USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 997 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= 0.545 F(o=-6.1!,f=-1.6) USER MOD Set 1.3: A 86 TYR OH : rot 39:sc= -2.15! USER MOD Set 2.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Set 3.1: A 36 GLN : amide:sc= -7.95! C(o=-9.1!,f=-11!) USER MOD Set 3.2: A 91 THR OG1 : rot 180:sc= -1.16! USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 12:sc= 1.08 USER MOD Single : A 2 GLN : amide:sc= 0.56 K(o=0.56,f=-6.1!) USER MOD Single : A 6 LYS NZ :NH3+ -124:sc= -0.0995 (180deg=-0.3) USER MOD Single : A 10 ASN : amide:sc= -0.87! C(o=-0.87!,f=-1.7!) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.0323 F(o=-1,f=-0.032) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0.117 USER MOD Single : A 30 HIS : no HE2:sc= -9.67! C(o=-9.7!,f=-12!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= -0.13 (180deg=-0.13) USER MOD Single : A 44 ASN : amide:sc= -4.65! C(o=-4.7!,f=-8.8!) USER MOD Single : A 45 GLN :FLIP amide:sc= 0.707 F(o=-0.028,f=0.71) USER MOD Single : A 46 ASN : amide:sc= -0.0772 K(o=-0.077,f=-2) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.94! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0261 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -40:sc= 0.877 USER MOD Single : A 74 HIS : no HE2:sc= -6.28! C(o=-6.3!,f=-9.4!) USER MOD Single : A 75 TYR OH : rot 106:sc= -5.54! USER MOD Single : A 76 MET CE :methyl -179:sc= -1.75 (180deg=-1.79) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0296 F(o=-1.4,f=-0.03) USER MOD Single : A 89 LYS NZ :NH3+ -141:sc= -0.293 (180deg=-2.28!) USER MOD Single : A 90 TYR OH : rot 15:sc= -2.19! USER MOD Single : A 93 ASN : amide:sc= 0.0431 K(o=0.043,f=-0.85) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -148:sc= 1.04 (180deg=-0.865) USER MOD Single : A 101 SER OG : rot 165:sc= -1.42! USER MOD Single : A 103 ASN :FLIP amide:sc= -0.521 F(o=-2.3,f=-0.52) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.266 USER MOD Single : A 124 HIS : no HE2:sc= -9.87! C(o=-9.9!,f=-15!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.808 14.690 8.959 1.00 0.00 N ATOM 2 CA SER A 1 -2.471 14.119 9.297 1.00 0.00 C ATOM 3 C SER A 1 -2.591 12.612 9.543 1.00 0.00 C ATOM 4 O SER A 1 -3.252 12.176 10.464 1.00 0.00 O ATOM 5 CB SER A 1 -2.042 14.839 10.574 1.00 0.00 C ATOM 6 OG SER A 1 -2.874 14.423 11.649 1.00 0.00 O ATOM 0 H1 SER A 1 -3.717 15.713 8.794 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.174 14.232 8.100 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.466 14.524 9.747 1.00 0.00 H new ATOM 0 HA SER A 1 -1.747 14.255 8.493 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.999 14.616 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.115 15.918 10.439 1.00 0.00 H new ATOM 0 HG SER A 1 -3.404 13.647 11.371 1.00 0.00 H new ATOM 14 N GLN A 2 -1.957 11.815 8.728 1.00 0.00 N ATOM 15 CA GLN A 2 -2.039 10.338 8.916 1.00 0.00 C ATOM 16 C GLN A 2 -3.483 9.851 8.776 1.00 0.00 C ATOM 17 O GLN A 2 -4.408 10.640 8.797 1.00 0.00 O ATOM 18 CB GLN A 2 -1.546 10.099 10.306 1.00 0.00 C ATOM 19 CG GLN A 2 -0.435 9.131 10.252 1.00 0.00 C ATOM 20 CD GLN A 2 -0.960 7.701 10.440 1.00 0.00 C ATOM 21 OE1 GLN A 2 -1.669 7.192 9.596 1.00 0.00 O ATOM 22 NE2 GLN A 2 -0.643 7.025 11.518 1.00 0.00 N ATOM 0 H GLN A 2 -1.386 12.122 7.940 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.454 9.801 8.169 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.211 11.034 10.755 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.352 9.716 10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.081 9.213 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.295 9.362 11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.048 7.449 12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.992 6.075 11.645 1.00 0.00 H new ATOM 31 N VAL A 3 -3.699 8.567 8.636 1.00 0.00 N ATOM 32 CA VAL A 3 -5.076 8.065 8.502 1.00 0.00 C ATOM 33 C VAL A 3 -5.143 6.708 9.200 1.00 0.00 C ATOM 34 O VAL A 3 -4.172 6.267 9.783 1.00 0.00 O ATOM 35 CB VAL A 3 -5.285 7.902 6.988 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.565 9.012 6.210 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.811 6.519 6.506 1.00 0.00 C ATOM 0 H VAL A 3 -2.971 7.853 8.610 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.831 8.718 8.939 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.355 7.983 6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.729 8.873 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.957 9.983 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.496 8.970 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.972 6.434 5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.750 6.402 6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.376 5.741 7.020 1.00 0.00 H new ATOM 47 N ASP A 4 -6.246 6.018 9.144 1.00 0.00 N ATOM 48 CA ASP A 4 -6.268 4.706 9.802 1.00 0.00 C ATOM 49 C ASP A 4 -5.564 3.728 8.942 1.00 0.00 C ATOM 50 O ASP A 4 -5.620 3.764 7.730 1.00 0.00 O ATOM 51 CB ASP A 4 -7.740 4.363 10.121 1.00 0.00 C ATOM 52 CG ASP A 4 -8.255 3.276 9.168 1.00 0.00 C ATOM 53 OD1 ASP A 4 -8.292 3.532 7.975 1.00 0.00 O ATOM 54 OD2 ASP A 4 -8.603 2.210 9.647 1.00 0.00 O ATOM 0 H ASP A 4 -7.108 6.305 8.681 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.734 4.693 10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.825 4.021 11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.356 5.257 10.030 1.00 0.00 H new ATOM 59 N VAL A 5 -4.719 2.975 9.581 1.00 0.00 N ATOM 60 CA VAL A 5 -3.816 2.147 8.815 1.00 0.00 C ATOM 61 C VAL A 5 -3.081 1.164 9.747 1.00 0.00 C ATOM 62 O VAL A 5 -2.973 1.409 10.932 1.00 0.00 O ATOM 63 CB VAL A 5 -2.965 3.284 8.306 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.599 3.315 9.000 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.794 3.161 6.792 1.00 0.00 C ATOM 0 H VAL A 5 -4.630 2.911 10.595 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.216 1.484 8.048 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.471 4.222 8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.011 4.146 8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.739 3.442 10.073 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.074 2.379 8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.179 3.984 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.310 2.213 6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.772 3.198 6.311 1.00 0.00 H new ATOM 75 N LYS A 6 -2.595 0.057 9.250 1.00 0.00 N ATOM 76 CA LYS A 6 -1.907 -0.911 10.165 1.00 0.00 C ATOM 77 C LYS A 6 -0.782 -1.651 9.514 1.00 0.00 C ATOM 78 O LYS A 6 -0.796 -2.015 8.369 1.00 0.00 O ATOM 79 CB LYS A 6 -2.968 -1.904 10.571 1.00 0.00 C ATOM 80 CG LYS A 6 -4.192 -1.170 11.121 1.00 0.00 C ATOM 81 CD LYS A 6 -4.957 -2.090 12.073 1.00 0.00 C ATOM 82 CE LYS A 6 -4.605 -1.733 13.520 1.00 0.00 C ATOM 83 NZ LYS A 6 -3.561 -2.720 13.921 1.00 0.00 N ATOM 0 H LYS A 6 -2.641 -0.219 8.269 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.466 -0.366 11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.254 -2.513 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.572 -2.583 11.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.882 -0.266 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.840 -0.858 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.030 -1.986 11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.704 -3.131 11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.231 -0.712 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.480 -1.800 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.870 -3.224 14.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.415 -3.403 13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.669 -2.222 14.116 1.00 0.00 H new ATOM 97 N ASP A 7 0.173 -1.894 10.312 1.00 0.00 N ATOM 98 CA ASP A 7 1.367 -2.661 9.888 1.00 0.00 C ATOM 99 C ASP A 7 1.000 -4.147 9.769 1.00 0.00 C ATOM 100 O ASP A 7 0.146 -4.635 10.484 1.00 0.00 O ATOM 101 CB ASP A 7 2.306 -2.417 11.039 1.00 0.00 C ATOM 102 CG ASP A 7 3.459 -3.423 11.001 1.00 0.00 C ATOM 103 OD1 ASP A 7 3.288 -4.511 11.528 1.00 0.00 O ATOM 104 OD2 ASP A 7 4.493 -3.088 10.448 1.00 0.00 O ATOM 0 H ASP A 7 0.193 -1.588 11.285 1.00 0.00 H new ATOM 0 HA ASP A 7 1.785 -2.375 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.698 -1.401 10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.767 -2.505 11.983 1.00 0.00 H new ATOM 109 N CYS A 8 1.630 -4.874 8.887 1.00 0.00 N ATOM 110 CA CYS A 8 1.304 -6.319 8.745 1.00 0.00 C ATOM 111 C CYS A 8 2.594 -7.106 8.596 1.00 0.00 C ATOM 112 O CYS A 8 2.600 -8.242 8.164 1.00 0.00 O ATOM 113 CB CYS A 8 0.457 -6.430 7.481 1.00 0.00 C ATOM 114 SG CYS A 8 1.208 -5.511 6.094 1.00 0.00 S ATOM 0 H CYS A 8 2.356 -4.529 8.259 1.00 0.00 H new ATOM 0 HA CYS A 8 0.770 -6.714 9.609 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.346 -7.479 7.207 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.543 -6.044 7.676 1.00 0.00 H new ATOM 119 N ALA A 9 3.706 -6.485 8.903 1.00 0.00 N ATOM 120 CA ALA A 9 5.007 -7.197 8.719 1.00 0.00 C ATOM 121 C ALA A 9 5.788 -7.186 10.012 1.00 0.00 C ATOM 122 O ALA A 9 5.736 -8.119 10.786 1.00 0.00 O ATOM 123 CB ALA A 9 5.731 -6.428 7.593 1.00 0.00 C ATOM 0 H ALA A 9 3.770 -5.534 9.266 1.00 0.00 H new ATOM 0 HA ALA A 9 4.884 -8.247 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.698 -6.892 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.127 -6.456 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.880 -5.392 7.898 1.00 0.00 H new ATOM 129 N ASN A 10 6.465 -6.147 10.277 1.00 0.00 N ATOM 130 CA ASN A 10 7.205 -6.086 11.568 1.00 0.00 C ATOM 131 C ASN A 10 7.502 -4.651 11.985 1.00 0.00 C ATOM 132 O ASN A 10 8.635 -4.223 12.046 1.00 0.00 O ATOM 133 CB ASN A 10 8.451 -6.941 11.412 1.00 0.00 C ATOM 134 CG ASN A 10 9.522 -6.532 12.444 1.00 0.00 C ATOM 135 OD1 ASN A 10 9.216 -6.416 13.615 1.00 0.00 O ATOM 136 ND2 ASN A 10 10.775 -6.297 12.083 1.00 0.00 N ATOM 0 H ASN A 10 6.553 -5.328 9.675 1.00 0.00 H new ATOM 0 HA ASN A 10 6.598 -6.482 12.383 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.196 -7.993 11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.850 -6.832 10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.465 -6.024 12.783 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.050 -6.389 11.105 1.00 0.00 H new ATOM 143 N HIS A 11 6.462 -3.916 12.289 1.00 0.00 N ATOM 144 CA HIS A 11 6.622 -2.498 12.723 1.00 0.00 C ATOM 145 C HIS A 11 7.805 -1.857 12.018 1.00 0.00 C ATOM 146 O HIS A 11 8.493 -1.014 12.558 1.00 0.00 O ATOM 147 CB HIS A 11 6.847 -2.559 14.213 1.00 0.00 C ATOM 148 CG HIS A 11 5.600 -3.054 14.894 1.00 0.00 C ATOM 149 ND1 HIS A 11 4.369 -3.416 14.405 1.00 0.00 N flip ATOM 150 CD2 HIS A 11 5.526 -3.224 16.268 1.00 0.00 C flip ATOM 151 CE1 HIS A 11 3.542 -3.805 15.455 1.00 0.00 C flip ATOM 152 NE2 HIS A 11 4.289 -3.671 16.555 1.00 0.00 N flip ATOM 0 H HIS A 11 5.497 -4.244 12.254 1.00 0.00 H new ATOM 0 HA HIS A 11 5.750 -1.893 12.475 1.00 0.00 H new ATOM 0 HB2 HIS A 11 7.683 -3.221 14.437 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.112 -1.572 14.591 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.317 -3.033 16.978 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.518 -4.142 15.394 1.00 0.00 H new ATOM 0 HE2 HIS A 11 3.962 -3.882 17.498 1.00 0.00 H new ATOM 160 N GLU A 12 8.042 -2.259 10.811 1.00 0.00 N ATOM 161 CA GLU A 12 9.183 -1.680 10.054 1.00 0.00 C ATOM 162 C GLU A 12 8.720 -0.502 9.197 1.00 0.00 C ATOM 163 O GLU A 12 9.348 -0.135 8.222 1.00 0.00 O ATOM 164 CB GLU A 12 9.735 -2.791 9.227 1.00 0.00 C ATOM 165 CG GLU A 12 10.795 -3.560 10.014 1.00 0.00 C ATOM 166 CD GLU A 12 11.418 -4.631 9.117 1.00 0.00 C ATOM 167 OE1 GLU A 12 11.233 -4.549 7.913 1.00 0.00 O ATOM 168 OE2 GLU A 12 12.068 -5.516 9.648 1.00 0.00 O ATOM 0 H GLU A 12 7.498 -2.963 10.312 1.00 0.00 H new ATOM 0 HA GLU A 12 9.950 -1.281 10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.932 -3.466 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.171 -2.391 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.565 -2.877 10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.346 -4.023 10.893 1.00 0.00 H new ATOM 175 N ILE A 13 7.601 0.077 9.550 1.00 0.00 N ATOM 176 CA ILE A 13 7.042 1.210 8.775 1.00 0.00 C ATOM 177 C ILE A 13 6.826 2.412 9.688 1.00 0.00 C ATOM 178 O ILE A 13 7.293 2.459 10.809 1.00 0.00 O ATOM 179 CB ILE A 13 5.738 0.586 8.252 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.804 0.472 6.729 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.481 1.388 8.661 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.506 -0.142 6.205 1.00 0.00 C ATOM 0 H ILE A 13 7.045 -0.198 10.360 1.00 0.00 H new ATOM 0 HA ILE A 13 7.670 1.601 7.974 1.00 0.00 H new ATOM 0 HB ILE A 13 5.647 -0.401 8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.957 1.456 6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.654 -0.145 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.592 0.899 8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.415 1.432 9.748 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.549 2.400 8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.554 -0.223 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.372 -1.134 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.665 0.492 6.485 1.00 0.00 H new ATOM 194 N LYS A 14 6.115 3.375 9.207 1.00 0.00 N ATOM 195 CA LYS A 14 5.845 4.587 10.023 1.00 0.00 C ATOM 196 C LYS A 14 4.657 5.386 9.468 