATOM 710 N ILE A 57 8.267 -3.800 -6.606 1.00 1.00 N ATOM 711 CA ILE A 57 8.659 -5.202 -6.674 1.00 1.00 C ATOM 712 C ILE A 57 9.335 -5.517 -8.004 1.00 1.00 C ATOM 713 O ILE A 57 10.469 -5.996 -8.036 1.00 1.00 O ATOM 714 CB ILE A 57 7.445 -6.135 -6.488 1.00 1.00 C ATOM 715 CG1 ILE A 57 6.717 -5.802 -5.185 1.00 1.00 C ATOM 716 CG2 ILE A 57 7.884 -7.593 -6.497 1.00 1.00 C ATOM 717 CD1 ILE A 57 5.517 -6.684 -4.921 1.00 1.00 C ATOM 0 H ILE A 57 7.264 -3.647 -6.498 1.00 1.00 H new ATOM 0 HA ILE A 57 9.365 -5.375 -5.862 1.00 1.00 H new ATOM 0 HB ILE A 57 6.758 -5.980 -7.320 1.00 1.00 H new ATOM 0 HG12 ILE A 57 7.416 -5.895 -4.354 1.00 1.00 H new ATOM 0 HG13 ILE A 57 6.394 -4.762 -5.215 1.00 1.00 H new ATOM 0 HG21 ILE A 57 7.014 -8.236 -6.364 1.00 1.00 H new ATOM 0 HG22 ILE A 57 8.363 -7.823 -7.449 1.00 1.00 H new ATOM 0 HG23 ILE A 57 8.590 -7.766 -5.684 1.00 1.00 H new ATOM 0 HD11 ILE A 57 5.050 -6.391 -3.981 1.00 1.00 H new ATOM 0 HD12 ILE A 57 4.798 -6.573 -5.733 1.00 1.00 H new ATOM 0 HD13 ILE A 57 5.837 -7.724 -4.859 1.00 1.00 H new ATOM 729 N MET A 58 8.635 -5.244 -9.101 1.00 1.00 N ATOM 730 CA MET A 58 9.176 -5.497 -10.432 1.00 1.00 C ATOM 731 C MET A 58 10.489 -4.748 -10.631 1.00 1.00 C ATOM 732 O MET A 58 11.365 -5.195 -11.372 1.00 1.00 O ATOM 733 CB MET A 58 8.167 -5.087 -11.507 1.00 1.00 C ATOM 734 CG MET A 58 7.852 -3.600 -11.510 1.00 1.00 C ATOM 735 SD MET A 58 8.160 -2.824 -13.109 1.00 1.00 S ATOM 736 CE MET A 58 8.611 -1.167 -12.601 1.00 1.00 C ATOM 0 H MET A 58 7.695 -4.849 -9.095 1.00 1.00 H new ATOM 0 HA MET A 58 9.370 -6.566 -10.523 1.00 1.00 H new ATOM 0 HB2 MET A 58 8.556 -5.370 -12.485 1.00 1.00 H new ATOM 0 HB3 MET A 58 7.243 -5.645 -11.358 1.00 1.00 H new ATOM 0 HG2 MET A 58 6.807 -3.454 -11.236 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.454 -3.104 -10.749 1.00 1.00 H new ATOM 0 HE1 MET A 58 9.001 -0.617 -13.458 1.00 1.00 H new ATOM 0 HE2 MET A 58 7.732 -0.654 -12.210 1.00 1.00 H new ATOM 0 HE3 MET A 58 9.375 -1.220 -11.826 1.00 1.00 H new ATOM 746 N ALA A 59 10.623 -3.609 -9.957 1.00 1.00 N ATOM 747 CA ALA A 59 11.833 -2.803 -10.052 1.00 1.00 C ATOM 748 C ALA A 59 12.968 -3.443 -9.261 1.00 1.00 C ATOM 749 O ALA A 59 14.020 -3.763 -9.814 1.00 1.00 O ATOM 750 CB ALA A 59 11.568 -1.390 -9.554 1.00 1.00 C ATOM 0 H ALA A 59 9.908 -3.225 -9.340 1.00 1.00 H new ATOM 0 HA ALA A 59 12.132 -2.752 -11.099 1.00 1.00 H new ATOM 0 HB1 ALA A 59 12.481 -0.800 -9.631 1.00 1.00 H new ATOM 0 HB2 ALA A 59 10.787 -0.931 -10.160 1.00 1.00 H new ATOM 0 HB3 ALA A 59 11.246 -1.425 -8.513 1.00 1.00 H new ATOM 756 N LYS A 60 12.743 -3.634 -7.965 1.00 1.00 N ATOM 757 CA LYS A 60 13.743 -4.246 -7.098 1.00 1.00 C ATOM 758 C LYS A 60 14.017 -5.687 -7.521 1.00 1.00 C ATOM 759 O LYS A 60 15.088 -6.230 -7.252 1.00 1.00 O ATOM 760 CB LYS A 60 13.273 -4.211 -5.643 1.00 1.00 C ATOM 761 CG LYS A 60 13.563 -2.897 -4.937 1.00 1.00 C ATOM 762 CD LYS A 60 13.000 -1.711 -5.704 1.00 1.00 C ATOM 763 CE LYS A 60 13.371 -0.392 -5.044 1.00 1.00 C ATOM 764 NZ LYS A 60 14.468 0.303 -5.773 1.00 1.00 N ATOM 0 H LYS A 60 11.877 -3.374 -7.492 1.00 1.00 H new ATOM 0 HA LYS A 60 14.668 -3.676 -7.189 1.00 1.00 H new ATOM 0 HB2 LYS A 60 12.200 -4.400 -5.613 1.00 1.00 H new ATOM 0 HB3 LYS A 60 13.755 -5.021 -5.096 1.00 1.00 H new ATOM 0 HG2 LYS A 60 13.134 -2.920 -3.935 1.00 1.00 H new ATOM 0 HG3 LYS A 60 14.640 -2.777 -4.820 1.00 1.00 H new ATOM 0 HD2 LYS A 60 13.377 -1.726 -6.727 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.915 -1.797 -5.763 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.494 0.254 -5.005 1.00 1.00 H new ATOM 0 HE3 LYS A 60 13.678 -0.575 -4.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.692 1.198 -5.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 15.313 -0.303 -5.788 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 14.166 0.500 -6.748 1.00 1.00 H new ATOM 778 N GLN A 61 13.039 -6.301 -8.187 1.00 1.00 N ATOM 779 CA GLN A 61 13.169 -7.680 -8.650 1.00 1.00 C ATOM 780 C GLN A 61 13.148 -8.655 -7.476 1.00 1.00 C ATOM 781 O GLN A 61 14.139 -9.331 -7.198 1.00 1.00 O ATOM 782 CB GLN A 61 14.459 -7.856 -9.457 1.00 1.00 C ATOM 783 CG GLN A 61 14.464 -9.100 -10.330 1.00 1.00 C ATOM 784 CD GLN A 61 14.444 -8.776 -11.812 1.00 1.00 C ATOM 785 OE1 GLN A 61 13.525 -7.905 -12.214 1.00 1.00 O flip ATOM 786 NE2 GLN A 61 15.244 -9.301 -12.585 1.00 1.00 N flip ATOM 0 H GLN A 61 12.147 -5.863 -8.418 1.00 1.00 H new ATOM 0 HA GLN A 61 12.318 -7.899 -9.294 1.00 1.00 H new ATOM 0 HB2 GLN A 61 14.606 -6.979 -10.087 1.00 1.00 H new ATOM 0 HB3 GLN A 61 15.304 -7.900 -8.770 1.00 1.00 H new ATOM 0 HG2 GLN A 61 15.350 -9.694 -10.104 1.00 1.00 H new ATOM 0 HG3 GLN A 61 13.598 -9.714 -10.085 1.00 1.00 H new ATOM 0 HE21 GLN A 61 15.933 -9.965 -12.232 1.00 1.00 H new ATOM 0 HE22 GLN A 61 15.218 -9.072 -13.579 1.00 1.00 H new ATOM 795 N LEU A 62 12.010 -8.724 -6.793 1.00 1.00 N ATOM 796 CA LEU A 62 11.857 -9.619 -5.650 1.00 1.00 C ATOM 797 C LEU A 62 10.970 -10.816 -5.994 1.00 1.00 C ATOM 798 O LEU A 62 10.748 -11.691 -5.157 1.00 1.00 O ATOM 799 CB LEU A 62 11.264 -8.864 -4.457 1.00 1.00 C ATOM 800 CG LEU A 62 11.713 -7.408 -4.316 1.00 1.00 C ATOM 801 CD1 LEU A 62 11.158 -6.802 -3.037 1.00 1.00 C ATOM 802 CD2 LEU A 62 13.231 -7.315 -4.335 1.00 1.00 C ATOM 0 H LEU A 62 11.180 -8.172 -7.010 1.00 1.00 H new ATOM 0 HA LEU A 62 12.848 -9.990 -5.387 1.00 1.00 H new ATOM 0 HB2 LEU A 62 10.177 -8.886 -4.538 1.00 1.00 H new ATOM 0 HB3 LEU A 62 11.526 -9.398 -3.544 1.00 1.00 H new ATOM 0 HG LEU A 62 11.323 -6.843 -5.163 1.00 1.00 H new ATOM 0 HD11 LEU A 62 11.487 -5.766 -2.952 1.00 1.00 H new ATOM 0 HD12 LEU A 62 10.069 -6.836 -3.061 1.00 1.00 H new ATOM 0 HD13 LEU A 62 11.520 -7.369 -2.179 1.00 1.00 H new ATOM 0 HD21 LEU A 62 13.533 -6.273 -4.234 1.00 1.00 H new ATOM 0 HD22 LEU A 62 13.641 -7.894 -3.507 1.00 1.00 H new ATOM 0 HD23 LEU A 62 13.608 -7.712 -5.277 1.00 1.00 H new ATOM 814 N TYR A 63 10.464 -10.851 -7.225 1.00 1.00 N ATOM 815 CA TYR A 63 9.603 -11.943 -7.664 1.00 1.00 C ATOM 816 C TYR A 63 10.428 -13.169 -8.044 1.00 1.00 C ATOM 817 O TYR A 63 11.601 -13.054 -8.401 1.00 1.00 O ATOM 818 CB TYR A 63 8.749 -11.500 -8.853 1.00 1.00 C ATOM 819 CG TYR A 63 9.560 -10.981 -10.019 1.00 1.00 C ATOM 820 CD1 TYR A 63 10.268 -11.851 -10.838 1.00 1.00 C ATOM 821 CD2 TYR A 63 9.618 -9.622 -10.300 1.00 1.00 C ATOM 822 CE1 TYR A 63 11.012 -11.381 -11.904 1.00 1.00 C ATOM 823 CE2 TYR A 63 10.359 -9.144 -11.364 1.00 1.00 C ATOM 824 CZ TYR A 63 11.054 -10.027 -12.162 1.00 1.00 C ATOM 825 OH TYR A 63 11.794 -9.555 -13.222 1.00 1.00 O ATOM 0 H TYR A 63 10.636 -10.137 -7.933 1.00 1.00 H new ATOM 0 HA TYR A 63 8.948 -12.212 -6.835 1.00 1.00 H new ATOM 0 HB2 TYR A 63 8.143 -12.342 -9.188 1.00 1.00 H new ATOM 0 HB3 TYR A 63 8.060 -10.722 -8.525 1.00 1.00 H new ATOM 0 HD1 TYR A 63 10.237 -12.912 -10.639 1.00 1.00 H new ATOM 0 HD2 TYR A 63 9.075 -8.927 -9.677 1.00 1.00 H new ATOM 0 HE1 TYR A 63 11.557 -12.070 -12.531 1.00 1.00 H new ATOM 0 HE2 TYR A 63 10.393 -8.084 -11.569 1.00 1.00 H new ATOM 0 HH TYR A 63 12.186 -8.688 -12.987 1.00 1.00 H new ATOM 835 N ASP A 64 9.807 -14.341 -7.964 1.00 1.00 N ATOM 836 CA ASP A 64 10.483 -15.590 -8.298 1.00 1.00 C ATOM 837 C ASP A 64 10.465 -15.834 -9.804 1.00 1.00 C ATOM 838 O ASP A 64 9.499 -15.493 -10.487 1.00 1.00 O ATOM 839 CB ASP A 64 9.820 -16.762 -7.571 1.00 1.00 C ATOM 840 CG ASP A 64 10.510 -18.083 -7.852 1.00 1.00 C ATOM 841 OD1 ASP A 64 11.756 -18.097 -7.931 1.00 1.00 O ATOM 842 OD2 ASP A 64 9.804 -19.104 -7.993 1.00 1.00 O ATOM 0 H ASP A 64 8.836 -14.452 -7.671 1.00 1.00 H new ATOM 0 HA ASP A 64 11.521 -15.510 -7.975 1.00 1.00 H new ATOM 0 HB2 ASP A 64 9.829 -16.572 -6.498 1.00 