1.00 0.00 C ATOM 197 O LYS A 14 3.806 5.796 10.231 1.00 0.00 O ATOM 198 CB LYS A 14 7.134 5.412 10.040 1.00 0.00 C ATOM 199 CG LYS A 14 7.568 5.779 8.624 1.00 0.00 C ATOM 200 CD LYS A 14 8.624 6.884 8.695 1.00 0.00 C ATOM 201 CE LYS A 14 10.011 6.255 8.849 1.00 0.00 C ATOM 202 NZ LYS A 14 10.905 7.381 9.238 1.00 0.00 N ATOM 0 H LYS A 14 5.702 3.381 8.274 1.00 0.00 H new ATOM 0 HA LYS A 14 5.562 4.312 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.981 6.320 10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.925 4.846 10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.973 4.904 8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.710 6.116 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.588 7.495 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.418 7.546 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.008 5.473 9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.340 5.793 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.875 7.027 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.894 8.107 8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.571 7.797 10.131 1.00 0.00 H new ATOM 216 N LYS A 15 4.534 5.628 8.167 1.00 0.00 N ATOM 217 CA LYS A 15 3.320 6.410 7.758 1.00 0.00 C ATOM 218 C LYS A 15 2.792 6.061 6.391 1.00 0.00 C ATOM 219 O LYS A 15 3.513 5.808 5.459 1.00 0.00 O ATOM 220 CB LYS A 15 3.693 7.886 7.848 1.00 0.00 C ATOM 221 CG LYS A 15 2.468 8.709 7.487 1.00 0.00 C ATOM 222 CD LYS A 15 2.483 9.997 8.306 1.00 0.00 C ATOM 223 CE LYS A 15 1.543 11.024 7.669 1.00 0.00 C ATOM 224 NZ LYS A 15 1.725 12.265 8.475 1.00 0.00 N ATOM 0 H LYS A 15 5.174 5.340 7.427 1.00 0.00 H new ATOM 0 HA LYS A 15 2.500 6.159 8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.033 8.131 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.516 8.112 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.468 8.939 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.559 8.143 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.172 9.792 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.496 10.397 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.794 11.193 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.508 10.683 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.112 13.016 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.472 12.076 9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.718 12.570 8.424 1.00 0.00 H new ATOM 238 N VAL A 16 1.510 6.063 6.281 1.00 0.00 N ATOM 239 CA VAL A 16 0.879 5.753 4.957 1.00 0.00 C ATOM 240 C VAL A 16 -0.225 6.746 4.647 1.00 0.00 C ATOM 241 O VAL A 16 -1.328 6.688 5.153 1.00 0.00 O ATOM 242 CB VAL A 16 0.333 4.315 5.006 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.812 3.561 3.764 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.830 3.586 6.259 1.00 0.00 C ATOM 0 H VAL A 16 0.858 6.263 7.040 1.00 0.00 H new ATOM 0 HA VAL A 16 1.620 5.835 4.161 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.756 4.352 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.431 2.540 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.445 4.064 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.902 3.541 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.431 2.572 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.919 3.548 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.493 4.120 7.148 1.00 0.00 H new ATOM 254 N LEU A 17 0.106 7.645 3.789 1.00 0.00 N ATOM 255 CA LEU A 17 -0.859 8.701 3.346 1.00 0.00 C ATOM 256 C LEU A 17 -1.545 8.317 2.052 1.00 0.00 C ATOM 257 O LEU A 17 -0.938 7.888 1.092 1.00 0.00 O ATOM 258 CB LEU A 17 -0.057 9.969 3.183 1.00 0.00 C ATOM 259 CG LEU A 17 -0.538 11.011 4.173 1.00 0.00 C ATOM 260 CD1 LEU A 17 0.119 12.356 3.866 1.00 0.00 C ATOM 261 CD2 LEU A 17 -2.058 11.143 4.094 1.00 0.00 C ATOM 0 H LEU A 17 1.027 7.707 3.355 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.654 8.831 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.002 9.764 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.159 10.346 2.165 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.263 10.700 5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.229 13.102 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.202 12.258 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.146 12.668 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.396 11.894 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.345 11.446 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.519 10.184 4.330 1.00 0.00 H new ATOM 273 N VAL A 18 -2.828 8.486 2.050 1.00 0.00 N ATOM 274 CA VAL A 18 -3.641 8.153 0.835 1.00 0.00 C ATOM 275 C VAL A 18 -4.739 9.210 0.647 1.00 0.00 C ATOM 276 O VAL A 18 -5.256 9.742 1.609 1.00 0.00 O ATOM 277 CB VAL A 18 -4.273 6.784 1.109 1.00 0.00 C ATOM 278 CG1 VAL A 18 -5.153 6.377 -0.076 1.00 0.00 C ATOM 279 CG2 VAL A 18 -3.190 5.719 1.298 1.00 0.00 C ATOM 0 H VAL A 18 -3.364 8.844 2.841 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.031 8.135 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.870 6.859 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.601 5.403 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.941 7.117 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.544 6.320 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.658 4.754 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.583 5.653 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.556 5.990 2.142 1.00 0.00 H new ATOM 289 N PRO A 19 -5.045 9.494 -0.596 1.00 0.00 N ATOM 290 CA PRO A 19 -6.077 10.514 -0.911 1.00 0.00 C ATOM 291 C PRO A 19 -7.482 9.985 -0.587 1.00 0.00 C ATOM 292 O PRO A 19 -8.051 9.220 -1.338 1.00 0.00 O ATOM 293 CB PRO A 19 -5.907 10.740 -2.416 1.00 0.00 C ATOM 294 CG PRO A 19 -5.296 9.496 -2.934 1.00 0.00 C ATOM 295 CD PRO A 19 -4.473 8.897 -1.810 1.00 0.00 C ATOM 0 HA PRO A 19 -5.964 11.430 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.867 10.935 -2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.271 11.602 -2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.066 8.797 -3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.668 9.707 -3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.549 7.810 -1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.416 9.141 -1.915 1.00 0.00 H new ATOM 303 N GLY A 20 -8.045 10.382 0.526 1.00 0.00 N ATOM 304 CA GLY A 20 -9.407 9.894 0.884 1.00 0.00 C ATOM 305 C GLY A 20 -9.609 10.023 2.391 1.00 0.00 C ATOM 306 O GLY A 20 -10.033 11.049 2.886 1.00 0.00 O ATOM 0 H GLY A 20 -7.621 11.021 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.164 10.472 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.526 8.855 0.577 1.00 0.00 H new ATOM 310 N CYS A 21 -9.308 8.989 3.127 1.00 0.00 N ATOM 311 CA CYS A 21 -9.488 9.065 4.614 1.00 0.00 C ATOM 312 C CYS A 21 -8.276 9.718 5.286 1.00 0.00 C ATOM 313 O CYS A 21 -7.203 9.778 4.717 1.00 0.00 O ATOM 314 CB CYS A 21 -9.649 7.643 5.115 1.00 0.00 C ATOM 315 SG CYS A 21 -11.344 7.067 4.789 1.00 0.00 S ATOM 0 H CYS A 21 -8.949 8.102 2.773 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.360 9.674 4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.931 6.989 4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.438 7.597 6.183 1.00 0.00 H new ATOM 320 N HIS A 22 -8.419 10.181 6.508 1.00 0.00 N ATOM 321 CA HIS A 22 -7.250 10.786 7.204 1.00 0.00 C ATOM 322 C HIS A 22 -7.290 10.405 8.666 1.00 0.00 C ATOM 323 O HIS A 22 -6.611 10.972 9.498 1.00 0.00 O ATOM 324 CB HIS A 22 -7.339 12.311 7.000 1.00 0.00 C ATOM 325 CG HIS A 22 -8.699 12.797 7.422 1.00 0.00 C ATOM 326 ND1 HIS A 22 -9.425 13.708 6.672 1.00 0.00 N ATOM 327 CD2 HIS A 22 -9.474 12.513 8.520 1.00 0.00 C ATOM 328 CE1 HIS A 22 -10.580 13.940 7.322 1.00 0.00 C ATOM 329 NE2 HIS A 22 -10.661 13.236 8.454 1.00 0.00 N ATOM 0 H HIS A 22 -9.287 10.164 7.043 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.303 10.425 6.803 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.566 12.812 7.582 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.161 12.559 5.954 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -9.136 14.127 5.788 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.203 11.832 9.314 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.348 14.613 6.971 1.00 0.00 H new ATOM 337 N GLY A 23 -8.058 9.409 8.972 1.00 0.00 N ATOM 338 CA GLY A 23 -8.119 8.934 10.380 1.00 0.00 C ATOM 339 C GLY A 23 -9.211 7.873 10.515 1.00 0.00 C ATOM 340 O GLY A 23 -9.535 7.194 9.560 1.00 0.00 O ATOM 0 H GLY A 23 -8.647 8.900 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.156 8.519 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.325 9.770 11.048 1.00 0.00 H new ATOM 344 N SER A 24 -9.799 7.714 11.677 1.00 0.00 N ATOM 345 CA SER A 24 -10.870 6.683 11.808 1.00 0.00 C ATOM 346 C SER A 24 -12.079 7.080 10.957 1.00 0.00 C ATOM 347 O SER A 24 -13.012 6.323 10.781 1.00 0.00 O ATOM 348 CB SER A 24 -11.246 6.696 13.271 1.00 0.00 C ATOM 349 OG SER A 24 -10.118 7.074 14.048 1.00 0.00 O ATOM 0 H SER A 24 -9.588 8.243 12.523 1.00 0.00 H new ATOM 0 HA SER A 24 -10.541 5.699 11.475 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.067 7.393 13.440 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.597 5.710 13.576 1.00 0.00 H new ATOM 0 HG SER A 24 -10.363 7.084 14.997 1.00 0.00 H new ATOM 355 N GLU A 25 -12.057 8.270 10.434 1.00 0.00 N ATOM 356 CA GLU A 25 -13.147 8.772 9.607 1.00 0.00 C ATOM 357 C GLU A 25 -13.365 8.034 8.321 1.00 0.00 C ATOM 358 O GLU A 25 -12.722 7.072 7.952 1.00 0.00 O ATOM 359 CB GLU A 25 -12.727 10.175 9.292 1.00 0.00 C ATOM 360 CG GLU A 25 -13.315 11.089 10.337 1.00 0.00 C ATOM 361 CD GLU A 25 -12.208 11.872 11.045 1.00 0.00 C ATOM 362 OE1 GLU A 25 -11.209 11.264 11.393 1.00 0.00 O ATOM 363 OE2 GLU A 25 -12.379 13.065 11.229 1.00 0.00 O ATOM 0 H GLU A 25 -11.290 8.930 10.560 1.00 0.00 H new ATOM 0 HA GLU A 25 -14.090 8.665 10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.640 10.254 9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.073 10.461 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.017 11.780 9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.878 10.505 11.065 1.00 0.00 H new ATOM 370 N PRO A 26 -14.379 8.559 7.768 1.00 0.00 N ATOM 371 CA PRO A 26 -15.038 8.148 6.540 1.00 0.00 C ATOM 372 C PRO A 26 -14.733 9.118 5.417 1.00 0.00 C ATOM 373 O PRO A 26 -14.919 10.314 5.516 1.00 0.00 O ATOM 374 CB PRO A 26 -16.494 8.209 7.058 1.00 0.00 C ATOM 375 CG PRO A 26 -16.418 9.120 8.289 1.00 0.00 C ATOM 376 CD PRO A 26 -15.093 9.695 8.285 1.00 0.00 C ATOM 0 HA PRO A 26 -14.753 7.191 6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.168 8.614 6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.866 7.218 7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.180 9.898 8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.594 8.554 9.204 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.013 10.574 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.756 9.992 9.278 1.00 0.00 H new ATOM 384 N CYS A 27 -14.239 8.574 4.354 1.00 0.00 N ATOM 385 CA CYS A 27 -13.868 9.432 3.175 1.00 0.00 C ATOM 386 C CYS A 27 -14.554 8.990 1.889 1.00 0.00 C ATOM 387 O CYS A 27 -14.377 7.898 1.385 1.00 0.00 O ATOM 388 CB CYS A 27 -12.341 9.367 3.036 1.00 0.00 C ATOM 389 SG CYS A 27 -11.778 7.645 2.896 1.00 0.00 S ATOM 0 H CYS A 27 -14.070 7.575 4.235 1.00 0.00 H new ATOM 0 HA CYS A 27 -14.205 10.454 3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -12.027 9.929 2.157 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.872 9.838 3.900 1.00 0.00 H new ATOM 394 N ILE A 28 -15.320 9.896 1.364 1.00 0.00 N ATOM 395 CA ILE A 28 -16.058 9.701 0.105 1.00 0.00 C ATOM 396 C ILE A 28 -15.106 9.920 -1.074 1.00 0.00 C ATOM 397 O ILE A 28 -15.139 10.939 -1.735 1.00 0.00 O ATOM 398 CB ILE A 28 -17.071 10.810 0.186 1.00 0.00 C ATOM 399 CG1 ILE A 28 -17.943 10.590 1.344 1.00 0.00 C ATOM 400 CG2 ILE A 28 -17.887 10.883 -1.072 1.00 0.00 C ATOM 401 CD1 ILE A 28 -18.827 9.351 1.132 1.00 0.00 C ATOM 0 H ILE A 28 -15.468 10.813 1.786 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.497 8.712 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.546 11.758 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.338 10.462 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.570 11.467 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -18.612 11.692 -0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -17.230 11.070 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -18.412 9.939 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -19.466 9.206 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -19.447 9.494 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -18.196 8.473 0.995 1.00 0.00 H new ATOM 413 N ILE A 29 -14.243 8.982 -1.315 1.00 0.00 N ATOM 414 CA ILE A 29 -13.251 9.128 -2.425 1.00 0.00 C ATOM 415 C ILE A 29 -13.910 9.698 -3.664 1.00 0.00 C ATOM 416 O ILE A 29 -14.865 9.173 -4.202 1.00 0.00 O ATOM 417 CB ILE A 29 -12.703 7.733 -2.702 1.00 0.00 C ATOM 418 CG1 ILE A 29 -11.636 7.849 -3.748 1.00 0.00 C ATOM 419 CG2 ILE A 29 -13.816 6.803 -3.197 1.00 0.00 C ATOM 420 CD1 ILE A 29 -10.969 6.497 -3.924 1.00 0.00 C ATOM 0 H ILE A 29 -14.176 8.110 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.453 9.816 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.294 7.311 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.068 8.181 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.900 8.597 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.404 