1.00 H new ATOM 0 HB3 ASP A 64 8.775 -16.830 -7.874 1.00 1.00 H new ATOM 847 N GLU A 65 11.540 -16.426 -10.315 1.00 1.00 N ATOM 848 CA GLU A 65 11.647 -16.717 -11.741 1.00 1.00 C ATOM 849 C GLU A 65 10.633 -17.779 -12.155 1.00 1.00 C ATOM 850 O GLU A 65 9.910 -17.610 -13.137 1.00 1.00 O ATOM 851 CB GLU A 65 13.065 -17.183 -12.083 1.00 1.00 C ATOM 852 CG GLU A 65 13.927 -16.097 -12.706 1.00 1.00 C ATOM 853 CD GLU A 65 14.770 -16.611 -13.857 1.00 1.00 C ATOM 854 OE1 GLU A 65 15.881 -17.120 -13.598 1.00 1.00 O ATOM 855 OE2 GLU A 65 14.319 -16.505 -15.017 1.00 1.00 O ATOM 0 H GLU A 65 12.349 -16.713 -9.764 1.00 1.00 H new ATOM 0 HA GLU A 65 11.432 -15.802 -12.292 1.00 1.00 H new ATOM 0 HB2 GLU A 65 13.549 -17.544 -11.175 1.00 1.00 H new ATOM 0 HB3 GLU A 65 13.006 -18.027 -12.770 1.00 1.00 H new ATOM 0 HG2 GLU A 65 13.287 -15.289 -13.061 1.00 1.00 H new ATOM 0 HG3 GLU A 65 14.580 -15.674 -11.943 1.00 1.00 H new ATOM 862 N LYS A 66 10.584 -18.872 -11.400 1.00 1.00 N ATOM 863 CA LYS A 66 9.656 -19.960 -11.689 1.00 1.00 C ATOM 864 C LYS A 66 8.218 -19.450 -11.723 1.00 1.00 C ATOM 865 O LYS A 66 7.498 -19.655 -12.700 1.00 1.00 O ATOM 866 CB LYS A 66 9.796 -21.068 -10.647 1.00 1.00 C ATOM 867 CG LYS A 66 10.629 -22.242 -11.131 1.00 1.00 C ATOM 868 CD LYS A 66 10.072 -22.830 -12.418 1.00 1.00 C ATOM 869 CE LYS A 66 10.575 -24.245 -12.647 1.00 1.00 C ATOM 870 NZ LYS A 66 10.144 -24.782 -13.967 1.00 1.00 N ATOM 0 H LYS A 66 11.176 -19.028 -10.584 1.00 1.00 H new ATOM 0 HA LYS A 66 9.901 -20.366 -12.671 1.00 1.00 H new ATOM 0 HB2 LYS A 66 10.250 -20.655 -9.746 1.00 1.00 H new ATOM 0 HB3 LYS A 66 8.804 -21.424 -10.369 1.00 1.00 H new ATOM 0 HG2 LYS A 66 11.657 -21.917 -11.293 1.00 1.00 H new ATOM 0 HG3 LYS A 66 10.656 -23.012 -10.360 1.00 1.00 H new ATOM 0 HD2 LYS A 66 8.983 -22.832 -12.377 1.00 1.00 H new ATOM 0 HD3 LYS A 66 10.358 -22.200 -13.261 1.00 1.00 H new ATOM 0 HE2 LYS A 66 11.663 -24.257 -12.588 1.00 1.00 H new ATOM 0 HE3 LYS A 66 10.206 -24.894 -11.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.508 -25.749 -14.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 9.105 -24.795 -14.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.518 -24.178 -14.726 1.00 1.00 H new ATOM 884 N GLN A 67 7.812 -18.777 -10.652 1.00 1.00 N ATOM 885 CA GLN A 67 6.464 -18.227 -10.558 1.00 1.00 C ATOM 886 C GLN A 67 6.517 -16.721 -10.320 1.00 1.00 C ATOM 887 O GLN A 67 7.127 -16.256 -9.358 1.00 1.00 O ATOM 888 CB GLN A 67 5.675 -18.907 -9.434 1.00 1.00 C ATOM 889 CG GLN A 67 6.542 -19.430 -8.298 1.00 1.00 C ATOM 890 CD GLN A 67 7.176 -20.769 -8.620 1.00 1.00 C ATOM 891 OE1 GLN A 67 6.746 -21.468 -9.537 1.00 1.00 O ATOM 892 NE2 GLN A 67 8.204 -21.135 -7.862 1.00 1.00 N ATOM 0 H GLN A 67 8.397 -18.599 -9.836 1.00 1.00 H new ATOM 0 HA GLN A 67 5.956 -18.418 -11.503 1.00 1.00 H new ATOM 0 HB2 GLN A 67 4.954 -18.197 -9.030 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.105 -19.736 -9.854 1.00 1.00 H new ATOM 0 HG2 GLN A 67 7.325 -18.704 -8.079 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.936 -19.526 -7.397 1.00 1.00 H new ATOM 0 HE21 GLN A 67 8.528 -20.524 -7.112 1.00 1.00 H new ATOM 0 HE22 GLN A 67 8.670 -22.027 -8.030 1.00 1.00 H new ATOM 901 N GLN A 68 5.879 -15.965 -11.207 1.00 1.00 N ATOM 902 CA GLN A 68 5.859 -14.511 -11.097 1.00 1.00 C ATOM 903 C GLN A 68 4.872 -14.047 -10.028 1.00 1.00 C ATOM 904 O GLN A 68 4.933 -12.904 -9.573 1.00 1.00 O ATOM 905 CB GLN A 68 5.500 -13.884 -12.445 1.00 1.00 C ATOM 906 CG GLN A 68 6.666 -13.825 -13.418 1.00 1.00 C ATOM 907 CD GLN A 68 6.897 -15.143 -14.132 1.00 1.00 C ATOM 908 OE1 GLN A 68 6.180 -15.486 -15.072 1.00 1.00 O ATOM 909 NE2 GLN A 68 7.901 -15.889 -13.687 1.00 1.00 N ATOM 0 H GLN A 68 5.369 -16.335 -12.009 1.00 1.00 H new ATOM 0 HA GLN A 68 6.856 -14.185 -10.802 1.00 1.00 H new ATOM 0 HB2 GLN A 68 4.689 -14.455 -12.897 1.00 1.00 H new ATOM 0 HB3 GLN A 68 5.125 -12.874 -12.278 1.00 1.00 H new ATOM 0 HG2 GLN A 68 6.480 -13.044 -14.155 1.00 1.00 H new ATOM 0 HG3 GLN A 68 7.571 -13.545 -12.879 1.00 1.00 H new ATOM 0 HE21 GLN A 68 8.469 -15.565 -12.905 1.00 1.00 H new ATOM 0 HE22 GLN A 68 8.104 -16.786 -14.128 1.00 1.00 H new ATOM 918 N HIS A 69 3.962 -14.933 -9.631 1.00 1.00 N ATOM 919 CA HIS A 69 2.968 -14.598 -8.616 1.00 1.00 C ATOM 920 C HIS A 69 3.500 -14.853 -7.204 1.00 1.00 C ATOM 921 O HIS A 69 2.753 -14.775 -6.230 1.00 1.00 O ATOM 922 CB HIS A 69 1.680 -15.395 -8.853 1.00 1.00 C ATOM 923 CG HIS A 69 1.784 -16.841 -8.474 1.00 1.00 C ATOM 924 ND1 HIS A 69 2.470 -17.770 -9.228 1.00 1.00 N ATOM 925 CD2 HIS A 69 1.283 -17.517 -7.413 1.00 1.00 C ATOM 926 CE1 HIS A 69 2.386 -18.954 -8.648 1.00 1.00 C ATOM 927 NE2 HIS A 69 1.672 -18.827 -7.545 1.00 1.00 N ATOM 0 H HIS A 69 3.893 -15.883 -9.995 1.00 1.00 H new ATOM 0 HA HIS A 69 2.749 -13.534 -8.701 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.871 -14.937 -8.284 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.409 -15.324 -9.906 1.00 1.00 H new ATOM 0 HD2 HIS A 69 0.688 -17.103 -6.612 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.826 -19.870 -9.014 1.00 1.00 H new ATOM 0 HE2 HIS A 69 1.446 -19.580 -6.896 1.00 1.00 H new ATOM 936 N ILE A 70 4.794 -15.151 -7.098 1.00 1.00 N ATOM 937 CA ILE A 70 5.414 -15.406 -5.805 1.00 1.00 C ATOM 938 C ILE A 70 6.566 -14.438 -5.556 1.00 1.00 C ATOM 939 O ILE A 70 7.389 -14.196 -6.438 1.00 1.00 O ATOM 940 CB ILE A 70 5.937 -16.854 -5.702 1.00 1.00 C ATOM 941 CG1 ILE A 70 4.805 -17.850 -5.963 1.00 1.00 C ATOM 942 CG2 ILE A 70 6.560 -17.101 -4.334 1.00 1.00 C ATOM 943 CD1 ILE A 70 3.576 -17.611 -5.112 1.00 1.00 C ATOM 0 H ILE A 70 5.430 -15.221 -7.892 1.00 1.00 H new ATOM 0 HA ILE A 70 4.644 -15.258 -5.048 1.00 1.00 H new ATOM 0 HB ILE A 70 6.706 -16.998 -6.461 1.00 1.00 H new ATOM 0 HG12 ILE A 70 4.523 -17.799 -7.015 1.00 1.00 H new ATOM 0 HG13 ILE A 70 5.172 -18.860 -5.780 1.00 1.00 H new ATOM 0 HG21 ILE A 70 6.923 -18.127 -4.280 1.00 1.00 H new ATOM 0 HG22 ILE A 70 7.392 -16.413 -4.184 1.00 1.00 H new ATOM 0 HG23 ILE A 70 5.811 -16.940 -3.559 1.00 1.00 H new ATOM 0 HD11 ILE A 70 2.817 -18.355 -5.352 1.00 1.00 H new ATOM 0 HD12 ILE A 70 3.842 -17.691 -4.058 1.00 1.00 H new ATOM 0 HD13 ILE A 70 3.183 -16.614 -5.312 1.00 1.00 H new ATOM 955 N VAL A 71 6.615 -13.887 -4.349 1.00 1.00 N ATOM 956 CA VAL A 71 7.664 -12.944 -3.982 1.00 1.00 C ATOM 957 C VAL A 71 8.364 -13.372 -2.697 1.00 1.00 C ATOM 958 O VAL A 71 7.828 -13.199 -1.603 1.00 1.00 O ATOM 959 CB VAL A 71 7.101 -11.522 -3.793 1.00 1.00 C ATOM 960 CG1 VAL A 71 8.231 -10.507 -3.710 1.00 1.00 C ATOM 961 CG2 VAL A 71 6.135 -11.170 -4.918 1.00 1.00 C ATOM 0 H VAL A 71 5.940 -14.077 -3.608 1.00 1.00 H new ATOM 0 HA VAL A 71 8.383 -12.938 -4.801 1.00 1.00 H new ATOM 0 HB VAL A 71 6.548 -11.493 -2.854 1.00 1.00 H new ATOM 0 HG11 VAL A 71 7.814 -9.509 -3.577 1.00 1.00 H new ATOM 0 HG12 VAL A 71 8.875 -10.748 -2.864 1.00 1.00 H new ATOM 0 HG13 VAL A 71 8.815 -10.536 -4.630 1.00 1.00 H new ATOM 0 HG21 VAL A 71 5.750 -10.162 -4.765 1.00 1.00 H new ATOM 0 HG22 VAL A 71 6.657 -11.217 -5.874 1.00 1.00 H new ATOM 0 HG23 VAL A 71 5.307 -11.879 -4.921 1.00 1.00 H new ATOM 971 N HIS A 72 9.566 -13.927 -2.832 1.00 1.00 N ATOM 972 CA HIS A 72 10.328 -14.370 -1.670 1.00 1.00 C ATOM 973 C HIS A 72 11.734 -13.775 -1.676 1.00 1.00 C ATOM 974 O HIS A 72 12.635 -14.278 -2.348 1.00 1.00 O ATOM 975 CB HIS A 72 10.400 -15.900 -1.632 1.00 1.00 C ATOM 976 CG HIS A 72 11.188 -16.498 -2.756 1.00 1.00 C ATOM 977 ND1 HIS A 72 10.828 -16.372 -4.081 1.00 1.00 N ATOM 978 CD2 HIS A 72 12.329 -17.228 -2.747 1.00 1.00 C ATOM 979 CE1 HIS A 72 11.712 -16.998 -4.838 1.00 1.00 C ATOM 980 NE2 HIS A 72 12.633 -17.525 -4.052 1.00 1.00 