5.812 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -14.595 6.731 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.242 7.203 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.191 6.571 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.525 6.185 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.712 5.763 -4.236 1.00 0.00 H new ATOM 432 N HIS A 30 -13.387 10.806 -4.091 1.00 0.00 N ATOM 433 CA HIS A 30 -13.921 11.523 -5.278 1.00 0.00 C ATOM 434 C HIS A 30 -13.692 10.757 -6.607 1.00 0.00 C ATOM 435 O HIS A 30 -13.653 11.352 -7.665 1.00 0.00 O ATOM 436 CB HIS A 30 -13.150 12.847 -5.270 1.00 0.00 C ATOM 437 CG HIS A 30 -11.758 12.629 -5.791 1.00 0.00 C ATOM 438 ND1 HIS A 30 -10.738 12.146 -4.988 1.00 0.00 N ATOM 439 CD2 HIS A 30 -11.199 12.830 -7.028 1.00 0.00 C ATOM 440 CE1 HIS A 30 -9.627 12.073 -5.743 1.00 0.00 C ATOM 441 NE2 HIS A 30 -9.853 12.479 -6.996 1.00 0.00 N ATOM 0 H HIS A 30 -12.585 11.260 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.003 11.643 -5.221 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.667 13.583 -5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.110 13.249 -4.258 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -10.815 11.892 -4.003 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.724 13.204 -7.895 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.670 11.728 -5.381 1.00 0.00 H new ATOM 449 N ARG A 31 -13.579 9.452 -6.570 1.00 0.00 N ATOM 450 CA ARG A 31 -13.399 8.661 -7.825 1.00 0.00 C ATOM 451 C ARG A 31 -13.918 7.253 -7.578 1.00 0.00 C ATOM 452 O ARG A 31 -14.151 6.876 -6.446 1.00 0.00 O ATOM 453 CB ARG A 31 -11.918 8.643 -8.128 1.00 0.00 C ATOM 454 CG ARG A 31 -11.527 9.982 -8.716 1.00 0.00 C ATOM 455 CD ARG A 31 -10.055 9.907 -9.114 1.00 0.00 C ATOM 456 NE ARG A 31 -9.854 10.990 -10.118 1.00 0.00 N ATOM 457 CZ ARG A 31 -10.184 12.218 -9.831 1.00 0.00 C ATOM 458 NH1 ARG A 31 -11.417 12.613 -9.982 1.00 0.00 N ATOM 459 NH2 ARG A 31 -9.280 13.052 -9.391 1.00 0.00 N ATOM 0 H ARG A 31 -13.604 8.897 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.943 9.090 -8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.349 8.449 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.685 7.840 -8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.146 10.213 -9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.686 10.779 -7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.408 10.050 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.813 8.932 -9.536 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.457 10.770 -11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.123 11.961 -10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.676 13.574 -9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.315 12.742 -9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.539 14.013 -9.167 1.00 0.00 H new ATOM 473 N GLY A 32 -14.112 6.455 -8.588 1.00 0.00 N ATOM 474 CA GLY A 32 -14.612 5.109 -8.316 1.00 0.00 C ATOM 475 C GLY A 32 -13.499 4.318 -7.639 1.00 0.00 C ATOM 476 O GLY A 32 -13.376 4.380 -6.432 1.00 0.00 O ATOM 0 H GLY A 32 -13.946 6.682 -9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.492 5.152 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.916 4.622 -9.242 1.00 0.00 H new ATOM 480 N LYS A 33 -12.678 3.552 -8.346 1.00 0.00 N ATOM 481 CA LYS A 33 -11.667 2.828 -7.603 1.00 0.00 C ATOM 482 C LYS A 33 -10.234 3.043 -8.062 1.00 0.00 C ATOM 483 O LYS A 33 -9.693 2.315 -8.882 1.00 0.00 O ATOM 484 CB LYS A 33 -12.094 1.413 -7.670 1.00 0.00 C ATOM 485 CG LYS A 33 -13.490 1.371 -7.101 1.00 0.00 C ATOM 486 CD LYS A 33 -13.479 1.817 -5.644 1.00 0.00 C ATOM 487 CE LYS A 33 -13.341 0.599 -4.731 1.00 0.00 C ATOM 488 NZ LYS A 33 -14.513 0.672 -3.815 1.00 0.00 N ATOM 0 H LYS A 33 -12.688 3.422 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.615 3.203 -6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.081 1.050 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.420 0.775 -7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.147 2.018 -7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.891 0.360 -7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.653 2.508 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.398 2.355 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.345 -0.328 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.403 0.626 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.489 -0.132 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.478 1.561 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.391 0.638 -4.371 1.00 0.00 H new ATOM 502 N PRO A 34 -9.665 4.043 -7.477 1.00 0.00 N ATOM 503 CA PRO A 34 -8.258 4.441 -7.680 1.00 0.00 C ATOM 504 C PRO A 34 -7.491 4.084 -6.421 1.00 0.00 C ATOM 505 O PRO A 34 -7.995 4.213 -5.324 1.00 0.00 O ATOM 506 CB PRO A 34 -8.402 5.949 -7.806 1.00 0.00 C ATOM 507 CG PRO A 34 -9.654 6.286 -7.009 1.00 0.00 C ATOM 508 CD PRO A 34 -10.307 4.974 -6.590 1.00 0.00 C ATOM 0 HA PRO A 34 -7.742 3.978 -8.521 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.528 6.465 -7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.503 6.251 -8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.400 6.883 -6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.342 6.880 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.121 4.739 -5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.388 4.992 -6.725 1.00 0.00 H new ATOM 516 N PHE A 35 -6.285 3.635 -6.556 1.00 0.00 N ATOM 517 CA PHE A 35 -5.521 3.275 -5.335 1.00 0.00 C ATOM 518 C PHE A 35 -4.203 4.043 -5.299 1.00 0.00 C ATOM 519 O PHE A 35 -3.212 3.637 -5.884 1.00 0.00 O ATOM 520 CB PHE A 35 -5.315 1.772 -5.410 1.00 0.00 C ATOM 521 CG PHE A 35 -6.655 1.110 -5.728 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.827 1.563 -5.094 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.740 0.054 -6.656 1.00 0.00 C ATOM 524 CE1 PHE A 35 -9.061 0.970 -5.382 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.979 -0.536 -6.939 1.00 0.00 C ATOM 526 CZ PHE A 35 -9.137 -0.079 -6.302 1.00 0.00 C ATOM 0 H PHE A 35 -5.797 3.502 -7.442 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.046 3.539 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.581 1.529 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.923 1.397 -4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.773 2.373 -4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.848 -0.302 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.956 1.324 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.040 -1.346 -7.651 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.090 -0.537 -6.521 1.00 0.00 H new ATOM 536 N GLN A 36 -4.206 5.166 -4.639 1.00 0.00 N ATOM 537 CA GLN A 36 -2.966 6.010 -4.539 1.00 0.00 C ATOM 538 C GLN A 36 -2.465 6.023 -3.079 1.00 0.00 C ATOM 539 O GLN A 36 -2.786 6.915 -2.323 1.00 0.00 O ATOM 540 CB GLN A 36 -3.385 7.414 -4.965 1.00 0.00 C ATOM 541 CG GLN A 36 -3.650 7.418 -6.413 1.00 0.00 C ATOM 542 CD GLN A 36 -4.949 6.646 -6.738 1.00 0.00 C ATOM 543 OE1 GLN A 36 -5.939 6.818 -6.055 1.00 0.00 O ATOM 544 NE2 GLN A 36 -5.006 5.794 -7.750 1.00 0.00 N ATOM 0 H GLN A 36 -5.020 5.546 -4.156 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.159 5.628 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.276 7.723 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.599 8.130 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.734 8.445 -6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.811 6.965 -6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.183 5.639 -8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.872 5.293 -7.947 1.00 0.00 H new ATOM 553 N LEU A 37 -1.669 5.056 -2.674 1.00 0.00 N ATOM 554 CA LEU A 37 -1.156 5.045 -1.283 1.00 0.00 C ATOM 555 C LEU A 37 0.353 5.341 -1.301 1.00 0.00 C ATOM 556 O LEU A 37 1.070 4.882 -2.166 1.00 0.00 O ATOM 557 CB LEU A 37 -1.423 3.614 -0.721 1.00 0.00 C ATOM 558 CG LEU A 37 -1.511 2.561 -1.825 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.197 1.177 -1.240 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.926 2.533 -2.410 1.00 0.00 C ATOM 0 H LEU A 37 -1.358 4.278 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.643 5.798 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.626 3.344 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.352 3.618 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.794 2.811 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.260 0.426 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.191 1.179 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.917 0.942 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.980 1.780 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.640 2.288 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.167 3.511 -2.827 1.00 0.00 H new ATOM 572 N GLU A 38 0.841 6.098 -0.353 1.00 0.00 N ATOM 573 CA GLU A 38 2.295 6.414 -0.309 1.00 0.00 C ATOM 574 C GLU A 38 2.705 6.359 1.120 1.00 0.00 C ATOM 575 O GLU A 38 2.034 6.834 2.005 1.00 0.00 O ATOM 576 CB GLU A 38 2.428 7.826 -0.906 1.00 0.00 C ATOM 577 CG GLU A 38 1.976 8.867 0.123 1.00 0.00 C ATOM 578 CD GLU A 38 3.171 9.287 0.978 1.00 0.00 C ATOM 579 OE1 GLU A 38 4.177 9.673 0.406 1.00 0.00 O ATOM 580 OE2 GLU A 38 3.061 9.215 2.191 1.00 0.00 O ATOM 0 H GLU A 38 0.288 6.513 0.397 1.00 0.00 H new ATOM 0 HA GLU A 38 2.928 5.725 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.462 8.013 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.824 7.908 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.554 9.735 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.190 8.453 0.755 1.00 0.00 H new ATOM 587 N ALA A 39 3.764 5.695 1.350 1.00 0.00 N ATOM 588 CA ALA A 39 4.192 5.498 2.770 1.00 0.00 C ATOM 589 C ALA A 39 5.698 5.563 2.961 1.00 0.00 C ATOM 590 O ALA A 39 6.491 5.285 2.087 1.00 0.00 O ATOM 591 CB ALA A 39 3.692 4.090 3.111 1.00 0.00 C ATOM 0 H ALA A 39 4.365 5.273 0.642 1.00 0.00 H new ATOM 0 HA ALA A 39 3.791 6.287 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.958 3.849 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.609 4.051 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.153 3.367 2.438 1.00 0.00 H new ATOM 597 N VAL A 40 6.050 5.917 4.153 1.00 0.00 N ATOM 598 CA VAL A 40 7.465 6.020 4.573 1.00 0.00 C ATOM 599 C VAL A 40 7.768 4.895 5.568 1.00 0.00 C ATOM 600 O VAL A 40 6.943 4.537 6.406 1.00 0.00 O ATOM 601 CB VAL A 40 7.657 7.390 5.195 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.135 8.372 4.123 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.347 7.881 5.778 1.00 0.00 C ATOM 0 H VAL A 40 5.383 6.150 4.889 1.00 0.00 H new ATOM 0 HA VAL A 40 8.150 5.912 3.732 1.00 0.00 H new ATOM 0 HB VAL A 40 8.400 7.322 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.274 9.357 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.081 8.025 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.391 8.434 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.493 8.865 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.599 7.947 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.005 7.184 6.543 1.00 0.00 H new ATOM 613 N PHE A 41 8.960 4.335 5.436 1.00 0.00 N ATOM 614 CA PHE A 41 9.428 3.214 6.274 1.00 0.00 C ATOM 615 C PHE A 41 10.962 3.211 6.229 1.00 0.00 C ATOM 616 O PHE A 41 11.560 3.166 5.167 1.00 0.00 O ATOM 617 CB PHE A 41 8.916 1.925 5.597 1.00 0.00 C ATOM 618 CG PHE A 41 8.987 2.052 4.084 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.203 1.842 3.407 1.00 0.00 C ATOM 620 CD2 PHE A 41 7.830 2.352 3.353 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.258 1.940 2.010 1.00 0.00 C ATOM 622 CE2 PHE A 41 7.886 2.442 1.957 1.00 0.00 C ATOM 623 CZ PHE A 41 9.100 2.239 1.287 1.00 0.00 C ATOM 0 H PHE A 41 9.644 4.639 4.743 1.00 0.00 H new ATOM 0 HA PHE A 41 9.079 3.291 7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.513 1.074 5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.888 1.730 5.903 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.096 1.605 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.894 2.514 3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.194 1.785 1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.992 2.668 1.395 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.141 2.314 0.210 1.00 0.00 H new ATOM 633 N GLU A 42 11.611 3.262 7.337 1.00 0.00 N ATOM 634 CA GLU A 42 13.104 3.217 7.313 1.00 0.00 C ATOM 635 C GLU A 42 13.538 1.834 6.884 1.00 0.00 C ATOM 636 O GLU A 42 12.857 0.845 7.063 1.00 0.00 O ATOM 637 CB GLU A 42 13.597 3.458 8.720 1.00 0.00 C ATOM 638 CG GLU A 42 15.031 3.980 8.626 1.00 0.00 C ATOM 639 CD GLU A 42 15.525 4.389 10.015 1.00 0.00 C ATOM 640 OE1 GLU A 42 15.793 3.505 10.811 1.00 0.00 O ATOM 641 OE2 GLU A 42 15.631 5.580 10.258 1.00 0.00 O ATOM 0 H GLU A 42 11.188 3.333 8.263 1.00 0.00 H new ATOM 0 HA GLU A 42 13.502 3.965 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.960 4.180 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.563 2.536 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.682 3.210 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.074 4.833 7.949 1.00 0.00 H new ATOM 648 N ALA A 43 14.684 1.792 6.349 1.00 0.00 N ATOM 649 CA ALA A 43 15.286 0.501 5.892 1.00 0.00 C ATOM 650 C ALA A 43 15.984 -0.142 7.065 1.00 0.00 C ATOM 651 O ALA A 43 16.750 0.490 7.765 1.00 0.00 O ATOM 652 CB ALA A 43 16.299 0.887 4.807 1.00 0.00 C ATOM 0 H ALA A 43 15.271 2.611 6.192 1.00 0.00 H new ATOM 0 HA ALA A 43 14.548 -0.204 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.782 -0.012 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.784 1.397 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.052 1.550 5.232 1.00 0.00 H new ATOM 658 N ASN A 44 15.735 -1.396 7.293 1.00 0.00 N ATOM 659 CA ASN A 44 16.401 -2.041 8.419 1.00 0.00 C ATOM 660 C ASN A 44 17.366 -3.101 8.034 1.00 0.00 C ATOM 661 O ASN A 44 17.477 -4.188 8.566 1.00 0.00 O ATOM 662 CB ASN A 44 15.379 -2.424 9.483 1.00 0.00 C ATOM 663 CG ASN A 44 14.059 -2.901 8.832 1.00 0.00 C ATOM 664 OD1 ASN A 44 13.033 -2.301 9.069 1.00 0.00 O ATOM 665 ND2 ASN A 44 14.013 -3.928 8.008 1.00 0.00 N ATOM 0 H ASN A 44 15.105 -1.986 6.749 1.00 0.00 H new ATOM 0 HA ASN A 44 17.065 -1.312 8.883 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.784 -3.214 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.182 -1.569 10.129 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.127 -4.203 7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.864 -4.448 7.793 1.00 0.00 H new ATOM 672 N GLN A 45 18.120 -2.647 7.133 1.00 0.00 N ATOM 673 CA GLN A 45 19.252 -3.348 6.571 1.00 0.00 C ATOM 674 C GLN A 45 19.767 -2.709 5.305 1.00 0.00 C ATOM 675 O GLN A 45 19.548 -1.540 5.020 1.00 0.00 O ATOM 676 CB GLN A 45 18.756 -4.700 6.223 1.00 0.00 C ATOM 677 CG GLN A 45 17.386 -4.556 5.585 1.00 0.00 C ATOM 678 CD GLN A 45 16.545 -5.824 5.837 1.00 0.00 C ATOM 679 OE1 GLN A 45 16.006 -6.484 4.835 1.00 0.00 O flip ATOM 680 NE2 GLN A 45 16.373 -6.224 6.972 1.00 0.00 N flip ATOM 0 H GLN A 45 17.982 -1.724 6.722 1.00 0.00 H new ATOM 0 HA GLN A 45 20.069 -3.344 7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 45 19.445 -5.192 5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 45 18.696 -5.324 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 45 16.875 -3.685 5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 45 17.492 -4.388 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.786 -5.721 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.816 -7.062 7.138 1.00 0.00 H new ATOM 689 N ASN A 46 20.505 -3.458 4.570 1.00 0.00 N ATOM 690 CA ASN A 46 21.096 -2.969 3.320 1.00 0.00 C ATOM 691 C ASN A 46 20.438 -3.657 2.171 1.00 0.00 C ATOM 692 O ASN A 46 19.942 -4.762 2.268 1.00 0.00 O ATOM 693 CB ASN A 46 22.492 -3.409 3.435 1.00 0.00 C ATOM 694 CG ASN A 46 23.344 -2.760 2.346 1.00 0.00 C ATOM 695 OD1 ASN A 46 23.284 -1.563 2.145 1.00 0.00 O ATOM 696 ND2 ASN A 46 24.139 -3.503 1.627 1.00 0.00 N ATOM 0 H ASN A 46 20.732 -4.427 4.792 1.00 0.00 H new ATOM 0 HA ASN A 46 20.991 -1.896 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 46 22.884 -3.146 4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.546 -4.494 3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 46 24.710 -3.079 0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 46 24.189 -4.508 1.796 1.00 0.00 H new ATOM 703 N THR A 47 20.406 -2.995 1.105 1.00 0.00 N ATOM 704 CA THR A 47 19.730 -3.596 -0.094 1.00 0.00 C ATOM 705 C THR A 47 19.913 -2.755 -1.350 1.00 0.00 C ATOM 706 O THR A 47 20.046 -1.561 -1.266 1.00 0.00 O ATOM 707 CB THR A 47 18.253 -3.607 0.328 1.00 0.00 C ATOM 708 OG1 THR A 47 17.419 -3.634 -0.820 1.00 0.00 O ATOM 709 CG2 THR A 47 17.906 -2.356 1.149 1.00 0.00 C ATOM 0 H THR A 47 20.805 -2.066 0.972 1.00 0.00 H new ATOM 0 HA THR A 47 20.135 -4.575 -0.351 1.00 0.00 H new ATOM 0 HB THR A 47 18.089 -4.496 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.479 -3.642 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.855 -2.389 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.525 -2.326 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.091 -1.465 0.550 1.00 0.00 H new ATOM 717 N LYS A 48 19.900 -3.344 -2.521 1.00 0.00 N ATOM 718 CA LYS A 48 20.046 -2.484 -3.754 1.00 0.00 C ATOM 719 C LYS A 48 18.725 -2.469 -4.557 1.00 0.00 C ATOM 720 O LYS A 48 18.690 -1.979 -5.667 1.00 0.00 O ATOM 721 CB LYS A 48 21.191 -3.066 -4.586 1.00 0.00 C ATOM 722 CG LYS A 48 20.649 -4.167 -5.435 1.00 0.00 C ATOM 723 CD LYS A 48 21.719 -5.235 -5.673 1.00 0.00 C ATOM 724 CE LYS A 48 22.536 -4.866 -6.913 1.00 0.00 C ATOM 725 NZ LYS A 48 23.881 -5.464 -6.681 1.00 0.00 N ATOM 0 H LYS A 48 19.799 -4.346 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 48 20.269 -1.452 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.637 -2.292 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.979 -3.443 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.781 -4.615 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.309 -3.765 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.372 -5.312 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.252 -6.210 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.079 -5.263 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.601 -3.785 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.499 -5.253 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.295 -5.062 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.789 -6.494 -6.575 1.00 0.00 H new ATOM 739 N THR A 49 17.633 -2.977 -4.010 1.00 0.00 N ATOM 740 CA THR A 49 16.345 -2.959 -4.748 1.00 0.00 C ATOM 741 C THR A 49 15.200 -3.342 -3.840 1.00 0.00 C ATOM 742 O THR A 49 15.339 -4.127 -2.923 1.00 0.00 O ATOM 743 CB THR A 49 16.464 -3.931 -5.881 1.00 0.00 C ATOM 744 OG1 THR A 49 17.364 -4.980 -5.548 1.00 0.00 O ATOM 745 CG2 THR A 49 16.958 -3.152 -7.087 1.00 0.00 C ATOM 0 H THR A 49 17.593 -3.400 -3.083 1.00 0.00 H new ATOM 0 HA THR A 49 16.138 -1.957 -5.122 1.00 0.00 H new ATOM 0 HB THR A 49 15.502 -4.396 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.428 -5.606 -6.299 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.059 -3.825 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.244 -2.365 -7.329 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.926 -2.706 -6.860 1.00 0.00 H new ATOM 753 N ALA A 50 14.066 -2.793 -4.106 1.00 0.00 N ATOM 754 CA ALA A 50 12.870 -3.118 -3.270 1.00 0.00 C ATOM 755 C ALA A 50 11.600 -3.024 -4.084 1.00 0.00 C ATOM 756 O ALA A 50 11.075 -1.966 -4.362 1.00 0.00 O ATOM 757 CB ALA A 50 12.864 -2.107 -2.119 1.00 0.00 C ATOM 0 H ALA A 50 13.901 -2.131 -4.864 1.00 0.00 H new ATOM 0 HA ALA A 50 12.918 -4.140 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.008 -2.297 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.784 -2.207 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.797 -1.097 -2.523 1.00 0.00 H new ATOM 763 N LYS A 51 11.105 -4.161 -4.428 1.00 0.00 N ATOM 764 CA LYS A 51 9.831 -4.244 -5.213 1.00 0.00 C ATOM 765 C LYS A 51 8.646 -3.798 -4.356 1.00 0.00 C ATOM 766 O LYS A 51 8.788 -3.396 -3.209 1.00 0.00 O ATOM 767 CB LYS A 51 9.658 -5.709 -5.627 1.00 0.00 C ATOM 768 CG LYS A 51 10.999 -6.285 -6.087 1.00 0.00 C ATOM 769 CD LYS A 51 10.755 -7.592 -6.845 1.00 0.00 C ATOM 770 CE LYS A 51 11.276 -7.463 -8.279 1.00 0.00 C ATOM 771 NZ LYS A 51 10.062 -7.210 -9.103 1.00 0.00 N ATOM 0 H LYS A 51 11.525 -5.062 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 51 9.872 -3.591 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.272 -6.289 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.926 -5.784 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.514 -5.570 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.645 -6.465 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.257 -8.416 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.690 -7.825 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.992 -6.646 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.788 -8.371 -8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.335 -7.110 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.402 -8.008 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.600 -6.336 -8.781 1.00 0.00 H new ATOM 785 N ILE A 52 7.481 -3.928 -4.906 1.00 0.00 N ATOM 786 CA ILE A 52 6.221 -3.532 -4.187 1.00 0.00 C ATOM 787 C ILE A 52 5.099 -4.523 -4.494 1.00 0.00 C ATOM 788 O ILE A 52 4.949 -4.962 -5.616 1.00 0.00 O ATOM 789 CB ILE A 52 5.790 -2.142 -4.728 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.893 -1.145 -4.484 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.536 -1.690 -3.986 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.440 0.273 -4.889 1.00 0.00 C ATOM 0 H ILE A 52 7.332 -4.299 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 52 6.403 -3.515 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 52 5.589 -2.209 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.175 -1.156 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.778 -1.427 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.225 -0.714 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.736 -2.413 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.750 -1.620 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.249 0.980 -4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.182 0.284 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.569 0.559 -4.300 1.00 0.00 H new ATOM 804 N GLU A 53 4.287 -4.865 -3.530 1.00 0.00 N ATOM 805 CA GLU A 53 3.184 -5.796 -3.820 1.00 0.00 C ATOM 806 C GLU A 53 1.942 -5.367 -3.099 1.00 0.00 C ATOM 807 O GLU A 53 1.790 -5.491 -1.892 1.00 0.00 O ATOM 808 CB GLU A 53 3.654 -7.160 -3.378 1.00 0.00 C ATOM 809 CG GLU A 53 2.507 -8.168 -3.505 1.00 0.00 C ATOM 810 CD GLU A 53 1.560 -8.023 -2.312 1.00 0.00 C ATOM 811 OE1 GLU A 53 2.040 -8.043 -1.190 1.00 0.00 O ATOM 812 OE2 GLU A 53 0.368 -7.895 -2.540 1.00 0.00 O ATOM 0 H GLU A 53 4.347 -4.538 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 53 2.931 -5.812 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.500 -7.479 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.002 -7.119 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.964 -8.001 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.904 -9.182 -3.546 1.00 0.00 H new ATOM 819 N ILE A 54 1.059 -4.875 -3.887 1.00 0.00 N ATOM 820 CA ILE A 54 -0.272 -4.402 -3.401 1.00 0.00 C ATOM 821 C ILE A 54 -1.232 -5.555 -3.527 1.00 0.00 C ATOM 822 O ILE A 54 -1.374 -6.160 -4.571 1.00 0.00 O ATOM 823 CB ILE A 54 -0.666 -3.277 -4.336 1.00 0.00 C ATOM 824 CG1 ILE A 54 -1.777 -2.488 -3.696 1.00 0.00 C ATOM 825 CG2 ILE A 54 -1.121 -3.821 -5.697 1.00 0.00 C ATOM 826 CD1 ILE A 54 -2.950 -3.400 -3.445 1.00 0.00 C ATOM 0 H ILE A 54 1.196 -4.770 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.265 -4.059 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 54 0.199 -2.637 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.435 -2.049 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.074 -1.663 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.397 -2.991 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.307 -4.384 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.982 -4.475 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.758 -2.834 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.295 -3.817 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.646 -4.209 -2.781 1.00 0.00 H new ATOM 838 N LYS A 55 -1.901 -5.844 -2.485 1.00 0.00 N ATOM 839 CA LYS A 55 -2.894 -6.962 -2.554 1.00 0.00 C ATOM 840 C LYS A 55 -4.223 -6.438 -2.033 1.00 0.00 C ATOM 841 O LYS A 55 -4.256 -5.633 -1.149 1.00 0.00 O ATOM 842 CB LYS A 55 -2.341 -8.133 -1.705 1.00 0.00 C ATOM 843 CG LYS A 55 -3.499 -8.973 -1.146 1.00 0.00 C ATOM 844 CD LYS A 55 -2.943 -10.092 -0.262 1.00 0.00 C ATOM 845 CE LYS A 55 -3.547 -11.433 -0.688 1.00 0.00 C ATOM 846 NZ LYS A 55 -3.774 -12.173 0.586 1.00 0.00 N ATOM 0 H LYS A 55 -1.823 -5.374 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.053 -7.325 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.689 -8.758 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.735 -7.744 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.174 -8.341 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.081 -9.397 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.857 -10.129 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.176 -9.893 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.480 -11.291 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.872 -11.979 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.187 -13.104 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.868 -12.299 1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.426 -11.632 1.190 1.00 0.00 H new ATOM 860 N ALA A 56 -5.325 -6.819 -2.603 1.00 0.00 N ATOM 861 CA ALA A 56 -6.590 -6.238 -2.099 1.00 0.00 C ATOM 862 C ALA A 56 -7.679 -7.287 -1.926 1.00 0.00 C ATOM 863 O ALA A 56 -7.933 -8.090 -2.799 1.00 0.00 O ATOM 864 CB ALA A 56 -6.965 -5.201 -3.151 1.00 0.00 C ATOM 0 H ALA A 56 -5.406 -7.485 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.474 -5.804 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.896 -4.712 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.173 -4.456 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.095 -5.692 -4.116 1.00 0.00 H new ATOM 870 N SER A 57 -8.354 -7.243 -0.818 1.00 0.00 N ATOM 871 CA SER A 57 -9.484 -8.197 -0.588 1.00 0.00 C ATOM 872 C SER A 57 -10.775 -7.390 -0.708 1.00 0.00 C ATOM 873 O SER A 57 -11.137 -6.680 0.194 1.00 0.00 O ATOM 874 CB SER A 57 -9.284 -8.756 0.835 1.00 0.00 C ATOM 875 OG SER A 57 -10.235 -8.170 1.713 1.00 0.00 O ATOM 0 H SER A 57 -8.177 -6.589 -0.056 1.00 0.00 H new ATOM 0 HA SER A 57 -9.525 -9.023 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.397 -9.840 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.273 -8.543 1.182 1.00 0.00 H new ATOM 0 HG SER A 57 -10.331 -7.218 1.502 1.00 0.00 H new ATOM 