N ATOM 0 H HIS A 72 10.030 -14.079 -3.728 1.00 1.00 H new ATOM 0 HA HIS A 72 9.814 -14.018 -0.775 1.00 1.00 H new ATOM 0 HB2 HIS A 72 10.843 -16.210 -0.686 1.00 1.00 H new ATOM 0 HB3 HIS A 72 9.387 -16.302 -1.657 1.00 1.00 H new ATOM 0 HD2 HIS A 72 12.894 -17.522 -1.875 1.00 1.00 H new ATOM 0 HE1 HIS A 72 11.686 -17.067 -5.915 1.00 1.00 H new ATOM 0 HE2 HIS A 72 13.440 -18.065 -4.364 1.00 1.00 H new ATOM 989 N CYS A 73 11.913 -12.704 -0.912 1.00 1.00 N ATOM 990 CA CYS A 73 13.205 -12.038 -0.812 1.00 1.00 C ATOM 991 C CYS A 73 13.574 -11.812 0.651 1.00 1.00 C ATOM 992 O CYS A 73 13.043 -10.912 1.301 1.00 1.00 O ATOM 993 CB CYS A 73 13.175 -10.706 -1.566 1.00 1.00 C ATOM 994 SG CYS A 73 14.065 -10.736 -3.139 1.00 1.00 S ATOM 0 H CYS A 73 11.176 -12.277 -0.351 1.00 1.00 H new ATOM 0 HA CYS A 73 13.962 -12.678 -1.265 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.138 -10.428 -1.752 1.00 1.00 H new ATOM 0 HB3 CYS A 73 13.604 -9.931 -0.931 1.00 1.00 H new ATOM 0 HG CYS A 73 14.810 -9.675 -3.236 1.00 1.00 H new ATOM 1000 N SER A 74 14.475 -12.640 1.170 1.00 1.00 N ATOM 1001 CA SER A 74 14.891 -12.527 2.563 1.00 1.00 C ATOM 1002 C SER A 74 15.597 -11.214 2.827 1.00 1.00 C ATOM 1003 O SER A 74 15.266 -10.516 3.786 1.00 1.00 O ATOM 1004 CB SER A 74 15.789 -13.701 2.956 1.00 1.00 C ATOM 1005 OG SER A 74 15.500 -14.848 2.176 1.00 1.00 O ATOM 0 H SER A 74 14.928 -13.392 0.651 1.00 1.00 H new ATOM 0 HA SER A 74 13.991 -12.553 3.177 1.00 1.00 H new ATOM 0 HB2 SER A 74 16.835 -13.423 2.825 1.00 1.00 H new ATOM 0 HB3 SER A 74 15.650 -13.931 4.012 1.00 1.00 H new ATOM 0 HG SER A 74 16.089 -15.584 2.446 1.00 1.00 H new ATOM 1011 N ASN A 75 16.550 -10.852 1.980 1.00 1.00 N ATOM 1012 CA ASN A 75 17.235 -9.592 2.178 1.00 1.00 C ATOM 1013 C ASN A 75 16.623 -8.532 1.279 1.00 1.00 C ATOM 1014 O ASN A 75 17.023 -8.362 0.128 1.00 1.00 O ATOM 1015 CB ASN A 75 18.727 -9.740 1.878 1.00 1.00 C ATOM 1016 CG ASN A 75 19.484 -10.390 3.019 1.00 1.00 C ATOM 1017 OD1 ASN A 75 18.904 -11.105 3.836 1.00 1.00 O ATOM 1018 ND2 ASN A 75 20.788 -10.145 3.080 1.00 1.00 N ATOM 0 H ASN A 75 16.857 -11.397 1.174 1.00 1.00 H new ATOM 0 HA ASN A 75 17.123 -9.289 3.219 1.00 1.00 H new ATOM 0 HB2 ASN A 75 18.856 -10.336 0.974 1.00 1.00 H new ATOM 0 HB3 ASN A 75 19.153 -8.757 1.676 1.00 1.00 H new ATOM 0 HD21 ASN A 75 21.350 -10.556 3.826 1.00 1.00 H new ATOM 0 HD22 ASN A 75 21.228 -9.546 2.381 1.00 1.00 H new ATOM 1025 N ASP A 76 15.654 -7.816 1.829 1.00 1.00 N ATOM 1026 CA ASP A 76 14.978 -6.752 1.096 1.00 1.00 C ATOM 1027 C ASP A 76 14.243 -5.811 2.046 1.00 1.00 C ATOM 1028 O ASP A 76 13.681 -6.250 3.049 1.00 1.00 O ATOM 1029 CB ASP A 76 14.001 -7.344 0.077 1.00 1.00 C ATOM 1030 CG ASP A 76 14.477 -7.156 -1.349 1.00 1.00 C ATOM 1031 OD1 ASP A 76 14.511 -5.998 -1.815 1.00 1.00 O ATOM 1032 OD2 ASP A 76 14.819 -8.166 -1.999 1.00 1.00 O ATOM 0 H ASP A 76 15.316 -7.951 2.782 1.00 1.00 H new ATOM 0 HA ASP A 76 15.736 -6.175 0.565 1.00 1.00 H new ATOM 0 HB2 ASP A 76 13.870 -8.407 0.277 1.00 1.00 H new ATOM 0 HB3 ASP A 76 13.025 -6.874 0.197 1.00 1.00 H new ATOM 1037 N PRO A 77 14.222 -4.501 1.741 1.00 1.00 N ATOM 1038 CA PRO A 77 13.533 -3.523 2.578 1.00 1.00 C ATOM 1039 C PRO A 77 12.077 -3.912 2.808 1.00 1.00 C ATOM 1040 O PRO A 77 11.482 -3.567 3.828 1.00 1.00 O ATOM 1041 CB PRO A 77 13.611 -2.220 1.779 1.00 1.00 C ATOM 1042 CG PRO A 77 14.693 -2.410 0.774 1.00 1.00 C ATOM 1043 CD PRO A 77 14.855 -3.888 0.561 1.00 1.00 C ATOM 0 HA PRO A 77 13.985 -3.446 3.567 1.00 1.00 H new ATOM 0 HB2 PRO A 77 12.660 -2.006 1.291 1.00 1.00 H new ATOM 0 HB3 PRO A 77 13.831 -1.376 2.432 1.00 1.00 H new ATOM 0 HG2 PRO A 77 14.439 -1.913 -0.162 1.00 1.00 H new ATOM 0 HG3 PRO A 77 15.625 -1.969 1.126 1.00 1.00 H new ATOM 0 HD2 PRO A 77 14.373 -4.211 -0.361 1.00 1.00 H new ATOM 0 HD3 PRO A 77 15.906 -4.165 0.485 1.00 1.00 H new ATOM 1051 N LEU A 78 11.513 -4.640 1.848 1.00 1.00 N ATOM 1052 CA LEU A 78 10.129 -5.087 1.937 1.00 1.00 C ATOM 1053 C LEU A 78 9.999 -6.236 2.929 1.00 1.00 C ATOM 1054 O LEU A 78 9.147 -6.209 3.818 1.00 1.00 O ATOM 1055 CB LEU A 78 9.628 -5.527 0.560 1.00 1.00 C ATOM 1056 CG LEU A 78 8.108 -5.555 0.403 1.00 1.00 C ATOM 1057 CD1 LEU A 78 7.507 -4.212 0.786 1.00 1.00 C ATOM 1058 CD2 LEU A 78 7.728 -5.925 -1.023 1.00 1.00 C ATOM 0 H LEU A 78 11.996 -4.933 0.998 1.00 1.00 H new ATOM 0 HA LEU A 78 9.520 -4.254 2.288 1.00 1.00 H new ATOM 0 HB2 LEU A 78 10.043 -4.856 -0.192 1.00 1.00 H new ATOM 0 HB3 LEU A 78 10.018 -6.523 0.349 1.00 1.00 H new ATOM 0 HG LEU A 78 7.705 -6.314 1.074 1.00 1.00 H new ATOM 0 HD11 LEU A 78 6.424 -4.251 0.668 1.00 1.00 H new ATOM 0 HD12 LEU A 78 7.751 -3.987 1.824 1.00 1.00 H new ATOM 0 HD13 LEU A 78 7.915 -3.434 0.141 1.00 1.00 H new ATOM 0 HD21 LEU A 78 6.642 -5.940 -1.118 1.00 1.00 H new ATOM 0 HD22 LEU A 78 8.142 -5.189 -1.712 1.00 1.00 H new ATOM 0 HD23 LEU A 78 8.127 -6.911 -1.262 1.00 1.00 H new ATOM 1070 N GLY A 79 10.854 -7.243 2.775 1.00 1.00 N ATOM 1071 CA GLY A 79 10.823 -8.385 3.669 1.00 1.00 C ATOM 1072 C GLY A 79 11.012 -7.983 5.117 1.00 1.00 C ATOM 1073 O GLY A 79 10.410 -8.569 6.016 1.00 1.00 O ATOM 0 H GLY A 79 11.567 -7.288 2.047 1.00 1.00 H new ATOM 0 HA2 GLY A 79 9.871 -8.905 3.559 1.00 1.00 H new ATOM 0 HA3 GLY A 79 11.605 -9.089 3.384 1.00 1.00 H new ATOM 1077 N GLU A 80 11.848 -6.974 5.341 1.00 1.00 N ATOM 1078 CA GLU A 80 12.112 -6.485 6.688 1.00 1.00 C ATOM 1079 C GLU A 80 10.926 -5.674 7.208 1.00 1.00 C ATOM 1080 O GLU A 80 10.714 -5.568 8.416 1.00 1.00 O ATOM 1081 CB GLU A 80 13.396 -5.642 6.706 1.00 1.00 C ATOM 1082 CG GLU A 80 13.189 -4.178 6.343 1.00 1.00 C ATOM 1083 CD GLU A 80 13.208 -3.270 7.557 1.00 1.00 C ATOM 1084 OE1 GLU A 80 12.274 -3.359 8.381 1.00 1.00 O ATOM 1085 OE2 GLU A 80 14.158 -2.468 7.684 1.00 1.00 O ATOM 0 H GLU A 80 12.354 -6.480 4.606 1.00 1.00 H new ATOM 0 HA GLU A 80 12.252 -7.342 7.347 1.00 1.00 H new ATOM 0 HB2 GLU A 80 13.840 -5.699 7.700 1.00 1.00 H new ATOM 0 HB3 GLU A 80 14.113 -6.079 6.011 1.00 1.00 H new ATOM 0 HG2 GLU A 80 13.968 -3.866 5.648 1.00 1.00 H new ATOM 0 HG3 GLU A 80 12.236 -4.067 5.825 1.00 1.00 H new ATOM 1092 N LEU A 81 10.155 -5.106 6.283 1.00 1.00 N ATOM 1093 CA LEU A 81 8.989 -4.307 6.640 1.00 1.00 C ATOM 1094 C LEU A 81 7.791 -5.201 6.937 1.00 1.00 C ATOM 1095 O LEU A 81 7.263 -5.200 8.049 1.00 1.00 O ATOM 1096 CB LEU A 81 8.648 -3.338 5.505 1.00 1.00 C ATOM 1097 CG LEU A 81 7.449 -2.424 5.767 1.00 1.00 C ATOM 1098 CD1 LEU A 81 7.713 -1.520 6.962 1.00 1.00 C ATOM 1099 CD2 LEU A 81 7.134 -1.597 4.529 1.00 1.00 C ATOM 0 H LEU A 81 10.319 -5.186 5.279 1.00 1.00 H new ATOM 0 HA LEU A 81 9.226 -3.737 7.539 1.00 1.00 H new ATOM 0 HB2 LEU A 81 9.521 -2.717 5.304 1.00 1.00 H new ATOM 0 HB3 LEU A 81 8.453 -3.916 4.601 1.00 1.00 H new ATOM 0 HG LEU A 81 6.584 -3.047 5.997 1.00 1.00 H new ATOM 0 HD11 LEU A 81 6.848 -0.878 7.131 1.00 1.00 H new ATOM 0 HD12 LEU A 81 7.891 -2.130 7.848 1.00 1.00 H new ATOM 0 HD13 LEU A 81 8.590 -0.903 6.765 1.00 1.00 H new ATOM 0 HD21 LEU A 81 6.279 -0.952 4.730 1.00 1.00 H new ATOM 0 HD22 LEU A 81 7.998 -0.985 4.271 1.00 1.00 H new ATOM 0 HD23 LEU A 81 6.899 -2.262 3.698 1.00 1.00 H new ATOM 1111 N PHE A 82 7.369 -5.965 5.936 1.00 1.00 N ATOM 1112 CA PHE A 82 6.233 -6.868 6.089 1.00 1.00 C ATOM 1113 C PHE A 82 6.510 -7.912 7.167 1.00 1.00 C ATOM 1114 O PHE A 82 5.586 -8.430 7.794 1.00 1.00 O ATOM 1115 CB PHE A 82 5.918 -7.562 4.760 1.00 1.00 C ATOM 1116 CG PHE A 82 5.475 -6.626 3.666 1.00 1.00 C ATOM 1117 CD1 PHE A 82 4.873 -5.412 3.964 1.00 1.00 C ATOM 1118 CD2 PHE A 82 5.659 -6.966 2.335 1.00 1.00 C ATOM 1119 CE1 PHE A 82 4.465 -4.558 2.957 1.00 1.00 C ATOM 1120 CE2 PHE A 82 5.253 -6.115 1.324 1.00 1.00 