881 N ILE A 58 -11.433 -7.448 -1.837 1.00 0.00 N ATOM 882 CA ILE A 58 -12.682 -6.612 -2.028 1.00 0.00 C ATOM 883 C ILE A 58 -13.933 -7.510 -2.114 1.00 0.00 C ATOM 884 O ILE A 58 -14.250 -8.117 -3.116 1.00 0.00 O ATOM 885 CB ILE A 58 -12.437 -5.790 -3.341 1.00 0.00 C ATOM 886 CG1 ILE A 58 -12.970 -6.561 -4.569 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.941 -5.514 -3.505 1.00 0.00 C ATOM 888 CD1 ILE A 58 -12.308 -6.047 -5.851 1.00 0.00 C ATOM 0 H ILE A 58 -11.172 -8.028 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.868 -5.943 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.972 -4.843 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.772 -7.626 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.051 -6.444 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.774 -4.943 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.580 -4.943 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.401 -6.459 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.694 -6.600 -6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.529 -4.987 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.229 -6.188 -5.785 1.00 0.00 H new ATOM 900 N ASP A 59 -14.638 -7.571 -1.030 1.00 0.00 N ATOM 901 CA ASP A 59 -15.911 -8.398 -0.943 1.00 0.00 C ATOM 902 C ASP A 59 -15.821 -9.722 -1.712 1.00 0.00 C ATOM 903 O ASP A 59 -16.567 -9.965 -2.639 1.00 0.00 O ATOM 904 CB ASP A 59 -17.022 -7.519 -1.557 1.00 0.00 C ATOM 905 CG ASP A 59 -16.555 -6.978 -2.909 1.00 0.00 C ATOM 906 OD1 ASP A 59 -16.488 -7.758 -3.846 1.00 0.00 O ATOM 907 OD2 ASP A 59 -16.270 -5.795 -2.986 1.00 0.00 O ATOM 0 H ASP A 59 -14.398 -7.079 -0.169 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.102 -8.669 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.934 -8.102 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.260 -6.694 -0.886 1.00 0.00 H new ATOM 912 N GLY A 60 -14.955 -10.597 -1.296 1.00 0.00 N ATOM 913 CA GLY A 60 -14.849 -11.931 -1.946 1.00 0.00 C ATOM 914 C GLY A 60 -14.050 -11.860 -3.244 1.00 0.00 C ATOM 915 O GLY A 60 -13.622 -12.868 -3.771 1.00 0.00 O ATOM 0 H GLY A 60 -14.307 -10.444 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.372 -12.633 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.847 -12.316 -2.153 1.00 0.00 H new ATOM 919 N LEU A 61 -13.874 -10.697 -3.781 1.00 0.00 N ATOM 920 CA LEU A 61 -13.151 -10.564 -5.040 1.00 0.00 C ATOM 921 C LEU A 61 -11.775 -9.944 -4.833 1.00 0.00 C ATOM 922 O LEU A 61 -11.448 -8.919 -5.397 1.00 0.00 O ATOM 923 CB LEU A 61 -14.026 -9.646 -5.782 1.00 0.00 C ATOM 924 CG LEU A 61 -13.962 -10.035 -7.250 1.00 0.00 C ATOM 925 CD1 LEU A 61 -15.374 -10.248 -7.797 1.00 0.00 C ATOM 926 CD2 LEU A 61 -13.255 -8.935 -8.049 1.00 0.00 C ATOM 0 H LEU A 61 -14.212 -9.820 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.961 -11.514 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.050 -9.711 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.703 -8.614 -5.645 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.401 -10.964 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -15.318 -10.526 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.865 -11.044 -7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.946 -9.326 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.212 -9.219 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.807 -8.000 -7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.243 -8.802 -7.668 1.00 0.00 H new ATOM 938 N GLU A 62 -10.964 -10.562 -4.026 1.00 0.00 N ATOM 939 CA GLU A 62 -9.641 -10.074 -3.749 1.00 0.00 C ATOM 940 C GLU A 62 -8.810 -9.994 -5.024 1.00 0.00 C ATOM 941 O GLU A 62 -8.523 -10.984 -5.668 1.00 0.00 O ATOM 942 CB GLU A 62 -9.239 -11.176 -2.779 1.00 0.00 C ATOM 943 CG GLU A 62 -8.037 -11.961 -3.287 1.00 0.00 C ATOM 944 CD GLU A 62 -7.210 -12.470 -2.104 1.00 0.00 C ATOM 945 OE1 GLU A 62 -7.774 -12.617 -1.032 1.00 0.00 O ATOM 946 OE2 GLU A 62 -6.027 -12.703 -2.289 1.00 0.00 O ATOM 0 H GLU A 62 -11.201 -11.425 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.530 -9.063 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.005 -10.739 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.080 -11.854 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.371 -12.801 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.422 -11.328 -3.926 1.00 0.00 H new ATOM 953 N VAL A 63 -8.420 -8.808 -5.376 1.00 0.00 N ATOM 954 CA VAL A 63 -7.599 -8.621 -6.596 1.00 0.00 C ATOM 955 C VAL A 63 -6.174 -9.048 -6.353 1.00 0.00 C ATOM 956 O VAL A 63 -5.648 -8.978 -5.260 1.00 0.00 O ATOM 957 CB VAL A 63 -7.636 -7.149 -6.925 1.00 0.00 C ATOM 958 CG1 VAL A 63 -9.089 -6.686 -7.012 1.00 0.00 C ATOM 959 CG2 VAL A 63 -6.897 -6.371 -5.836 1.00 0.00 C ATOM 0 H VAL A 63 -8.637 -7.952 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.991 -9.226 -7.414 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.149 -6.969 -7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.118 -5.623 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.603 -7.247 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.584 -6.858 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.921 -5.307 -6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.381 -6.543 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.862 -6.708 -5.787 1.00 0.00 H new ATOM 969 N ASP A 64 -5.586 -9.558 -7.369 1.00 0.00 N ATOM 970 CA ASP A 64 -4.234 -10.093 -7.281 1.00 0.00 C ATOM 971 C ASP A 64 -3.410 -9.702 -8.492 1.00 0.00 C ATOM 972 O ASP A 64 -3.172 -10.481 -9.393 1.00 0.00 O ATOM 973 CB ASP A 64 -4.605 -11.505 -7.400 1.00 0.00 C ATOM 974 CG ASP A 64 -3.513 -12.417 -6.840 1.00 0.00 C ATOM 975 OD1 ASP A 64 -2.555 -12.669 -7.554 1.00 0.00 O ATOM 976 OD2 ASP A 64 -3.650 -12.846 -5.707 1.00 0.00 O ATOM 0 H ASP A 64 -6.007 -9.628 -8.295 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.648 -9.782 -6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.539 -11.684 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.784 -11.749 -8.447 1.00 0.00 H new ATOM 981 N VAL A 65 -2.982 -8.502 -8.502 1.00 0.00 N ATOM 982 CA VAL A 65 -2.153 -8.005 -9.646 1.00 0.00 C ATOM 983 C VAL A 65 -1.445 -6.700 -9.266 1.00 0.00 C ATOM 984 O VAL A 65 -1.947 -5.945 -8.457 1.00 0.00 O ATOM 985 CB VAL A 65 -3.147 -7.768 -10.786 1.00 0.00 C ATOM 986 CG1 VAL A 65 -3.974 -6.513 -10.494 1.00 0.00 C ATOM 987 CG2 VAL A 65 -2.384 -7.580 -12.100 1.00 0.00 C ATOM 0 H VAL A 65 -3.160 -7.817 -7.768 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.374 -8.714 -9.927 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.811 -8.629 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.681 -6.346 -11.307 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.520 -6.646 -9.560 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.311 -5.652 -10.407 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.092 -7.411 -12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.719 -6.721 -12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.797 -8.474 -12.311 1.00 0.00 H new ATOM 997 N PRO A 66 -0.296 -6.466 -9.858 1.00 0.00 N ATOM 998 CA PRO A 66 0.467 -5.242 -9.564 1.00 0.00 C ATOM 999 C PRO A 66 0.029 -4.097 -10.433 1.00 0.00 C ATOM 1000 O PRO A 66 -0.244 -4.207 -11.611 1.00 0.00 O ATOM 1001 CB PRO A 66 1.902 -5.625 -9.860 1.00 0.00 C ATOM 1002 CG PRO A 66 1.823 -6.760 -10.844 1.00 0.00 C ATOM 1003 CD PRO A 66 0.407 -7.301 -10.840 1.00 0.00 C ATOM 0 HA PRO A 66 0.322 -4.902 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.455 -4.783 -10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.422 -5.929 -8.952 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.094 -6.416 -11.842 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.529 -7.545 -10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.051 -7.226 -11.826 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.384 -8.353 -10.557 1.00 0.00 H new ATOM 1011 N GLY A 67 -0.037 -2.998 -9.794 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.466 -1.727 -10.464 1.00 0.00 C ATOM 1013 C GLY A 67 0.564 -0.614 -10.213 1.00 0.00 C ATOM 1014 O GLY A 67 0.215 0.449 -9.742 1.00 0.00 O ATOM 0 H GLY A 67 0.190 -2.898 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.577 -1.893 -11.536 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.441 -1.421 -10.086 1.00 0.00 H new ATOM 1018 N ILE A 68 1.838 -0.834 -10.485 1.00 0.00 N ATOM 1019 CA ILE A 68 2.836 0.230 -10.215 1.00 0.00 C ATOM 1020 C ILE A 68 4.252 -0.244 -10.606 1.00 0.00 C ATOM 1021 O ILE A 68 4.435 -1.363 -11.038 1.00 0.00 O ATOM 1022 CB ILE A 68 2.721 0.378 -8.707 1.00 0.00 C ATOM 1023 CG1 ILE A 68 3.026 1.795 -8.302 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.663 -0.587 -7.994 1.00 0.00 C ATOM 1025 CD1 ILE A 68 1.881 2.702 -8.740 1.00 0.00 C ATOM 0 H ILE A 68 2.213 -1.698 -10.877 1.00 0.00 H new ATOM 0 HA ILE A 68 2.668 1.153 -10.770 1.00 0.00 H new ATOM 0 HB ILE A 68 1.699 0.137 -8.415 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.161 1.856 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.960 2.123 -8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.563 -0.463 -6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.409 -1.611 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.691 -0.377 -8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.099 3.729 -8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.768 2.648 -9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.957 2.377 -8.262 1.00 0.00 H new ATOM 1037 N ASP A 69 5.259 0.568 -10.370 1.00 0.00 N ATOM 1038 CA ASP A 69 6.668 0.111 -10.629 1.00 0.00 C ATOM 1039 C ASP A 69 7.343 0.003 -9.285 1.00 0.00 C ATOM 1040 O ASP A 69 8.039 0.886 -8.827 1.00 0.00 O ATOM 1041 CB ASP A 69 7.381 1.098 -11.517 1.00 0.00 C ATOM 1042 CG ASP A 69 8.746 0.525 -11.905 1.00 0.00 C ATOM 1043 OD1 ASP A 69 9.470 0.116 -11.012 1.00 0.00 O ATOM 1044 OD2 ASP A 69 9.042 0.502 -13.088 1.00 0.00 O ATOM 0 H ASP A 69 5.169 1.519 -10.013 1.00 0.00 H new ATOM 0 HA ASP A 69 6.686 -0.850 -11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.789 1.297 -12.410 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.506 2.049 -10.999 1.00 0.00 H new ATOM 1049 N PRO A 70 7.084 -1.125 -8.723 1.00 0.00 N ATOM 1050 CA PRO A 70 7.605 -1.542 -7.395 1.00 0.00 C ATOM 1051 C PRO A 70 9.100 -1.358 -7.170 1.00 0.00 C ATOM 1052 O PRO A 70 9.582 -1.574 -6.080 1.00 0.00 O ATOM 1053 CB PRO A 70 7.279 -3.016 -7.401 1.00 0.00 C ATOM 1054 CG PRO A 70 7.086 -3.318 -8.865 1.00 0.00 C ATOM 1055 CD PRO A 70 6.268 -2.195 -9.284 1.00 0.00 C ATOM 0 HA PRO A 70 7.167 -0.935 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.086 -3.609 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.381 -3.232 -6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.033 -3.360 -9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.585 -4.273 -9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.163 -2.126 -10.367 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.261 -2.224 -8.868 1.00 0.00 H new ATOM 1063 N ASN A 71 9.848 -0.981 -8.143 1.00 0.00 N ATOM 1064 CA ASN A 71 11.296 -0.829 -7.891 1.00 0.00 C ATOM 1065 C ASN A 71 11.618 0.653 -7.721 1.00 0.00 C ATOM 1066 O ASN A 71 11.885 1.353 -8.677 1.00 0.00 O ATOM 1067 CB ASN A 71 11.990 -1.415 -9.109 1.00 0.00 C ATOM 1068 CG ASN A 71 11.259 -2.682 -9.575 1.00 0.00 C ATOM 1069 OD1 ASN A 71 11.341 -3.711 -8.933 1.00 0.00 O ATOM 1070 ND2 ASN A 71 10.538 -2.654 -10.667 1.00 0.00 N ATOM 0 H ASN A 71 9.533 -0.772 -9.091 1.00 0.00 H new ATOM 0 HA ASN A 71 11.625 -1.337 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.010 -0.681 -9.914 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.026 -1.652 -8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.048 -3.493 -10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.466 -1.793 -11.209 1.00 0.00 H new ATOM 1077 N ALA A 72 11.590 1.138 -6.508 1.00 0.00 N ATOM 1078 CA ALA A 72 11.888 2.575 -6.273 1.00 0.00 C ATOM 1079 C ALA A 72 13.390 2.806 -6.372 1.00 0.00 C ATOM 1080 O ALA A 72 13.876 3.884 -6.087 1.00 0.00 O ATOM 1081 CB ALA A 72 11.386 2.868 -4.859 1.00 0.00 C ATOM 0 H ALA A 72 11.373 0.598 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 72 11.411 3.226 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.573 3.914 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.316 2.669 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.911 2.231 -4.147 1.00 0.00 H new ATOM 1087 N CYS A 73 14.144 1.814 -6.774 1.00 0.00 N ATOM 1088 CA CYS A 73 15.587 2.011 -6.879 1.00 0.00 C ATOM 1089 C CYS A 73 15.889 2.756 -8.161 1.00 0.00 C ATOM 1090 O CYS A 73 16.874 3.459 -8.275 1.00 0.00 O ATOM 1091 CB CYS A 73 16.116 0.600 -6.890 1.00 0.00 C ATOM 1092 SG CYS A 73 17.853 0.574 -7.398 1.00 0.00 S ATOM 0 H CYS A 73 13.807 0.886 -7.029 1.00 0.00 H new ATOM 0 HA CYS A 73 16.034 2.602 -6.080 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.015 0.160 -5.898 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.523 -0.011 -7.571 1.00 0.00 H new ATOM 1097 N HIS A 74 15.012 2.658 -9.112 1.00 0.00 N ATOM 1098 CA HIS A 74 15.218 3.413 -10.348 1.00 0.00 C ATOM 1099 C HIS A 74 14.781 4.858 -10.128 1.00 0.00 C ATOM 1100 O HIS A 74 14.765 5.658 -11.042 1.00 0.00 O ATOM 1101 CB HIS A 74 14.427 2.776 -11.481 1.00 0.00 C ATOM 1102 CG HIS A 74 14.286 1.303 -11.274 1.00 0.00 C ATOM 1103 ND1 HIS A 74 15.321 0.557 -10.774 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.271 0.419 -11.539 1.00 0.00 C ATOM 1105 CE1 HIS A 74 14.928 -0.729 -10.749 1.00 0.00 C