C ATOM 1121 CZ PHE A 82 4.656 -4.910 1.636 1.00 1.00 C ATOM 0 H PHE A 82 7.796 -5.978 5.010 1.00 1.00 H new ATOM 0 HA PHE A 82 5.370 -6.275 6.393 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.804 -8.101 4.425 1.00 1.00 H new ATOM 0 HB3 PHE A 82 5.137 -8.304 4.926 1.00 1.00 H new ATOM 0 HD1 PHE A 82 4.721 -5.131 4.996 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.125 -7.907 2.085 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.997 -3.616 3.203 1.00 1.00 H new ATOM 0 HE2 PHE A 82 5.403 -6.393 0.291 1.00 1.00 H new ATOM 0 HZ PHE A 82 4.339 -4.244 0.848 1.00 1.00 H new ATOM 1131 N GLY A 83 7.787 -8.218 7.377 1.00 1.00 N ATOM 1132 CA GLY A 83 8.158 -9.198 8.380 1.00 1.00 C ATOM 1133 C GLY A 83 7.961 -10.623 7.902 1.00 1.00 C ATOM 1134 O GLY A 83 7.533 -11.488 8.666 1.00 1.00 O ATOM 0 H GLY A 83 8.570 -7.805 6.871 1.00 1.00 H new ATOM 0 HA2 GLY A 83 9.202 -9.052 8.656 1.00 1.00 H new ATOM 0 HA3 GLY A 83 7.564 -9.035 9.279 1.00 1.00 H new ATOM 1138 N VAL A 84 8.272 -10.867 6.633 1.00 1.00 N ATOM 1139 CA VAL A 84 8.127 -12.197 6.054 1.00 1.00 C ATOM 1140 C VAL A 84 9.201 -12.460 5.004 1.00 1.00 C ATOM 1141 O VAL A 84 9.677 -11.537 4.344 1.00 1.00 O ATOM 1142 CB VAL A 84 6.739 -12.382 5.411 1.00 1.00 C ATOM 1143 CG1 VAL A 84 5.646 -12.294 6.464 1.00 1.00 C ATOM 1144 CG2 VAL A 84 6.516 -11.352 4.314 1.00 1.00 C ATOM 0 H VAL A 84 8.626 -10.162 5.987 1.00 1.00 H new ATOM 0 HA VAL A 84 8.239 -12.911 6.870 1.00 1.00 H new ATOM 0 HB VAL A 84 6.698 -13.374 4.960 1.00 1.00 H new ATOM 0 HG11 VAL A 84 4.673 -12.427 5.991 1.00 1.00 H new ATOM 0 HG12 VAL A 84 5.796 -13.074 7.210 1.00 1.00 H new ATOM 0 HG13 VAL A 84 5.684 -11.318 6.947 1.00 1.00 H new ATOM 0 HG21 VAL A 84 5.531 -11.499 3.872 1.00 1.00 H new ATOM 0 HG22 VAL A 84 6.578 -10.350 4.738 1.00 1.00 H new ATOM 0 HG23 VAL A 84 7.280 -11.468 3.545 1.00 1.00 H new ATOM 1154 N GLN A 85 9.577 -13.726 4.853 1.00 1.00 N ATOM 1155 CA GLN A 85 10.593 -14.112 3.884 1.00 1.00 C ATOM 1156 C GLN A 85 9.971 -14.343 2.509 1.00 1.00 C ATOM 1157 O GLN A 85 10.620 -14.148 1.482 1.00 1.00 O ATOM 1158 CB GLN A 85 11.316 -15.376 4.354 1.00 1.00 C ATOM 1159 CG GLN A 85 12.322 -15.914 3.350 1.00 1.00 C ATOM 1160 CD GLN A 85 12.951 -17.219 3.796 1.00 1.00 C ATOM 1161 OE1 GLN A 85 14.153 -17.288 4.049 1.00 1.00 O ATOM 1162 NE2 GLN A 85 12.137 -18.264 3.896 1.00 1.00 N ATOM 0 H GLN A 85 9.192 -14.502 5.391 1.00 1.00 H new ATOM 0 HA GLN A 85 11.315 -13.299 3.802 1.00 1.00 H new ATOM 0 HB2 GLN A 85 11.830 -15.163 5.291 1.00 1.00 H new ATOM 0 HB3 GLN A 85 10.577 -16.149 4.565 1.00 1.00 H new ATOM 0 HG2 GLN A 85 11.827 -16.063 2.390 1.00 1.00 H new ATOM 0 HG3 GLN A 85 13.105 -15.172 3.193 1.00 1.00 H new ATOM 0 HE21 GLN A 85 11.146 -18.162 3.676 1.00 1.00 H new ATOM 0 HE22 GLN A 85 12.503 -19.169 4.193 1.00 1.00 H new ATOM 1171 N GLU A 86 8.708 -14.758 2.498 1.00 1.00 N ATOM 1172 CA GLU A 86 7.998 -15.015 1.251 1.00 1.00 C ATOM 1173 C GLU A 86 6.504 -14.757 1.414 1.00 1.00 C ATOM 1174 O GLU A 86 5.951 -14.921 2.502 1.00 1.00 O ATOM 1175 CB GLU A 86 8.232 -16.456 0.793 1.00 1.00 C ATOM 1176 CG GLU A 86 7.937 -17.490 1.867 1.00 1.00 C ATOM 1177 CD GLU A 86 8.649 -18.806 1.620 1.00 1.00 C ATOM 1178 OE1 GLU A 86 9.886 -18.852 1.789 1.00 1.00 O ATOM 1179 OE2 GLU A 86 7.971 -19.790 1.259 1.00 1.00 O ATOM 0 H GLU A 86 8.156 -14.923 3.339 1.00 1.00 H new ATOM 0 HA GLU A 86 8.386 -14.334 0.494 1.00 1.00 H new ATOM 0 HB2 GLU A 86 7.606 -16.658 -0.076 1.00 1.00 H new ATOM 0 HB3 GLU A 86 9.268 -16.563 0.472 1.00 1.00 H new ATOM 0 HG2 GLU A 86 8.237 -17.096 2.838 1.00 1.00 H new ATOM 0 HG3 GLU A 86 6.862 -17.665 1.912 1.00 1.00 H new ATOM 1186 N PHE A 87 5.856 -14.352 0.328 1.00 1.00 N ATOM 1187 CA PHE A 87 4.426 -14.071 0.354 1.00 1.00 C ATOM 1188 C PHE A 87 3.842 -14.068 -1.055 1.00 1.00 C ATOM 1189 O PHE A 87 4.318 -13.349 -1.934 1.00 1.00 O ATOM 1190 CB PHE A 87 4.162 -12.723 1.031 1.00 1.00 C ATOM 1191 CG PHE A 87 4.686 -11.547 0.257 1.00 1.00 C ATOM 1192 CD1 PHE A 87 5.993 -11.117 0.424 1.00 1.00 C ATOM 1193 CD2 PHE A 87 3.872 -10.871 -0.639 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.478 -10.036 -0.287 1.00 1.00 C ATOM 1195 CE2 PHE A 87 4.352 -9.790 -1.352 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.656 -9.371 -1.176 1.00 1.00 C ATOM 0 H PHE A 87 6.298 -14.211 -0.581 1.00 1.00 H new ATOM 0 HA PHE A 87 3.938 -14.860 0.926 1.00 1.00 H new ATOM 0 HB2 PHE A 87 3.088 -12.603 1.175 1.00 1.00 H new ATOM 0 HB3 PHE A 87 4.618 -12.728 2.021 1.00 1.00 H new ATOM 0 HD1 PHE A 87 6.640 -11.633 1.118 1.00 1.00 H new ATOM 0 HD2 PHE A 87 2.851 -11.193 -0.781 1.00 1.00 H new ATOM 0 HE1 PHE A 87 7.499 -9.711 -0.148 1.00 1.00 H new ATOM 0 HE2 PHE A 87 3.708 -9.272 -2.047 1.00 1.00 H new ATOM 0 HZ PHE A 87 6.032 -8.525 -1.732 1.00 1.00 H new ATOM 1206 N SER A 88 2.805 -14.872 -1.262 1.00 1.00 N ATOM 1207 CA SER A 88 2.153 -14.955 -2.563 1.00 1.00 C ATOM 1208 C SER A 88 1.237 -13.756 -2.777 1.00 1.00 C ATOM 1209 O SER A 88 0.612 -13.267 -1.836 1.00 1.00 O ATOM 1210 CB SER A 88 1.350 -16.253 -2.674 1.00 1.00 C ATOM 1211 OG SER A 88 2.124 -17.368 -2.269 1.00 1.00 O ATOM 0 H SER A 88 2.399 -15.475 -0.546 1.00 1.00 H new ATOM 0 HA SER A 88 2.923 -14.950 -3.334 1.00 1.00 H new ATOM 0 HB2 SER A 88 0.455 -16.184 -2.056 1.00 1.00 H new ATOM 0 HB3 SER A 88 1.017 -16.392 -3.703 1.00 1.00 H new ATOM 0 HG SER A 88 1.588 -18.184 -2.348 1.00 1.00 H new ATOM 1217 N VAL A 89 1.161 -13.282 -4.016 1.00 1.00 N ATOM 1218 CA VAL A 89 0.317 -12.136 -4.337 1.00 1.00 C ATOM 1219 C VAL A 89 -1.102 -12.565 -4.706 1.00 1.00 C ATOM 1220 O VAL A 89 -1.887 -11.763 -5.212 1.00 1.00 O ATOM 1221 CB VAL A 89 0.901 -11.288 -5.485 1.00 1.00 C ATOM 1222 CG1 VAL A 89 1.954 -10.333 -4.951 1.00 1.00 C ATOM 1223 CG2 VAL A 89 1.478 -12.169 -6.582 1.00 1.00 C ATOM 0 H VAL A 89 1.670 -13.670 -4.810 1.00 1.00 H new ATOM 0 HA VAL A 89 0.284 -11.527 -3.434 1.00 1.00 H new ATOM 0 HB VAL A 89 0.091 -10.704 -5.922 1.00 1.00 H new ATOM 0 HG11 VAL A 89 2.358 -9.741 -5.772 1.00 1.00 H new ATOM 0 HG12 VAL A 89 1.503 -9.670 -4.213 1.00 1.00 H new ATOM 0 HG13 VAL A 89 2.758 -10.902 -4.484 1.00 1.00 H new ATOM 0 HG21 VAL A 89 1.882 -11.542 -7.377 1.00 1.00 H new ATOM 0 HG22 VAL A 89 2.273 -12.790 -6.170 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.693 -12.807 -6.987 1.00 1.00 H new ATOM 1233 N LYS A 90 -1.431 -13.828 -4.445 1.00 1.00 N ATOM 1234 CA LYS A 90 -2.759 -14.347 -4.747 1.00 1.00 C ATOM 1235 C LYS A 90 -3.751 -13.947 -3.660 1.00 1.00 C ATOM 1236 O LYS A 90 -4.933 -13.733 -3.931 1.00 1.00 O ATOM 1237 CB LYS A 90 -2.717 -15.871 -4.885 1.00 1.00 C ATOM 1238 CG LYS A 90 -2.560 -16.347 -6.320 1.00 1.00 C ATOM 1239 CD LYS A 90 -2.274 -17.838 -6.384 1.00 1.00 C ATOM 1240 CE LYS A 90 -2.777 -18.447 -7.682 1.00 1.00 C ATOM 1241 NZ LYS A 90 -1.836 -19.468 -8.219 1.00 1.00 N ATOM 0 H LYS A 90 -0.797 -14.508 -4.026 1.00 1.00 H new ATOM 0 HA LYS A 90 -3.088 -13.917 -5.693 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -1.890 -16.259 -4.290 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -3.633 -16.291 -4.470 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -3.469 -16.125 -6.879 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -1.749 -15.799 -6.800 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -1.201 -18.008 -6.293 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -2.748 -18.337 -5.539 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -3.752 -18.905 -7.514 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -2.918 -17.659 -8.422 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -2.216 -19.859 -9.105 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -0.913 -19.026 -8.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -1.721 -20.233 -7.524 1.00 1.00 H new ATOM 1255 N GLU A 91 -3.260 -13.845 -2.429 1.00 1.00 N ATOM 1256 CA GLU A 91 -4.098 -13.466 -1.298 1.00 1.00 C ATOM 1257 C GLU A 91 -3.992 -11.969 -1.027 1.00 1.00 C ATOM 1258 O GLU A 91 -3.238 -11.536 -0.155 1.00 1.00 O ATOM 1259 CB GLU A 91 -3.696 -14.253 -0.050 1.00 1.00 C ATOM 1260 CG GLU A 91 -4.070 -15.725 -0.112 1.00 1.00 C ATOM 1261 CD GLU A 91 -4.965 -16.151 1.035 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -5.823 -15.344 1.449 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -4.808 -17.291 1.520 1.00 1.00 O ATOM 0 H GLU A 91 -2.284 -14.020 -2.190 1.00 1.00 H new ATOM 0 HA GLU A 91 -5.133 -13.702 -1.547 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -2.619 -14.166 0.093 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -4.170 -13.803 0.822 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -4.575 -15.928 -1.056 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -3.161 -16.327 -0.101 1.00 1.00 H new ATOM 1270 N HIS A 92 -4.750 -11.183 -1.785 1.00 1.00 N ATOM 1271 CA HIS A 92 -4.742 -9.731 -1.635 1.00 1.00 C ATOM 1272 C HIS A 92 -5.066 -9.321 -0.201 1.00 1.00 C ATOM 1273 O HIS A 92 -4.625 -8.271 0.268 1.00 1.00 O ATOM 1274 CB HIS A 92 -5.748 -9.098 -2.598 1.00 1.00 C ATOM 1275 CG HIS A 92 -5.325 -9.165 -4.033 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -4.104 -9.350 -4.590 1.00 1.00 N flip ATOM 1277 CD2 HIS A 92 -6.207 -9.033 -5.085 1.00 1.00 C flip ATOM 1278 CE1 HIS A 92 -4.271 -9.327 -5.953 1.00 1.00 C flip ATOM 1279 NE2 HIS A 92 -5.548 -9.135 -6.226 1.00 1.00 N flip ATOM 0 H HIS A 92 -5.379 -11.527 -2.511 1.00 1.00 H new ATOM 0 HA HIS A 92 -3.740 -9.374 -1.872 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -6.710 -9.599 -2.487 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -5.898 -8.055 -2.320 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -7.271 -8.871 -4.991 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -3.485 -9.447 -6.683 1.00 1.00 H new ATOM 0 HE2 HIS A 92 -5.957 -9.075 -7.159 1.00 1.00 H new ATOM 1288 N ARG A 93 -5.840 -10.152 0.490 1.00 1.00 N ATOM 1289 CA ARG A 93 -6.222 -9.870 1.869 1.00 1.00 C ATOM 1290 C ARG A 93 -5.000 -9.845 2.783 1.00 1.00 C ATOM 1291 O ARG A 93 -4.911 -9.021 3.693 1.00 1.00 O ATOM 1292 CB ARG A 93 -7.222 -10.916 2.367 1.00 1.00 C ATOM 1293 CG ARG A 93 -8.184 -10.386 3.418 1.00 1.00 C ATOM 1294 CD ARG A 93 -9.140 -11.468 3.894 1.00 1.00 C ATOM 1295 NE ARG A 93 -10.488 -10.949 4.114 1.00 1.00 N ATOM 1296 CZ ARG A 93 -11.568 -11.718 4.228 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -11.464 -13.038 4.145 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -12.757 -11.164 4.427 1.00 1.00 N ATOM 0 H ARG A 93 -6.214 -11.025 0.118 1.00 1.00 H new ATOM 0 HA ARG A 93 -6.690 -8.886 1.893 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -7.794 -11.292 1.519 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -6.674 -11.762 2.782 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -7.620 -9.998 4.266 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -8.752 -9.553 3.005 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -9.176 -12.270 3.157 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -8.763 -11.903 4.820 1.00 1.00 H new ATOM 0 HE ARG A 93 -10.608 -9.939 4.184 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -10.552 -13.469 3.993 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -12.296 -13.622 4.233 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -12.843 -10.150 4.492 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -13.586 -11.752 4.515 1.00 1.00 H new ATOM 1312 N ARG A 94 -4.062 -10.753 2.535 1.00 1.00 N ATOM 1313 CA ARG A 94 -2.846 -10.836 3.336 1.00 1.00 C ATOM 1314 C ARG A 94 -1.983 -9.590 3.154 1.00 1.00 C ATOM 1315 O ARG A 94 -1.515 -8.999 4.127 1.00 1.00 O ATOM 1316 CB ARG A 94 -2.047 -12.084 2.957 1.00 1.00 C ATOM 1317 CG ARG A 94 -1.395 -12.774 4.145 1.00 1.00 C ATOM 1318 CD ARG A 94 -0.558 -13.964 3.707 1.00 1.00 C ATOM 1319 NE ARG A 94 -0.013 -14.700 4.845 1.00 1.00 N ATOM 1320 CZ ARG A 94 -0.712 -15.572 5.568 1.00 1.00 C ATOM 1321 NH1 ARG A 94 -1.983 -15.820 5.275 1.00 1.00 N ATOM 1322 NH2 ARG A 94 -0.139 -16.199 6.587 1.00 1.00 N ATOM 0 H ARG A 94 -4.121 -11.442 1.785 1.00 1.00 H new ATOM 0 HA ARG A 94 -3.137 -10.901 4.385 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -2.709 -12.790 2.456 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.274 -11.807 2.240 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -0.766 -12.063 4.680 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -2.165 -13.106 4.842 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -1.169 -14.634 3.102 1.00 1.00 H new ATOM 0 HD3 ARG A 94 0.259 -13.619 3.074 1.00 1.00 H new ATOM 0 HE ARG A 94 0.961 -14.536 5.101 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -2.429 -15.341 4.492 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -2.514 -16.489 5.833 1.00 1.00 H new ATOM 0 HH21 ARG A 94 0.837 -16.013 6.816 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -0.675 -16.867 7.141 1.00 1.00 H new ATOM 1336 N ILE A 95 -1.775 -9.199 1.901 1.00 1.00 N ATOM 1337 CA ILE A 95 -0.967 -8.026 1.589 1.00 1.00 C ATOM 1338 C ILE A 95 -1.634 -6.747 2.084 1.00 1.00 C ATOM 1339 O ILE A 95 -1.061 -6.004 2.880 1.00 1.00 O ATOM 1340 CB ILE A 95 -0.713 -7.913 0.075 1.00 1.00 C ATOM 1341 CG1 ILE A 95 -0.095 -9.210 -0.450 1.00 1.00 C ATOM 1342 CG2 ILE A 95 0.187 -6.723 -0.229 1.00 1.00 C ATOM 1343 CD1 ILE A 95 0.269 -9.159 -1.916 1.00 1.00 C ATOM 0 H ILE A 95 -2.155 -9.678 1.085 1.00 1.00 H new ATOM 0 HA ILE A 95 -0.014 -8.150 2.102 1.00 1.00 H new ATOM 0 HB ILE A 95 -1.665 -7.753 -0.431 1.00 1.00 H new ATOM 0 HG12 ILE A 95 0.800 -9.437 0.130 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -0.796 -10.028 -0.287 1.00 1.00 H new ATOM 0 HG21 ILE A 95 0.355 -6.659 -1.304 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -0.291 -5.807 0.118 1.00 1.00 H new ATOM 0 HG23 ILE A 95 1.142 -6.849 0.281 1.00 1.00 H new ATOM 0 HD11 ILE A 95 0.701 -10.113 -2.217 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -0.626 -8.964 -2.507 1.00 1.00 H new ATOM 0 HD13 ILE A 95 0.995 -8.363 -2.083 1.00 1.00 H new ATOM 1355 N TYR A 96 -2.850 -6.495 1.607 1.00 1.00 N ATOM 1356 CA TYR A 96 -3.600 -5.304 2.001 1.00 1.00 C ATOM 1357 C TYR A 96 -3.558 -5.101 3.515 1.00 1.00 C ATOM 1358 O TYR A 96 -3.650 -3.975 4.004 1.00 1.00 O ATOM 1359 CB TYR A 96 -5.051 -5.416 1.532 1.00 1.00 C ATOM 1360 CG TYR A 96 -5.796 -4.100 1.538 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -5.639 -3.186 0.503 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -6.656 -3.772 2.579 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -6.319 -1.982 0.506 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -7.339 -2.571 2.588 1.00 1.00 C ATOM 1365 CZ TYR A 96 -7.168 -1.680 1.550 1.00 1.00 C ATOM 1366 OH TYR A 96 -7.847 -0.484 1.556 1.00 1.00 O ATOM 0 H TYR A 96 -3.338 -7.100 0.946 1.00 1.00 H new ATOM 0 HA TYR A 96 -3.133 -4.441 1.527 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -5.066 -5.827 0.523 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -5.577 -6.124 2.173 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -4.976 -3.420 -0.316 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -6.793 -4.467 3.394 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -6.186 -1.282 -0.305 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -8.004 -2.331 3.405 1.00 1.00 H new ATOM 0 HH TYR A 96 -8.403 -0.428 2.361 1.00 1.00 H new ATOM 1376 N ALA A 97 -3.419 -6.199 4.252 1.00 1.00 N ATOM 1377 CA ALA A 97 -3.365 -6.142 5.707 1.00 1.00 