ATOM 1106 NE2 HIS A 74 13.682 -0.870 -11.208 1.00 0.00 N ATOM 0 H HIS A 74 14.167 2.087 -9.078 1.00 0.00 H new ATOM 0 HA HIS A 74 16.273 3.399 -10.620 1.00 0.00 H new ATOM 0 HB2 HIS A 74 13.440 3.234 -11.543 1.00 0.00 H new ATOM 0 HB3 HIS A 74 14.927 2.967 -12.431 1.00 0.00 H new ATOM 0 HD1 HIS A 74 16.228 0.914 -10.474 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.304 0.682 -11.942 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.543 -1.546 -10.401 1.00 0.00 H new ATOM 1114 N TYR A 75 14.474 5.215 -8.901 1.00 0.00 N ATOM 1115 CA TYR A 75 14.099 6.601 -8.614 1.00 0.00 C ATOM 1116 C TYR A 75 14.847 7.106 -7.380 1.00 0.00 C ATOM 1117 O TYR A 75 14.731 8.262 -7.021 1.00 0.00 O ATOM 1118 CB TYR A 75 12.569 6.738 -8.416 1.00 0.00 C ATOM 1119 CG TYR A 75 11.754 5.538 -8.932 1.00 0.00 C ATOM 1120 CD1 TYR A 75 11.958 5.023 -10.229 1.00 0.00 C ATOM 1121 CD2 TYR A 75 10.739 4.973 -8.128 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.167 3.968 -10.704 1.00 0.00 C ATOM 1123 CE2 TYR A 75 9.962 3.913 -8.615 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.176 3.420 -9.896 1.00 0.00 C ATOM 1125 OH TYR A 75 9.409 2.384 -10.362 1.00 0.00 O ATOM 0 H TYR A 75 14.473 4.589 -8.096 1.00 0.00 H new ATOM 0 HA TYR A 75 14.380 7.213 -9.471 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.362 6.873 -7.354 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.228 7.640 -8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.728 5.444 -10.859 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.561 5.359 -7.135 1.00 0.00 H new ATOM 0 HE1 TYR A 75 11.327 3.580 -11.699 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.194 3.478 -7.992 1.00 0.00 H new ATOM 0 HH TYR A 75 9.688 1.550 -9.929 1.00 0.00 H new ATOM 1135 N MET A 76 15.640 6.283 -6.725 1.00 0.00 N ATOM 1136 CA MET A 76 16.370 6.799 -5.565 1.00 0.00 C ATOM 1137 C MET A 76 17.643 6.033 -5.256 1.00 0.00 C ATOM 1138 O MET A 76 17.705 4.822 -5.178 1.00 0.00 O ATOM 1139 CB MET A 76 15.416 6.826 -4.394 1.00 0.00 C ATOM 1140 CG MET A 76 15.347 5.471 -3.878 1.00 0.00 C ATOM 1141 SD MET A 76 13.667 5.071 -3.336 1.00 0.00 S ATOM 1142 CE MET A 76 13.993 3.379 -2.790 1.00 0.00 C ATOM 0 H MET A 76 15.798 5.301 -6.953 1.00 0.00 H new ATOM 0 HA MET A 76 16.720 7.807 -5.789 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.767 7.515 -3.626 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.430 7.171 -4.706 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.662 4.768 -4.649 1.00 0.00 H new ATOM 0 HG3 MET A 76 16.039 5.360 -3.043 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.069 2.929 -2.427 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.377 2.794 -3.626 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.730 3.391 -1.987 1.00 0.00 H new ATOM 1152 N LYS A 77 18.650 6.815 -5.118 1.00 0.00 N ATOM 1153 CA LYS A 77 20.020 6.358 -4.845 1.00 0.00 C ATOM 1154 C LYS A 77 20.080 4.989 -4.236 1.00 0.00 C ATOM 1155 O LYS A 77 19.866 4.752 -3.064 1.00 0.00 O ATOM 1156 CB LYS A 77 20.653 7.401 -3.927 1.00 0.00 C ATOM 1157 CG LYS A 77 19.720 7.684 -2.754 1.00 0.00 C ATOM 1158 CD LYS A 77 20.413 8.645 -1.797 1.00 0.00 C ATOM 1159 CE LYS A 77 19.415 9.139 -0.748 1.00 0.00 C ATOM 1160 NZ LYS A 77 20.195 9.210 0.518 1.00 0.00 N ATOM 0 H LYS A 77 18.572 7.830 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 77 20.566 6.265 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.615 7.042 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.845 8.319 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 77 18.785 8.116 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.467 6.756 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 77 21.251 8.146 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.823 9.491 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 77 19.009 10.114 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.570 8.457 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 19.579 9.542 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 20.564 8.266 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 20.988 9.872 0.400 1.00 0.00 H new ATOM 1174 N CYS A 78 20.409 4.115 -5.090 1.00 0.00 N ATOM 1175 CA CYS A 78 20.575 2.701 -4.775 1.00 0.00 C ATOM 1176 C CYS A 78 22.078 2.407 -4.586 1.00 0.00 C ATOM 1177 O CYS A 78 22.891 3.022 -5.246 1.00 0.00 O ATOM 1178 CB CYS A 78 20.064 2.082 -6.033 1.00 0.00 C ATOM 1179 SG CYS A 78 18.896 0.752 -5.674 1.00 0.00 S ATOM 0 H CYS A 78 20.584 4.336 -6.070 1.00 0.00 H new ATOM 0 HA CYS A 78 20.076 2.350 -3.872 1.00 0.00 H new ATOM 0 HB2 CYS A 78 19.578 2.842 -6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.899 1.690 -6.615 1.00 0.00 H new ATOM 1184 N PRO A 79 22.427 1.495 -3.711 1.00 0.00 N ATOM 1185 CA PRO A 79 21.453 0.740 -2.904 1.00 0.00 C ATOM 1186 C PRO A 79 21.088 1.489 -1.625 1.00 0.00 C ATOM 1187 O PRO A 79 21.719 2.451 -1.233 1.00 0.00 O ATOM 1188 CB PRO A 79 22.202 -0.542 -2.556 1.00 0.00 C ATOM 1189 CG PRO A 79 23.634 -0.228 -2.665 1.00 0.00 C ATOM 1190 CD PRO A 79 23.793 1.087 -3.393 1.00 0.00 C ATOM 0 HA PRO A 79 20.516 0.573 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 79 21.953 -0.876 -1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 79 21.928 -1.349 -3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.083 -0.167 -1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.154 -1.021 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.294 1.828 -2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 79 24.393 0.971 -4.295 1.00 0.00 H new ATOM 1198 N LEU A 80 20.064 1.032 -0.989 1.00 0.00 N ATOM 1199 CA LEU A 80 19.578 1.644 0.268 1.00 0.00 C ATOM 1200 C LEU A 80 20.244 0.993 1.489 1.00 0.00 C ATOM 1201 O LEU A 80 20.241 -0.221 1.661 1.00 0.00 O ATOM 1202 CB LEU A 80 18.079 1.369 0.217 1.00 0.00 C ATOM 1203 CG LEU A 80 17.431 2.229 -0.882 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.465 2.898 -1.825 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.520 1.343 -1.727 1.00 0.00 C ATOM 0 H LEU A 80 19.520 0.227 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 80 19.808 2.705 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.900 0.312 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.625 1.593 1.182 1.00 0.00 H new ATOM 0 HG LEU A 80 16.880 3.024 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.942 3.490 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.121 3.547 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.059 2.129 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.055 1.942 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.108 0.545 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.746 0.908 -1.094 1.00 0.00 H new ATOM 1217 N VAL A 81 20.836 1.819 2.318 1.00 0.00 N ATOM 1218 CA VAL A 81 21.527 1.344 3.523 1.00 0.00 C ATOM 1219 C VAL A 81 20.717 1.611 4.779 1.00 0.00 C ATOM 1220 O VAL A 81 20.050 2.607 4.962 1.00 0.00 O ATOM 1221 CB VAL A 81 22.869 2.051 3.572 1.00 0.00 C ATOM 1222 CG1 VAL A 81 23.880 1.151 4.283 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.367 2.359 2.154 1.00 0.00 C ATOM 0 H VAL A 81 20.861 2.831 2.191 1.00 0.00 H new ATOM 0 HA VAL A 81 21.661 0.263 3.480 1.00 0.00 H new ATOM 0 HB VAL A 81 22.757 2.991 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 81 24.848 1.651 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.535 0.946 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 81 23.979 0.213 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.330 2.866 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.478 1.429 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.647 3.002 1.647 1.00 0.00 H new ATOM 1233 N LYS A 82 20.743 0.621 5.575 1.00 0.00 N ATOM 1234 CA LYS A 82 19.973 0.530 6.848 1.00 0.00 C ATOM 1235 C LYS A 82 19.960 1.770 7.711 1.00 0.00 C ATOM 1236 O LYS A 82 20.942 2.230 8.259 1.00 0.00 O ATOM 1237 CB LYS A 82 20.564 -0.663 7.560 1.00 0.00 C ATOM 1238 CG LYS A 82 19.698 -1.146 8.709 1.00 0.00 C ATOM 1239 CD LYS A 82 20.186 -0.617 9.948 1.00 0.00 C ATOM 1240 CE LYS A 82 21.344 -1.479 10.262 1.00 0.00 C ATOM 1241 NZ LYS A 82 22.089 -0.804 11.361 1.00 0.00 N ATOM 0 H LYS A 82 21.310 -0.208 5.395 1.00 0.00 H new ATOM 0 HA LYS A 82 18.912 0.422 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.701 -1.476 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.552 -0.402 7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.665 -0.834 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.700 -2.235 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.479 0.428 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.428 -0.663 10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.016 -2.472 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.979 -1.609 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.919 -1.375 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.401 0.136 11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.468 -0.701 12.189 1.00 0.00 H new ATOM 1255 N GLY A 83 18.773 2.264 7.820 1.00 0.00 N ATOM 1256 CA GLY A 83 18.455 3.455 8.624 1.00 0.00 C ATOM 1257 C GLY A 83 17.918 4.513 7.703 1.00 0.00 C ATOM 1258 O GLY A 83 17.275 5.463 8.104 1.00 0.00 O ATOM 0 H GLY A 83 17.961 1.862 7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.721 3.211 9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.346 3.815 9.139 1.00 0.00 H new ATOM 1262 N GLN A 84 18.183 4.339 6.463 1.00 0.00 N ATOM 1263 CA GLN A 84 17.706 5.306 5.479 1.00 0.00 C ATOM 1264 C GLN A 84 16.236 5.189 5.255 1.00 0.00 C ATOM 1265 O GLN A 84 15.690 4.143 4.950 1.00 0.00 O ATOM 1266 CB GLN A 84 18.464 5.146 4.194 1.00 0.00 C ATOM 1267 CG GLN A 84 19.928 5.494 4.431 1.00 0.00 C ATOM 1268 CD GLN A 84 20.570 6.055 3.139 1.00 0.00 C ATOM 1269 OE1 GLN A 84 19.934 6.017 1.976 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 21.680 6.545 3.185 1.00 0.00 N flip ATOM 0 H GLN A 84 18.717 3.557 6.084 1.00 0.00 H new ATOM 0 HA GLN A 84 17.887 6.307 5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.375 4.122 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 84 18.043 5.795 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.008 6.229 5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.470 4.607 4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.184 6.583 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.108 6.919 2.338 1.00 0.00 H new ATOM 1279 N GLN A 85 15.610 6.285 5.406 1.00 0.00 N ATOM 1280 CA GLN A 85 14.132 6.336 5.199 1.00 0.00 C ATOM 1281 C GLN A 85 13.854 5.996 3.749 1.00 0.00 C ATOM 1282 O GLN A 85 14.593 6.349 2.852 1.00 0.00 O ATOM 1283 CB GLN A 85 13.665 7.770 5.550 1.00 0.00 C ATOM 1284 CG GLN A 85 13.698 8.674 4.306 1.00 0.00 C ATOM 1285 CD GLN A 85 13.693 10.158 4.731 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.644 10.502 6.006 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 13.734 11.028 3.883 1.00 0.00 N flip ATOM 0 H GLN A 85 16.043 7.171 5.667 1.00 0.00 H new ATOM 0 HA GLN A 85 13.595 5.626 5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.654 7.739 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.307 8.187 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.588 8.460 3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.836 8.466 3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.772 10.776 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.730 12.010 4.159 1.00 0.00 H new ATOM 1296 N TYR A 86 12.802 5.299 3.530 1.00 0.00 N ATOM 1297 CA TYR A 86 12.440 4.890 2.168 1.00 0.00 C ATOM 1298 C TYR A 86 10.942 4.933 2.046 1.00 0.00 C ATOM 1299 O TYR A 86 10.212 4.391 2.855 1.00 0.00 O ATOM 1300 CB TYR A 86 12.973 3.473 2.031 1.00 0.00 C ATOM 1301 CG TYR A 86 14.471 3.585 1.976 1.00 0.00 C ATOM 1302 CD1 TYR A 86 15.042 4.524 1.115 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.290 2.792 2.784 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.412 4.675 1.050 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.672 2.943 2.715 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.238 3.883 1.847 1.00 0.00 C ATOM 1307 OH TYR A 86 18.606 4.025 1.782 1.00 0.00 O ATOM 0 H TYR A 86 12.158 4.985 4.256 1.00 0.00 H new ATOM 0 HA TYR A 86 12.850 5.533 1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.661 2.858 2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.586 2.998 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.406 5.138 0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.854 2.068 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 86 16.844 5.406 0.383 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.311 2.331 3.335 1.00 0.00 H new ATOM 0 HH TYR A 86 18.832 4.974 1.688 1.00 0.00 H new ATOM 1317 N ASP A 87 10.484 5.606 1.062 1.00 0.00 N ATOM 1318 CA ASP A 87 9.024 5.732 0.888 1.00 0.00 C ATOM 1319 C ASP A 87 8.592 5.102 -0.419 1.00 0.00 C ATOM 1320 O ASP A 87 9.150 5.328 -1.474 1.00 0.00 O ATOM 1321 CB ASP A 87 8.718 7.241 0.899 1.00 0.00 C ATOM 1322 CG ASP A 87 9.776 7.980 0.077 1.00 0.00 C ATOM 1323 OD1 ASP A 87 10.896 8.092 0.549 1.00 0.00 O ATOM 1324 OD2 ASP A 87 9.449 8.422 -1.013 1.00 0.00 O ATOM 0 H ASP A 87 11.052 6.081 0.361 1.00 0.00 H new ATOM 0 HA ASP A 87 8.481 5.218 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.726 7.425 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.711 7.614 1.923 1.00 0.00 H new ATOM 1329 N ILE A 88 7.575 4.319 -0.324 1.00 0.00 N ATOM 1330 CA ILE A 88 7.021 3.635 -1.521 1.00 0.00 C ATOM 1331 C ILE A 88 5.764 4.374 -1.958 1.00 0.00 C ATOM 1332 O ILE A 88 5.168 