C ATOM 1378 C ALA A 97 -2.002 -5.663 6.198 1.00 1.00 C ATOM 1379 O ALA A 97 -1.904 -4.640 6.875 1.00 1.00 O ATOM 1380 CB ALA A 97 -3.690 -7.506 6.298 1.00 1.00 C ATOM 0 H ALA A 97 -3.342 -7.139 3.864 1.00 1.00 H new ATOM 0 HA ALA A 97 -4.111 -5.421 6.042 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -3.646 -7.451 7.386 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -4.691 -7.807 5.990 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -2.965 -8.239 5.943 1.00 1.00 H new ATOM 1386 N MET A 98 -0.953 -6.411 5.860 1.00 1.00 N ATOM 1387 CA MET A 98 0.404 -6.065 6.276 1.00 1.00 C ATOM 1388 C MET A 98 0.786 -4.660 5.819 1.00 1.00 C ATOM 1389 O MET A 98 1.441 -3.918 6.552 1.00 1.00 O ATOM 1390 CB MET A 98 1.403 -7.099 5.743 1.00 1.00 C ATOM 1391 CG MET A 98 1.736 -6.947 4.267 1.00 1.00 C ATOM 1392 SD MET A 98 2.217 -8.511 3.509 1.00 1.00 S ATOM 1393 CE MET A 98 2.748 -7.958 1.891 1.00 1.00 C ATOM 0 H MET A 98 -1.017 -7.261 5.299 1.00 1.00 H new ATOM 0 HA MET A 98 0.436 -6.076 7.365 1.00 1.00 H new ATOM 0 HB2 MET A 98 2.325 -7.027 6.320 1.00 1.00 H new ATOM 0 HB3 MET A 98 0.999 -8.097 5.911 1.00 1.00 H new ATOM 0 HG2 MET A 98 0.871 -6.542 3.742 1.00 1.00 H new ATOM 0 HG3 MET A 98 2.545 -6.226 4.152 1.00 1.00 H new ATOM 0 HE1 MET A 98 2.023 -8.276 1.142 1.00 1.00 H new ATOM 0 HE2 MET A 98 2.823 -6.871 1.885 1.00 1.00 H new ATOM 0 HE3 MET A 98 3.722 -8.390 1.660 1.00 1.00 H new ATOM 1403 N ILE A 99 0.368 -4.292 4.614 1.00 1.00 N ATOM 1404 CA ILE A 99 0.666 -2.968 4.083 1.00 1.00 C ATOM 1405 C ILE A 99 -0.110 -1.900 4.844 1.00 1.00 C ATOM 1406 O ILE A 99 0.346 -0.765 4.982 1.00 1.00 O ATOM 1407 CB ILE A 99 0.327 -2.868 2.584 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -1.142 -3.223 2.345 1.00 1.00 C ATOM 1409 CG2 ILE A 99 1.239 -3.777 1.773 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -2.020 -2.018 2.090 1.00 1.00 C ATOM 0 H ILE A 99 -0.175 -4.888 3.989 1.00 1.00 H new ATOM 0 HA ILE A 99 1.736 -2.804 4.209 1.00 1.00 H new ATOM 0 HB ILE A 99 0.489 -1.841 2.258 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -1.210 -3.899 1.493 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -1.523 -3.763 3.212 1.00 1.00 H new ATOM 0 HG21 ILE A 99 0.987 -3.695 0.716 1.00 1.00 H new ATOM 0 HG22 ILE A 99 2.277 -3.479 1.923 1.00 1.00 H new ATOM 0 HG23 ILE A 99 1.107 -4.809 2.099 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -3.048 -2.344 1.929 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -1.982 -1.351 2.951 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -1.664 -1.489 1.206 1.00 1.00 H new ATOM 1422 N SER A 100 -1.284 -2.276 5.344 1.00 1.00 N ATOM 1423 CA SER A 100 -2.123 -1.355 6.100 1.00 1.00 C ATOM 1424 C SER A 100 -1.575 -1.164 7.510 1.00 1.00 C ATOM 1425 O SER A 100 -1.494 -0.042 8.010 1.00 1.00 O ATOM 1426 CB SER A 100 -3.561 -1.874 6.164 1.00 1.00 C ATOM 1427 OG SER A 100 -4.301 -1.467 5.026 1.00 1.00 O ATOM 0 H SER A 100 -1.675 -3.212 5.239 1.00 1.00 H new ATOM 0 HA SER A 100 -2.118 -0.392 5.590 1.00 1.00 H new ATOM 0 HB2 SER A 100 -3.556 -2.962 6.228 1.00 1.00 H new ATOM 0 HB3 SER A 100 -4.045 -1.504 7.068 1.00 1.00 H new ATOM 0 HG SER A 100 -4.309 -2.190 4.365 1.00 1.00 H new ATOM 1433 N ARG A 101 -1.195 -2.269 8.146 1.00 1.00 N ATOM 1434 CA ARG A 101 -0.648 -2.219 9.499 1.00 1.00 C ATOM 1435 C ARG A 101 0.732 -1.564 9.518 1.00 1.00 C ATOM 1436 O ARG A 101 1.268 -1.261 10.584 1.00 1.00 O ATOM 1437 CB ARG A 101 -0.565 -3.620 10.112 1.00 1.00 C ATOM 1438 CG ARG A 101 0.013 -4.661 9.185 1.00 1.00 C ATOM 1439 CD ARG A 101 -0.583 -6.035 9.451 1.00 1.00 C ATOM 1440 NE ARG A 101 0.447 -7.068 9.536 1.00 1.00 N ATOM 1441 CZ ARG A 101 0.261 -8.257 10.105 1.00 1.00 C ATOM 1442 NH1 ARG A 101 -0.913 -8.568 10.641 1.00 1.00 N ATOM 1443 NH2 ARG A 101 1.252 -9.137 10.139 1.00 1.00 N ATOM 0 H ARG A 101 -1.255 -3.206 7.748 1.00 1.00 H new ATOM 0 HA ARG A 101 -1.327 -1.613 10.098 1.00 1.00 H new ATOM 0 HB2 ARG A 101 0.043 -3.575 11.016 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -1.564 -3.933 10.415 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -0.177 -4.375 8.151 1.00 1.00 H new ATOM 0 HG3 ARG A 101 1.095 -4.702 9.311 1.00 1.00 H new ATOM 0 HD2 ARG A 101 -1.151 -6.011 10.381 1.00 1.00 H new ATOM 0 HD3 ARG A 101 -1.285 -6.287 8.656 1.00 1.00 H new ATOM 0 HE ARG A 101 1.363 -6.866 9.135 1.00 1.00 H new ATOM 0 HH11 ARG A 101 -1.679 -7.894 10.618 1.00 1.00 H new ATOM 0 HH12 ARG A 101 -1.050 -9.481 11.076 1.00 1.00 H new ATOM 0 HH21 ARG A 101 2.156 -8.903 9.729 1.00 1.00 H new ATOM 0 HH22 ARG A 101 1.110 -10.048 10.575 1.00 1.00 H new ATOM 1457 N ASN A 102 1.307 -1.350 8.336 1.00 1.00 N ATOM 1458 CA ASN A 102 2.625 -0.735 8.229 1.00 1.00 C ATOM 1459 C ASN A 102 2.515 0.751 7.900 1.00 1.00 C ATOM 1460 O ASN A 102 3.385 1.315 7.236 1.00 1.00 O ATOM 1461 CB ASN A 102 3.450 -1.450 7.160 1.00 1.00 C ATOM 1462 CG ASN A 102 3.963 -2.794 7.638 1.00 1.00 C ATOM 1463 OD1 ASN A 102 3.939 -3.090 8.832 1.00 1.00 O ATOM 1464 ND2 ASN A 102 4.430 -3.617 6.707 1.00 1.00 N ATOM 0 H ASN A 102 0.881 -1.593 7.442 1.00 1.00 H new ATOM 0 HA ASN A 102 3.124 -0.831 9.193 1.00 1.00 H new ATOM 0 HB2 ASN A 102 2.841 -1.592 6.267 1.00 1.00 H new ATOM 0 HB3 ASN A 102 4.293 -0.822 6.874 1.00 1.00 H new ATOM 0 HD21 ASN A 102 4.787 -4.535 6.971 1.00 1.00 H new ATOM 0 HD22 ASN A 102 4.431 -3.331 5.728 1.00 1.00 H new ATOM 1471 N LEU A 103 1.445 1.382 8.373 1.00 1.00 N ATOM 1472 CA LEU A 103 1.227 2.805 8.131 1.00 1.00 C ATOM 1473 C LEU A 103 1.186 3.579 9.445 1.00 1.00 C ATOM 1474 O LEU A 103 0.390 3.271 10.332 1.00 1.00 O ATOM 1475 CB LEU A 103 -0.077 3.025 7.364 1.00 1.00 C ATOM 1476 CG LEU A 103 -0.356 2.015 6.250 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -1.829 2.035 5.875 1.00 1.00 C ATOM 1478 CD2 LEU A 103 0.510 2.310 5.034 1.00 1.00 C ATOM 0 H LEU A 103 0.716 0.931 8.926 1.00 1.00 H new ATOM 0 HA LEU A 103 2.060 3.174 7.532 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -0.905 2.999 8.072 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -0.060 4.025 6.930 1.00 1.00 H new ATOM 0 HG LEU A 103 -0.106 1.019 6.615 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -2.012 1.311 5.081 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -2.430 1.777 6.747 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -2.103 3.031 5.528 1.00 1.00 H new ATOM 0 HD21 LEU A 103 0.298 1.582 4.251 1.00 1.00 H new ATOM 0 HD22 LEU A 103 0.291 3.312 4.666 1.00 1.00 H new ATOM 0 HD23 LEU A 103 1.562 2.248 5.313 1.00 1.00 H new ATOM 1490 N VAL A 104 2.046 4.585 9.563 1.00 1.00 N ATOM 1491 CA VAL A 104 2.101 5.400 10.770 1.00 1.00 C ATOM 1492 C VAL A 104 0.830 6.230 10.930 1.00 1.00 C ATOM 1493 O VAL A 104 0.204 6.227 11.990 1.00 1.00 O ATOM 1494 CB VAL A 104 3.326 6.338 10.769 1.00 1.00 C ATOM 1495 CG1 VAL A 104 4.614 5.533 10.840 1.00 1.00 C ATOM 1496 CG2 VAL A 104 3.321 7.240 9.541 1.00 1.00 C ATOM 0 H VAL A 104 2.713 4.855 8.840 1.00 1.00 H new ATOM 0 HA VAL A 104 2.190 4.712 11.611 1.00 1.00 H new ATOM 0 HB VAL A 104 3.268 6.973 11.653 1.00 1.00 H new ATOM 0 HG11 VAL A 104 5.467 6.211 10.838 1.00 1.00 H new ATOM 0 HG12 VAL A 104 4.623 4.941 11.755 1.00 1.00 H new ATOM 0 HG13 VAL A 104 4.676 4.869 9.978 1.00 1.00 H new ATOM 0 HG21 VAL A 104 4.195 7.891 9.564 1.00 1.00 H new ATOM 0 HG22 VAL A 104 3.349 6.628 8.640 1.00 1.00 H new ATOM 0 HG23 VAL A 104 2.416 7.847 9.539 1.00 1.00 H new ATOM 1506 N SER A 105 0.452 6.937 9.869 1.00 1.00 N ATOM 1507 CA SER A 105 -0.747 7.768 9.889 1.00 1.00 C ATOM 1508 C SER A 105 -1.853 7.147 9.040 1.00 1.00 C ATOM 1509 O SER A 105 -1.707 6.998 7.827 1.00 1.00 O ATOM 1510 CB SER A 105 -0.428 9.175 9.382 1.00 1.00 C ATOM 1511 OG SER A 105 -1.321 10.129 9.930 1.00 1.00 O ATOM 0 H SER A 105 0.959 6.951 8.984 1.00 1.00 H new ATOM 0 HA SER A 105 -1.097 7.832 10.919 1.00 1.00 H new ATOM 0 HB2 SER A 105 0.596 9.437 9.647 1.00 1.00 H new ATOM 0 HB3 SER A 105 -0.491 9.196 8.294 1.00 1.00 H new ATOM 0 HG SER A 105 -1.095 11.021 9.592 1.00 1.00 H new ATOM 1517 N ALA A 106 -2.959 6.789 9.684 1.00 1.00 N ATOM 1518 CA ALA A 106 -4.088 6.187 8.983 1.00 1.00 C ATOM 1519 C ALA A 106 -5.299 7.114 8.994 1.00 1.00 C ATOM 1520 O ALA A 106 -5.897 7.356 10.043 1.00 1.00 O ATOM 1521 CB ALA A 106 -4.442 4.846 9.609 1.00 1.00 C ATOM 0 H ALA A 106 -3.098 6.905 10.688 1.00 1.00 H new ATOM 0 HA ALA A 106 -3.796 6.026 7.945 1.00 1.00 H new ATOM 0 HB1 ALA A 106 -5.286 4.407 9.077 1.00 1.00 H new ATOM 0 HB2 ALA A 106 -3.584 4.176 9.544 1.00 1.00 H new ATOM 0 HB3 ALA A 106 -4.710 4.992 10.655 1.00 1.00 H new ATOM 1527 N ASN A 107 -5.657 7.630 7.822 1.00 1.00 N ATOM 1528 CA ASN A 107 -6.799 8.529 7.703 1.00 1.00 C ATOM 1529 C ASN A 107 -8.071 7.754 7.372 1.00 1.00 C ATOM 1530 O ASN A 107 -8.284 7.351 6.229 1.00 1.00 O ATOM 1531 CB ASN A 107 -6.536 9.584 6.627 1.00 1.00 C ATOM 1532 CG ASN A 107 -5.747 10.765 7.156 1.00 1.00 C ATOM 1533 OD1 ASN A 107 -6.145 11.407 8.128 1.00 1.00 O ATOM 1534 ND2 ASN A 107 -4.621 11.059 6.516 1.00 1.00 N ATOM 0 H ASN A 107 -5.174 7.441 6.944 1.00 1.00 H new ATOM 0 HA ASN A 107 -6.938 9.026 8.663 1.00 1.00 H new ATOM 0 HB2 ASN A 107 -5.991 9.128 5.800 1.00 1.00 H new ATOM 0 HB3 ASN A 107 -7.487 9.936 6.227 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -4.048 11.844 6.826 1.00 1.00 H new ATOM 0 HD22 ASN A 107 -4.329 10.500 5.715 1.00 1.00 H new ATOM 1541 N VAL A 108 -8.911 7.549 8.381 1.00 1.00 N ATOM 1542 CA VAL A 108 -10.161 6.822 8.199 1.00 1.00 C ATOM 1543 C VAL A 108 -11.326 7.782 7.964 1.00 1.00 C ATOM 1544 O VAL A 108 -11.250 8.962 8.303 1.00 1.00 O ATOM 1545 CB VAL A 108 -10.471 5.913 9.410 1.00 1.00 C ATOM 1546 CG1 VAL A 108 -11.132 6.700 10.534 1.00 1.00 C ATOM 1547 CG2 VAL A 108 -11.347 4.744 8.985 1.00 1.00 C ATOM 0 H VAL A 108 -8.748 7.876 9.333 1.00 1.00 H new ATOM 0 HA VAL A 108 -10.038 6.192 7.318 1.00 1.00 H new ATOM 0 HB VAL A 108 -9.527 5.521 9.789 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -11.338 6.034 11.372 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.465 7.498 10.860 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -12.066 7.132 10.175 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -11.556 4.113 9.849 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -12.284 5.121 8.576 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -10.829 4.159 8.225 1.00 1.00 H new ATOM 1557 N LYS A 109 -12.402 7.264 7.383 1.00 1.00 N ATOM 1558 CA LYS A 109 -13.583 8.069 7.103 1.00 1.00 C ATOM 1559 C LYS A 109 -14.418 8.259 8.367 1.00 1.00 C ATOM 1560 O LYS A 109 -14.805 7.289 9.019 1.00 1.00 O ATOM 1561 CB LYS A 109 -14.419 7.406 6.003 1.00 1.00 C ATOM 1562 CG LYS A 109 -15.832 7.952 5.887 1.00 1.00 C ATOM 1563 CD LYS A 109 -16.592 7.296 4.745 1.00 1.00 C ATOM 1564 CE LYS A 109 -17.064 5.900 5.119 1.00 1.00 C ATOM 1565 NZ LYS A 109 -18.513 5.876 5.461 1.00 1.00 N ATOM 0 H LYS A 109 -12.480 6.288 7.097 1.00 1.00 H new ATOM 0 HA LYS A 109 -13.262 9.052 6.758 1.00 1.00 H new ATOM 0 HB2 LYS A 109 -13.911 7.535 5.047 1.00 1.00 H new ATOM 0 HB3 LYS A 109 -14.469 6.334 6.195 1.00 1.00 H new ATOM 0 HG2 LYS A 109 -16.365 7.786 6.823 1.00 1.00 H new ATOM 0 HG3 LYS A 109 -15.795 9.030 5.729 1.00 1.00 H new ATOM 0 HD2 LYS A 109 -17.450 7.912 4.477 1.00 1.00 H new ATOM 0 HD3 LYS A 109 -15.952 7.241 3.865 1.00 1.00 H new ATOM 0 HE2 LYS A 109 -16.876 5.219 4.289 1.00 1.00 H new ATOM 0 HE3 LYS A 109 -16.485 5.536 5.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 109 -18.795 4.906 5.710 1.00 1.00 H new ATOM 0 HZ2 LYS A 109 -18.689 6.506 6.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 109 -19.068 6.199 4.643 1.00 1.00 H new ATOM 1579 N GLU A 110 -14.692 9.514 8.707 1.00 1.00 N ATOM 1580 CA GLU A 110 -15.481 9.831 9.892 1.00 1.00 C ATOM 1581 C GLU A 110 -16.144 11.198 9.754 1.00 1.00 C ATOM 1582 O GLU A 110 -15.633 12.200 10.252 1.00 1.00 O ATOM 1583 CB GLU A 110 -14.597 9.805 11.140 1.00 1.00 C ATOM 1584 CG GLU A 110 -13.417 10.761 11.070 1.00 1.00 C ATOM 1585 CD GLU A 110 -12.114 10.112 11.494 1.00 1.00 C ATOM 1586 OE1 GLU A 110 -12.100 9.440 12.547 1.00 1.00 O ATOM 1587 OE2 GLU A 110 -11.107 10.276 10.774 1.00 1.00 O ATOM 0 H GLU A 110 -14.379 10.328 8.179 1.00 1.00 H new ATOM 0 HA GLU A 110 -16.261 9.076 9.991 1.00 1.00 H new ATOM 0 HB2 GLU A 110 -15.204 10.054 12.010 1.00 1.00 H new ATOM 0 HB3 GLU A 110 -14.225 8.792 11.290 1.00 1.00 H new ATOM 0 HG2 GLU A 110 -13.317 11.135 10.051 1.00 1.00 H new ATOM 0 HG3 GLU A 110 -13.614 11.622 11.708 1.00 1.00 H new ATOM 1594 N SER A 111 -17.286 11.230 9.074 1.00 1.00 N ATOM 1595 CA SER A 111 -18.020 12.473 8.870 1.00 1.00 C ATOM 1596 C SER A 111 -18.823 12.841 10.113 1.00 1.00 C ATOM 1597 O SER A 111 -19.355 11.970 10.801 1.00 1.00 O ATOM 1598 CB SER A 111 -18.953 12.348 7.664 1.00 1.00 C ATOM 1599 OG SER A 111 -19.006 13.560 6.932 1.00 1.00 O ATOM 0 H SER A 111 -17.723 10.409 8.655 1.00 1.00 H new ATOM 0 HA SER A 111 -17.296 13.265 8.679 1.00 1.00 H new ATOM 0 HB2 SER A 111 -18.608 11.543 7.015 1.00 1.00 H new ATOM 0 HB3 SER A 111 -19.954 12.079 8.001 1.00 1.00 H new ATOM 0 HG SER A 111 -19.607 13.453 6.166 1.00 1.00 H new ATOM 1605 N SER A 112 -18.906 14.137 10.396 1.00 1.00 N ATOM 1606 CA SER A 112 -19.645 14.621 11.556 1.00 1.00 C ATOM 1607 C SER A 112 -21.088 14.946 11.186 1.00 1.00 C ATOM 1608 O SER A 112 -21.354 15.914 10.473 1.00 1.00 O ATOM 1609 CB SER A 112 -18.965 15.860 12.140 1.00 1.00 C ATOM 1610 OG SER A 112 -17.765 15.515 12.811 1.00 1.00 O ATOM 0 H SER A 112 -18.470 14.871 9.838 1.00 1.00 H new ATOM 0 HA SER A 112 -19.651 13.830 12.306 1.00 1.00 H new ATOM 0 HB2 SER A 112 -18.748 16.570 11.342 1.00 1.00 H new ATOM 0 HB3 SER A 112 -19.643 16.358 12.833 1.00 1.00 H new ATOM 0 HG SER A 112 -17.349 16.325 13.174 1.00 1.00 H new ATOM 1616 N GLU A 113 -22.017 14.130 11.673 1.00 1.00 N ATOM 1617 CA GLU A 113 -23.434 14.331 11.393 1.00 1.00 C ATOM 1618 C GLU A 113 -23.937 15.623 12.029 1.00 1.00 C ATOM 1619 O GLU A 113 -23.699 15.879 13.209 1.00 1.00 O ATOM 1620 CB GLU A 113 -24.250 13.144 11.909 1.00 1.00 C ATOM 1621 CG GLU A 113 -23.707 11.795 11.468 1.00 1.00 C ATOM 1622 CD GLU A 113 -24.581 10.640 11.917 1.00 1.00 C ATOM 1623 OE1 GLU A 113 -24.768 10.478 13.141 1.00 1.00 O ATOM 1624 OE2 GLU A 113 -25.077 9.897 11.044 1.00 1.00 O ATOM 0 H GLU A 113 -21.814 13.323 12.263 1.00 1.00 H new ATOM 0 HA GLU A 113 -23.558 14.407 10.313 1.00 1.00 H new ATOM 0 HB2 GLU A 113 -24.276 13.178 12.998 1.00 1.00 H new ATOM 0 HB3 GLU A 113 -25.279 13.243 11.563 1.00 1.00 H new ATOM 0 HG2 GLU A 113 -23.621 11.780 10.382 1.00 1.00 H new ATOM 0 HG3 GLU A 113 -22.702 11.663 11.869 1.00 1.00 H new ATOM 1631 N ASP A 114 -24.634 16.433 11.239 1.00 1.00 N ATOM 1632 CA ASP A 114 -25.171 17.699 11.724 1.00 1.00 C ATOM 1633 C ASP A 114 -26.568 17.509 12.306 1.00 1.00 C ATOM 1634 O ASP A 114 -27.428 16.880 11.689 1.00 1.00 O ATOM 1635 CB ASP A 114 -25.212 18.727 10.592 1.00 1.00 C ATOM 1636 CG ASP A 114 -26.080 18.278 9.434 1.00 1.00 C ATOM 1637 OD1 ASP A 114 -25.599 17.474 8.608 1.00 1.00 O ATOM 1638 OD2 ASP A 114 -27.242 18.729 9.353 1.00 1.00 O ATOM 0 H ASP A 114 -24.840 16.235 10.260 1.00 1.00 H new ATOM 0 HA ASP A 114 -24.515 18.065 12.513 1.00 1.00 H new ATOM 0 HB2 ASP A 114 -25.588 19.674 10.979 1.00 1.00 H new ATOM 0 HB3 ASP A 114 -24.199 18.909 10.234 1.00 1.00 H new ATOM 1643 N ILE A 115 -26.792 18.070 13.490 1.00 1.00 N ATOM 1644 CA ILE A 115 -28.078 17.978 14.146 1.00 