5.129 -1.212 1.00 0.00 O ATOM 1333 CB ILE A 88 6.708 2.195 -1.095 1.00 0.00 C ATOM 1334 CG1 ILE A 88 6.646 1.299 -2.328 1.00 0.00 C ATOM 1335 CG2 ILE A 88 5.397 2.158 -0.295 1.00 0.00 C ATOM 1336 CD1 ILE A 88 5.664 0.140 -2.142 1.00 0.00 C ATOM 0 H ILE A 88 7.087 4.114 0.548 1.00 0.00 H new ATOM 0 HA ILE A 88 7.715 3.628 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 88 7.500 1.820 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.348 1.892 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.639 0.903 -2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.182 1.132 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.495 2.782 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.582 2.534 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.650 -0.473 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.976 -0.469 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.665 0.535 -1.957 1.00 0.00 H new ATOM 1348 N LYS A 89 5.387 4.178 -3.175 1.00 0.00 N ATOM 1349 CA LYS A 89 4.192 4.881 -3.719 1.00 0.00 C ATOM 1350 C LYS A 89 3.403 3.970 -4.658 1.00 0.00 C ATOM 1351 O LYS A 89 3.968 3.180 -5.387 1.00 0.00 O ATOM 1352 CB LYS A 89 4.779 6.054 -4.500 1.00 0.00 C ATOM 1353 CG LYS A 89 3.827 7.241 -4.423 1.00 0.00 C ATOM 1354 CD LYS A 89 3.853 7.997 -5.751 1.00 0.00 C ATOM 1355 CE LYS A 89 4.572 9.334 -5.564 1.00 0.00 C ATOM 1356 NZ LYS A 89 3.818 10.033 -4.485 1.00 0.00 N ATOM 0 H LYS A 89 5.856 3.554 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 89 3.501 5.190 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.752 6.327 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.939 5.769 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.815 6.897 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.119 7.904 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.361 7.402 -6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.836 8.165 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.615 9.185 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.570 9.915 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.750 11.046 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.862 9.629 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.315 9.912 -3.580 1.00 0.00 H new ATOM 1370 N TYR A 90 2.100 4.084 -4.664 1.00 0.00 N ATOM 1371 CA TYR A 90 1.298 3.228 -5.583 1.00 0.00 C ATOM 1372 C TYR A 90 0.025 3.949 -6.022 1.00 0.00 C ATOM 1373 O TYR A 90 -0.930 4.025 -5.261 1.00 0.00 O ATOM 1374 CB TYR A 90 0.924 1.983 -4.791 1.00 0.00 C ATOM 1375 CG TYR A 90 0.049 1.115 -5.683 1.00 0.00 C ATOM 1376 CD1 TYR A 90 -1.328 1.377 -5.823 1.00 0.00 C ATOM 1377 CD2 TYR A 90 0.622 0.068 -6.412 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -2.104 0.593 -6.679 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -0.164 -0.714 -7.264 1.00 0.00 C ATOM 1380 CZ TYR A 90 -1.526 -0.450 -7.395 1.00 0.00 C ATOM 1381 OH TYR A 90 -2.305 -1.223 -8.228 1.00 0.00 O ATOM 0 H TYR A 90 1.563 4.725 -4.079 1.00 0.00 H new ATOM 0 HA TYR A 90 1.869 2.987 -6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.819 1.440 -4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.391 2.255 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.783 2.184 -5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.678 -0.138 -6.316 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.159 0.798 -6.786 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.285 -1.523 -7.821 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.161 -0.773 -8.386 1.00 0.00 H new ATOM 1391 N THR A 91 -0.016 4.479 -7.210 1.00 0.00 N ATOM 1392 CA THR A 91 -1.247 5.178 -7.684 1.00 0.00 C ATOM 1393 C THR A 91 -1.714 4.485 -8.951 1.00 0.00 C ATOM 1394 O THR A 91 -1.031 4.455 -9.957 1.00 0.00 O ATOM 1395 CB THR A 91 -0.821 6.632 -7.946 1.00 0.00 C ATOM 1396 OG1 THR A 91 -1.802 7.270 -8.751 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.523 6.643 -8.674 1.00 0.00 C ATOM 0 H THR A 91 0.753 4.460 -7.879 1.00 0.00 H new ATOM 0 HA THR A 91 -2.071 5.156 -6.971 1.00 0.00 H new ATOM 0 HB THR A 91 -0.725 7.163 -6.999 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.535 8.198 -8.919 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.827 7.673 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.274 6.149 -8.058 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.427 6.115 -9.623 1.00 0.00 H new ATOM 1405 N TRP A 92 -2.858 3.881 -8.879 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.377 3.125 -10.045 1.00 0.00 C ATOM 1407 C TRP A 92 -4.899 3.319 -10.160 1.00 0.00 C ATOM 1408 O TRP A 92 -5.635 2.810 -9.337 1.00 0.00 O ATOM 1409 CB TRP A 92 -3.059 1.693 -9.669 1.00 0.00 C ATOM 1410 CG TRP A 92 -2.695 0.916 -10.894 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.500 0.980 -11.526 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.497 -0.043 -11.632 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -1.535 0.150 -12.635 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -2.743 -0.510 -12.736 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -4.795 -0.541 -11.455 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -3.268 -1.440 -13.636 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.327 -1.479 -12.355 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -4.564 -1.927 -13.444 1.00 0.00 C ATOM 0 H TRP A 92 -3.462 3.877 -8.057 1.00 0.00 H new ATOM 0 HA TRP A 92 -2.950 3.433 -10.999 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.236 1.669 -8.954 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.919 1.236 -9.180 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.657 1.580 -11.217 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.764 0.040 -13.294 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.390 -0.201 -10.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.677 -1.780 -14.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.328 -1.857 -12.208 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -4.978 -2.648 -14.134 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.411 4.054 -11.129 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.886 4.229 -11.178 1.00 0.00 C ATOM 1431 C ASN A 93 -7.550 2.933 -11.710 1.00 0.00 C ATOM 1432 O ASN A 93 -6.924 2.150 -12.394 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.092 5.371 -12.146 1.00 0.00 C ATOM 1434 CG ASN A 93 -6.209 6.561 -11.747 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -5.103 6.694 -12.232 1.00 0.00 O ATOM 1436 ND2 ASN A 93 -6.648 7.438 -10.879 1.00 0.00 N ATOM 0 H ASN A 93 -4.881 4.523 -11.863 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.325 4.432 -10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.848 5.049 -13.158 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.140 5.670 -12.151 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.062 8.229 -10.612 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.576 7.330 -10.470 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.799 2.691 -11.385 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.493 1.457 -11.839 1.00 0.00 C ATOM 1445 C VAL A 94 -11.010 1.736 -11.897 1.00 0.00 C ATOM 1446 O VAL A 94 -11.489 2.777 -11.392 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.115 0.394 -10.782 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -10.353 -0.246 -10.133 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -8.284 -0.700 -11.449 1.00 0.00 C ATOM 0 H VAL A 94 -9.371 3.312 -10.813 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.209 1.119 -12.835 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.547 0.894 -9.998 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.037 -0.986 -9.398 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.945 0.525 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.956 -0.732 -10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.014 -1.454 -10.709 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.866 -1.165 -12.245 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.378 -0.263 -11.870 1.00 0.00 H new ATOM 1459 N PRO A 95 -11.745 0.804 -12.478 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.187 0.974 -12.634 1.00 0.00 C ATOM 1461 C PRO A 95 -13.779 1.637 -11.429 1.00 0.00 C ATOM 1462 O PRO A 95 -13.193 1.675 -10.360 1.00 0.00 O ATOM 1463 CB PRO A 95 -13.683 -0.446 -12.903 1.00 0.00 C ATOM 1464 CG PRO A 95 -12.550 -1.291 -12.452 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.374 -0.517 -12.961 1.00 0.00 C ATOM 0 HA PRO A 95 -13.482 1.639 -13.445 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.595 -0.666 -12.348 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.906 -0.602 -13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.529 -1.403 -11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.594 -2.295 -12.875 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.428 -0.867 -12.547 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.281 -0.558 -14.046 1.00 0.00 H new ATOM 1473 N LYS A 96 -14.872 2.285 -11.604 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.360 3.042 -10.481 1.00 0.00 C ATOM 1475 C LYS A 96 -16.117 2.258 -9.421 1.00 0.00 C ATOM 1476 O LYS A 96 -16.192 2.655 -8.276 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.178 4.089 -11.049 1.00 0.00 C ATOM 1478 CG LYS A 96 -15.143 5.097 -11.469 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.374 4.558 -12.663 1.00 0.00 C ATOM 1480 CE LYS A 96 -13.945 5.708 -13.575 1.00 0.00 C ATOM 1481 NZ LYS A 96 -12.625 5.290 -14.125 1.00 0.00 N ATOM 0 H LYS A 96 -15.429 2.317 -12.458 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.504 3.416 -9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.768 3.733 -11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.878 4.501 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.622 6.042 -11.727 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.461 5.300 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.497 4.008 -12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.995 3.856 -13.218 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.671 5.872 -14.372 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.864 6.643 -13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.264 6.029 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.953 5.148 -13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.735 4.401 -14.654 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.724 1.187 -9.803 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.537 0.415 -8.830 1.00 0.00 C ATOM 1497 C ILE A 97 -17.434 -1.107 -9.003 1.00 0.00 C ATOM 1498 O ILE A 97 -18.414 -1.818 -8.898 1.00 0.00 O ATOM 1499 CB ILE A 97 -18.933 0.912 -9.042 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.479 1.038 -7.684 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -19.785 0.017 -9.959 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -20.994 0.834 -7.628 1.00 0.00 C ATOM 0 H ILE A 97 -16.697 0.806 -10.749 1.00 0.00 H new ATOM 0 HA ILE A 97 -17.181 0.571 -7.812 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.941 1.860 -9.580 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.995 0.308 -7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.236 2.025 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.782 0.446 -10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.316 -0.050 -10.941 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -19.862 -0.980 -9.525 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -21.338 0.939 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.485 1.580 -8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.241 -0.163 -7.993 1.00 0.00 H new ATOM 1514 N ALA A 98 -16.263 -1.628 -9.241 1.00 0.00 N ATOM 1515 CA ALA A 98 -16.145 -3.106 -9.394 1.00 0.00 C ATOM 1516 C ALA A 98 -16.552 -3.792 -8.084 1.00 0.00 C ATOM 1517 O ALA A 98 -17.451 -4.610 -8.071 1.00 0.00 O ATOM 1518 CB ALA A 98 -14.675 -3.387 -9.725 1.00 0.00 C ATOM 0 H ALA A 98 -15.393 -1.104 -9.335 1.00 0.00 H new ATOM 0 HA ALA A 98 -16.797 -3.489 -10.180 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.529 -4.460 -9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.406 -2.875 -10.649 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.044 -3.026 -8.913 1.00 0.00 H new ATOM 1524 N PRO A 99 -15.880 -3.428 -7.020 1.00 0.00 N ATOM 1525 CA PRO A 99 -16.181 -4.007 -5.691 1.00 0.00 C ATOM 1526 C PRO A 99 -17.376 -3.387 -5.119 1.00 0.00 C ATOM 1527 O PRO A 99 -17.948 -2.441 -5.623 1.00 0.00 O ATOM 1528 CB PRO A 99 -14.919 -3.749 -4.877 1.00 0.00 C ATOM 1529 CG PRO A 99 -14.296 -2.543 -5.513 1.00 0.00 C ATOM 1530 CD PRO A 99 -14.779 -2.461 -6.947 1.00 0.00 C ATOM 0 HA PRO A 99 -16.413 -5.072 -5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.154 -3.567 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -14.246 -4.606 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.571 -1.641 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.209 -2.616 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -15.117 -1.455 -7.195 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.983 -2.712 -7.649 1.00 0.00 H new ATOM 1538 N LYS A 100 -17.867 -4.080 -4.165 1.00 0.00 N ATOM 1539 CA LYS A 100 -19.159 -3.728 -3.647 1.00 0.00 C ATOM 1540 C LYS A 100 -19.020 -3.087 -2.274 1.00 0.00 C ATOM 1541 O LYS A 100 -18.619 -3.745 -1.338 1.00 0.00 O ATOM 1542 CB LYS A 100 -19.898 -5.071 -3.601 1.00 0.00 C ATOM 1543 CG LYS A 100 -19.323 -6.062 -4.615 1.00 0.00 C ATOM 1544 CD LYS A 100 -19.112 -5.338 -5.940 1.00 0.00 C ATOM 1545 CE