1.00 C ATOM 1645 C ILE A 115 -28.755 19.338 14.169 1.00 1.00 C ATOM 1646 O ILE A 115 -28.420 20.206 14.975 1.00 1.00 O ATOM 1647 CB ILE A 115 -27.941 17.449 15.583 1.00 1.00 C ATOM 1648 CG1 ILE A 115 -27.242 16.091 15.576 1.00 1.00 C ATOM 1649 CG2 ILE A 115 -29.307 17.343 16.249 1.00 1.00 C ATOM 1650 CD1 ILE A 115 -27.986 15.024 14.800 1.00 1.00 C ATOM 0 H ILE A 115 -26.090 18.595 14.012 1.00 1.00 H new ATOM 0 HA ILE A 115 -28.687 17.275 13.578 1.00 1.00 H new ATOM 0 HB ILE A 115 -27.337 18.152 16.157 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -26.245 16.208 15.150 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -27.112 15.755 16.605 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -29.188 16.967 17.265 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -29.775 18.327 16.279 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -29.937 16.659 15.680 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -27.428 14.089 14.841 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -28.973 14.877 15.238 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -28.093 15.337 13.762 1.00 1.00 H new ATOM 1662 N PHE A 116 -29.708 19.506 13.276 1.00 1.00 N ATOM 1663 CA PHE A 116 -30.456 20.753 13.167 1.00 1.00 C ATOM 1664 C PHE A 116 -31.892 20.571 13.650 1.00 1.00 C ATOM 1665 O PHE A 116 -32.515 21.512 14.141 1.00 1.00 O ATOM 1666 CB PHE A 116 -30.448 21.251 11.720 1.00 1.00 C ATOM 1667 CG PHE A 116 -29.478 22.371 11.476 1.00 1.00 C ATOM 1668 CD1 PHE A 116 -29.706 23.630 12.008 1.00 1.00 C ATOM 1669 CD2 PHE A 116 -28.339 22.165 10.715 1.00 1.00 C ATOM 1670 CE1 PHE A 116 -28.815 24.663 11.785 1.00 1.00 C ATOM 1671 CE2 PHE A 116 -27.445 23.195 10.488 1.00 1.00 C ATOM 1672 CZ PHE A 116 -27.683 24.445 11.024 1.00 1.00 C ATOM 0 H PHE A 116 -29.989 18.790 12.606 1.00 1.00 H new ATOM 0 HA PHE A 116 -29.972 21.496 13.801 1.00 1.00 H new ATOM 0 HB2 PHE A 116 -30.203 20.419 11.059 1.00 1.00 H new ATOM 0 HB3 PHE A 116 -31.451 21.585 11.454 1.00 1.00 H new ATOM 0 HD1 PHE A 116 -30.590 23.806 12.603 1.00 1.00 H new ATOM 0 HD2 PHE A 116 -28.147 21.189 10.294 1.00 1.00 H new ATOM 0 HE1 PHE A 116 -29.004 25.640 12.205 1.00 1.00 H new ATOM 0 HE2 PHE A 116 -26.561 23.022 9.892 1.00 1.00 H new ATOM 0 HZ PHE A 116 -26.985 25.251 10.849 1.00 1.00 H new ATOM 1682 N GLY A 117 -32.411 19.356 13.507 1.00 1.00 N ATOM 1683 CA GLY A 117 -33.769 19.074 13.933 1.00 1.00 C ATOM 1684 C GLY A 117 -34.677 18.709 12.775 1.00 1.00 C ATOM 1685 O GLY A 117 -35.859 19.053 12.771 1.00 1.00 O ATOM 0 H GLY A 117 -31.915 18.561 13.103 1.00 1.00 H new ATOM 0 HA2 GLY A 117 -33.758 18.256 14.653 1.00 1.00 H new ATOM 0 HA3 GLY A 117 -34.174 19.946 14.447 1.00 1.00 H new ATOM 1689 N ASN A 118 -34.123 18.010 11.789 1.00 1.00 N ATOM 1690 CA ASN A 118 -34.890 17.598 10.620 1.00 1.00 C ATOM 1691 C ASN A 118 -34.793 16.090 10.409 1.00 1.00 C ATOM 1692 O ASN A 118 -33.736 15.570 10.053 1.00 1.00 O ATOM 1693 CB ASN A 118 -34.392 18.331 9.373 1.00 1.00 C ATOM 1694 CG ASN A 118 -35.517 18.672 8.415 1.00 1.00 C ATOM 1695 OD1 ASN A 118 -36.652 18.906 8.830 1.00 1.00 O ATOM 1696 ND2 ASN A 118 -35.206 18.702 7.124 1.00 1.00 N ATOM 0 H ASN A 118 -33.146 17.717 11.777 1.00 1.00 H new ATOM 0 HA ASN A 118 -35.935 17.857 10.793 1.00 1.00 H new ATOM 0 HB2 ASN A 118 -33.883 19.247 9.672 1.00 1.00 H new ATOM 0 HB3 ASN A 118 -33.657 17.711 8.860 1.00 1.00 H new ATOM 0 HD21 ASN A 118 -35.921 18.926 6.432 1.00 1.00 H new ATOM 0 HD22 ASN A 118 -34.252 18.501 6.824 1.00 1.00 H new ATOM 1703 N VAL A 119 -35.903 15.394 10.632 1.00 1.00 N ATOM 1704 CA VAL A 119 -35.944 13.946 10.466 1.00 1.00 C ATOM 1705 C VAL A 119 -36.221 13.566 9.016 1.00 1.00 C ATOM 1706 O VAL A 119 -37.046 14.188 8.348 1.00 1.00 O ATOM 1707 CB VAL A 119 -37.018 13.308 11.366 1.00 1.00 C ATOM 1708 CG1 VAL A 119 -36.620 13.410 12.830 1.00 1.00 C ATOM 1709 CG2 VAL A 119 -38.371 13.960 11.127 1.00 1.00 C ATOM 0 H VAL A 119 -36.786 15.810 10.928 1.00 1.00 H new ATOM 0 HA VAL A 119 -34.964 13.567 10.757 1.00 1.00 H new ATOM 0 HB VAL A 119 -37.099 12.252 11.109 1.00 1.00 H new ATOM 0 HG11 VAL A 119 -37.392 12.954 13.450 1.00 1.00 H new ATOM 0 HG12 VAL A 119 -35.675 12.891 12.987 1.00 1.00 H new ATOM 0 HG13 VAL A 119 -36.508 14.459 13.104 1.00 1.00 H new ATOM 0 HG21 VAL A 119 -39.117 13.496 11.772 1.00 1.00 H new ATOM 0 HG22 VAL A 119 -38.307 15.024 11.353 1.00 1.00 H new ATOM 0 HG23 VAL A 119 -38.660 13.828 10.084 1.00 1.00 H new TER 1719 VAL A 119 HETATM 1720 C1 IMY A 120 0.796 -8.161 -9.310 1.00 1.00 C HETATM 1721 N2 IMY A 120 1.461 -7.014 -9.300 1.00 1.00 N HETATM 1722 C3 IMY A 120 0.881 -6.132 -8.240 1.00 1.00 C HETATM 1723 C4 IMY A 120 -0.572 -6.720 -8.178 1.00 1.00 C HETATM 1724 N5 IMY A 120 -0.337 -8.101 -8.609 1.00 1.00 N HETATM 1725 C13 IMY A 120 1.655 -6.202 -6.933 1.00 1.00 C HETATM 1726 C14 IMY A 120 1.436 -5.217 -5.954 1.00 1.00 C HETATM 1727 C15 IMY A 120 2.044 -5.306 -4.697 1.00 1.00 C HETATM 1728 C16 IMY A 120 2.853 -6.387 -4.390 1.00 1.00 C HETATM 1729 C17 IMY A 120 3.113 -7.344 -5.356 1.00 1.00 C HETATM 1730 C18 IMY A 120 2.528 -7.258 -6.617 1.00 1.00 C HETATM 1731 CL16 IMY A 120 3.538 -6.539 -2.823 1.00 1.00 CL HETATM 1732 C20 IMY A 120 -2.414 -5.661 -6.822 1.00 1.00 C HETATM 1733 C21 IMY A 120 -3.204 -5.554 -5.678 1.00 1.00 C HETATM 1734 C22 IMY A 120 -2.993 -6.416 -4.609 1.00 1.00 C HETATM 1735 C23 IMY A 120 -2.002 -7.388 -4.679 1.00 1.00 C HETATM 1736 C24 IMY A 120 -1.253 -7.533 -5.846 1.00 1.00 C HETATM 1737 C19 IMY A 120 -1.420 -6.653 -6.929 1.00 1.00 C HETATM 1738 CL22 IMY A 120 -3.965 -6.292 -3.199 1.00 1.00 CL HETATM 1739 C28 IMY A 120 2.675 -11.090 -10.869 1.00 1.00 C HETATM 1740 C29 IMY A 120 2.436 -9.788 -10.385 1.00 1.00 C HETATM 1741 C34 IMY A 120 1.136 -9.438 -9.958 1.00 1.00 C HETATM 1742 C25 IMY A 120 0.112 -10.409 -10.050 1.00 1.00 C HETATM 1743 C26 IMY A 120 0.364 -11.691 -10.528 1.00 1.00 C HETATM 1744 C27 IMY A 120 1.652 -12.034 -10.933 1.00 1.00 C HETATM 1745 O3 IMY A 120 3.423 -8.815 -10.282 1.00 1.00 O HETATM 1746 C31 IMY A 120 4.815 -9.220 -10.261 1.00 1.00 C HETATM 1747 C32 IMY A 120 5.711 -8.084 -9.766 1.00 1.00 C HETATM 1748 C33 IMY A 120 4.923 -10.399 -9.303 1.00 1.00 C HETATM 1749 O2 IMY A 120 2.045 -13.287 -11.379 1.00 1.00 O HETATM 1750 C30 IMY A 120 0.995 -14.169 -11.795 1.00 1.00 C HETATM 0 H333 IMY A 120 4.597 -10.091 -8.309 1.00 1.00 H new HETATM 0 H332 IMY A 120 4.291 -11.214 -9.656 1.00 1.00 H new HETATM 0 H331 IMY A 120 5.958 -10.737 -9.257 1.00 1.00 H new HETATM 0 H323 IMY A 120 5.608 -7.224 -10.428 1.00 1.00 H new HETATM 0 H322 IMY A 120 5.415 -7.801 -8.756 1.00 1.00 H new HETATM 0 H321 IMY A 120 6.749 -8.416 -9.760 1.00 1.00 H new HETATM 0 H302 IMY A 120 0.317 -14.347 -10.960 1.00 1.00 H new HETATM 0 H301 IMY A 120 0.445 -13.716 -12.620 1.00 1.00 H new HETATM 0 H4 IMY A 120 -1.215 -6.080 -8.781 1.00 1.00 H new HETATM 0 H31 IMY A 120 5.140 -9.486 -11.267 1.00 1.00 H new HETATM 0 H30 IMY A 120 1.424 -15.116 -12.122 1.00 1.00 H new HETATM 0 H3 IMY A 120 0.912 -5.061 -8.442 1.00 1.00 H new HETATM 0 H28 IMY A 120 3.677 -11.363 -11.199 1.00 1.00 H new HETATM 0 H26 IMY A 120 -0.442 -12.423 -10.585 1.00 1.00 H new HETATM 0 H25 IMY A 120 -0.899 -10.147 -9.739 1.00 1.00 H new HETATM 0 H24 IMY A 120 -0.526 -8.342 -5.920 1.00 1.00 H new HETATM 0 H23 IMY A 120 -1.811 -8.036 -3.823 1.00 1.00 H new HETATM 0 H21 IMY A 120 -3.985 -4.796 -5.623 1.00 1.00 H new HETATM 0 H20 IMY A 120 -2.568 -4.966 -7.647 1.00 1.00 H new HETATM 0 H18 IMY A 120 2.749 -8.017 -7.367 1.00 1.00 H new HETATM 0 H17 IMY A 120 3.782 -8.173 -5.127 1.00 1.00 H new HETATM 0 H15 IMY A 120 1.880 -4.522 -3.957 1.00 1.00 H new HETATM 0 H14 IMY A 120 0.784 -4.373 -6.177 1.00 1.00 H new