LYS A 100 -20.258 -5.742 -6.822 1.00 0.00 C ATOM 1546 NZ LYS A 100 -19.730 -5.728 -8.215 1.00 0.00 N ATOM 0 H LYS A 100 -17.416 -4.882 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.694 -2.993 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.827 -5.492 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.957 -4.912 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.379 -6.469 -4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -20.003 -6.904 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.094 -4.258 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.158 -5.616 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.626 -6.733 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -21.095 -5.052 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.491 -5.461 -8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.954 -5.039 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.376 -6.674 -8.461 1.00 0.00 H new ATOM 1560 N SER A 101 -19.318 -1.818 -2.131 1.00 0.00 N ATOM 1561 CA SER A 101 -19.153 -1.204 -0.760 1.00 0.00 C ATOM 1562 C SER A 101 -19.736 -2.127 0.272 1.00 0.00 C ATOM 1563 O SER A 101 -20.919 -2.167 0.547 1.00 0.00 O ATOM 1564 CB SER A 101 -19.838 0.158 -0.738 1.00 0.00 C ATOM 1565 OG SER A 101 -21.038 0.105 -1.499 1.00 0.00 O ATOM 0 H SER A 101 -19.655 -1.196 -2.866 1.00 0.00 H new ATOM 0 HA SER A 101 -18.097 -1.062 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.060 0.447 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.171 0.918 -1.146 1.00 0.00 H new ATOM 0 HG SER A 101 -21.592 0.887 -1.292 1.00 0.00 H new ATOM 1571 N GLU A 102 -18.851 -2.860 0.840 1.00 0.00 N ATOM 1572 CA GLU A 102 -19.221 -3.840 1.907 1.00 0.00 C ATOM 1573 C GLU A 102 -18.058 -4.265 2.657 1.00 0.00 C ATOM 1574 O GLU A 102 -18.093 -4.532 3.842 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.557 -5.215 1.290 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.796 -5.119 0.398 1.00 0.00 C ATOM 1577 CD GLU A 102 -21.232 -6.523 -0.028 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -21.843 -7.203 0.781 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -20.948 -6.895 -1.154 1.00 0.00 O ATOM 0 H GLU A 102 -17.856 -2.833 0.616 1.00 0.00 H new ATOM 0 HA GLU A 102 -20.009 -3.340 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.709 -5.574 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.729 -5.943 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.605 -4.623 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.578 -4.513 -0.481 1.00 0.00 H new ATOM 1586 N ASN A 103 -17.129 -4.677 1.870 1.00 0.00 N ATOM 1587 CA ASN A 103 -16.122 -5.468 2.486 1.00 0.00 C ATOM 1588 C ASN A 103 -14.836 -5.545 1.698 1.00 0.00 C ATOM 1589 O ASN A 103 -14.553 -6.519 1.044 1.00 0.00 O ATOM 1590 CB ASN A 103 -16.959 -6.724 2.393 1.00 0.00 C ATOM 1591 CG ASN A 103 -16.174 -7.933 2.904 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -15.020 -7.758 3.507 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -16.613 -9.056 2.755 1.00 0.00 N flip ATOM 0 H ASN A 103 -17.042 -4.498 0.870 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.731 -5.158 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -17.872 -6.603 2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.261 -6.890 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.509 -9.196 2.287 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.086 -9.859 3.098 1.00 0.00 H new ATOM 1600 N VAL A 104 -14.047 -4.548 1.794 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.748 -4.577 1.065 1.00 0.00 C ATOM 1602 C VAL A 104 -11.631 -3.868 1.859 1.00 0.00 C ATOM 1603 O VAL A 104 -11.846 -2.853 2.489 1.00 0.00 O ATOM 1604 CB VAL A 104 -12.988 -3.883 -0.262 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.767 -4.024 -1.165 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -14.270 -4.377 -0.969 1.00 0.00 C ATOM 0 H VAL A 104 -14.227 -3.706 2.340 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.412 -5.604 0.924 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.145 -2.825 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.956 -3.521 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.902 -3.572 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.570 -5.080 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.392 -3.847 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.190 -5.447 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.133 -4.186 -0.332 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.435 -4.416 1.824 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.275 -3.825 2.553 1.00 0.00 C ATOM 1618 C VAL A 105 -7.991 -4.243 1.840 1.00 0.00 C ATOM 1619 O VAL A 105 -7.836 -5.366 1.411 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.364 -4.424 3.959 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -7.988 -4.424 4.614 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -10.322 -3.590 4.812 1.00 0.00 C ATOM 0 H VAL A 105 -10.216 -5.268 1.307 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.280 -2.736 2.591 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.730 -5.448 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.061 -4.852 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.299 -5.019 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.618 -3.401 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.384 -4.018 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.954 -2.566 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.311 -3.591 4.355 1.00 0.00 H new ATOM 1632 N VAL A 106 -7.084 -3.326 1.695 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.808 -3.632 0.978 1.00 0.00 C ATOM 1634 C VAL A 106 -4.631 -3.773 1.917 1.00 0.00 C ATOM 1635 O VAL A 106 -4.524 -3.122 2.934 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.624 -2.469 0.004 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -4.613 -1.438 0.541 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -5.135 -3.038 -1.330 1.00 0.00 C ATOM 0 H VAL A 106 -7.166 -2.370 2.042 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.858 -4.594 0.468 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.576 -1.953 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.507 -0.625 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.970 -1.039 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.646 -1.920 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.996 -2.225 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.187 -3.555 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.873 -3.740 -1.719 1.00 0.00 H new ATOM 1648 N THR A 107 -3.739 -4.606 1.521 1.00 0.00 N ATOM 1649 CA THR A 107 -2.488 -4.852 2.286 1.00 0.00 C ATOM 1650 C THR A 107 -1.344 -4.781 1.284 1.00 0.00 C ATOM 1651 O THR A 107 -1.327 -5.522 0.313 1.00 0.00 O ATOM 1652 CB THR A 107 -2.616 -6.236 2.838 1.00 0.00 C ATOM 1653 OG1 THR A 107 -3.988 -6.567 3.007 1.00 0.00 O ATOM 1654 CG2 THR A 107 -1.885 -6.272 4.184 1.00 0.00 C ATOM 0 H THR A 107 -3.819 -5.154 0.665 1.00 0.00 H new ATOM 0 HA THR A 107 -2.312 -4.138 3.090 1.00 0.00 H new ATOM 0 HB THR A 107 -2.178 -6.964 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.063 -7.475 3.367 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.961 -7.271 4.613 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.835 -6.020 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.338 -5.550 4.864 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.417 -3.880 1.436 1.00 0.00 N ATOM 1663 CA VAL A 108 0.661 -3.794 0.415 1.00 0.00 C ATOM 1664 C VAL A 108 2.005 -3.722 1.138 1.00 0.00 C ATOM 1665 O VAL A 108 2.158 -3.080 2.145 1.00 0.00 O ATOM 1666 CB VAL A 108 0.324 -2.526 -0.406 1.00 0.00 C ATOM 1667 CG1 VAL A 108 1.062 -2.484 -1.747 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -1.204 -2.425 -0.621 1.00 0.00 C ATOM 0 H VAL A 108 -0.358 -3.213 2.205 1.00 0.00 H new ATOM 0 HA VAL A 108 0.728 -4.653 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 108 0.666 -1.665 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.791 -1.575 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.138 -2.494 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.784 -3.353 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.432 -1.530 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.554 -3.305 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.705 -2.369 0.346 1.00 0.00 H new ATOM 1678 N LYS A 109 2.964 -4.425 0.618 1.00 0.00 N ATOM 1679 CA LYS A 109 4.313 -4.465 1.266 1.00 0.00 C ATOM 1680 C LYS A 109 5.432 -4.317 0.240 1.00 0.00 C ATOM 1681 O LYS A 109 5.345 -4.761 -0.886 1.00 0.00 O ATOM 1682 CB LYS A 109 4.385 -5.808 1.956 1.00 0.00 C ATOM 1683 CG LYS A 109 5.775 -6.275 2.063 1.00 0.00 C ATOM 1684 CD LYS A 109 6.121 -7.200 0.898 1.00 0.00 C ATOM 1685 CE LYS A 109 6.781 -8.462 1.449 1.00 0.00 C ATOM 1686 NZ LYS A 109 6.457 -9.529 0.462 1.00 0.00 N ATOM 0 H LYS A 109 2.879 -4.980 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 109 4.442 -3.640 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.946 -5.733 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.795 -6.537 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.452 -5.421 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.916 -6.801 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.220 -7.458 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.792 -6.696 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.858 -8.332 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.396 -8.709 2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.877 -10.428 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.425 -9.635 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.842 -9.270 -0.469 1.00 0.00 H new ATOM 1700 N VAL A 110 6.493 -3.730 0.665 1.00 0.00 N ATOM 1701 CA VAL A 110 7.684 -3.552 -0.186 1.00 0.00 C ATOM 1702 C VAL A 110 8.667 -4.687 0.166 1.00 0.00 C ATOM 1703 O VAL A 110 8.966 -4.903 1.341 1.00 0.00 O ATOM 1704 CB VAL A 110 8.256 -2.189 0.201 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.756 -2.087 -0.134 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.503 -1.102 -0.553 1.00 0.00 C ATOM 0 H VAL A 110 6.591 -3.349 1.606 1.00 0.00 H new ATOM 0 HA VAL A 110 7.478 -3.588 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 110 8.139 -2.065 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.127 -1.104 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.304 -2.856 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.900 -2.228 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.905 -0.126 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.618 -1.257 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.446 -1.144 -0.292 1.00 0.00 H new ATOM 1716 N MET A 111 9.170 -5.394 -0.842 1.00 0.00 N ATOM 1717 CA MET A 111 10.149 -6.519 -0.620 1.00 0.00 C ATOM 1718 C MET A 111 11.500 -6.029 -1.091 1.00 0.00 C ATOM 1719 O MET A 111 11.667 -5.627 -2.227 1.00 0.00 O ATOM 1720 CB MET A 111 9.599 -7.685 -1.462 1.00 0.00 C ATOM 1721 CG MET A 111 10.683 -8.333 -2.344 1.00 0.00 C ATOM 1722 SD MET A 111 10.335 -10.104 -2.508 1.00 0.00 S ATOM 1723 CE MET A 111 11.745 -10.522 -3.560 1.00 0.00 C ATOM 0 H MET A 111 8.935 -5.231 -1.821 1.00 0.00 H new ATOM 0 HA MET A 111 10.265 -6.841 0.415 1.00 0.00 H new ATOM 0 HB2 MET A 111 9.174 -8.439 -0.800 1.00 0.00 H new ATOM 0 HB3 MET A 111 8.788 -7.323 -2.094 1.00 0.00 H new ATOM 0 HG2 MET A 111 10.700 -7.861 -3.326 1.00 0.00 H new ATOM 0 HG3 MET A 111 11.667 -8.183 -1.901 1.00 0.00 H new ATOM 0 HE1 MET A 111 11.726 -11.588 -3.788 1.00 0.00 H new ATOM 0 HE2 MET A 111 11.689 -9.952 -4.487 1.00 0.00 H new ATOM 0 HE3 MET A 111 12.672 -10.279 -3.040 1.00 0.00 H new ATOM 1733 N GLY A 112 12.432 -5.965 -0.211 1.00 0.00 N ATOM 1734 CA GLY A 112 13.757 -5.380 -0.592 1.00 0.00 C ATOM 1735 C GLY A 112 14.683 -6.328 -1.384 1.00 0.00 C ATOM 1736 O GLY A 112 14.285 -7.004 -2.312 1.00 0.00 O ATOM 0 H GLY A 112 12.353 -6.285 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.584 -4.483 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.273 -5.066 0.315 1.00 0.00 H new ATOM 1740 N ASP A 113 15.945 -6.298 -1.025 1.00 0.00 N ATOM 1741 CA ASP A 113 17.022 -7.085 -1.711 1.00 0.00 C ATOM 1742 C ASP A 113 17.062 -8.521 -1.253 1.00 0.00 C ATOM 1743 O ASP A 113 17.811 -9.339 -1.748 1.00 0.00 O ATOM 1744 CB ASP A 113 18.301 -6.361 -1.310 1.00 0.00 C ATOM 1745 CG ASP A 113 18.655 -6.691 0.141 1.00 0.00 C ATOM 1746 OD1 ASP A 113 17.762 -6.658 0.971 1.00 0.00 O ATOM 1747 OD2 ASP A 113 19.815 -6.972 0.399 1.00 0.00 O ATOM 0 H ASP A 113 16.287 -5.733 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 113 16.866 -7.135 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 113 19.118 -6.656 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.171 -5.285 -1.426 1.00 0.00 H new ATOM 1752 N ASP A 114 16.249 -8.818 -0.328 1.00 0.00 N ATOM 1753 CA ASP A 114 16.180 -10.176 0.189 1.00 0.00 C ATOM 1754 C ASP A 114 14.731 -10.641 0.294 1.00 0.00 C ATOM 1755 O ASP A 114 14.453 -11.782 0.602 1.00 0.00 O ATOM 1756 CB ASP A 114 16.877 -10.170 1.539 1.00 0.00 C ATOM 1757 CG ASP A 114 16.433 -8.952 2.347 1.00 0.00 C ATOM 1758 OD1 ASP A 114 15.239 -8.803 2.548 1.00 0.00 O ATOM 1759 OD2 ASP A 114 17.294 -8.187 2.751 1.00 0.00 O ATOM 0 H ASP A 114 15.606 -8.158 0.110 1.00 0.00 H new ATOM 0 HA ASP A 114 16.674 -10.880 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.642 -11.084 2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.958 -10.151 1.400 1.00 0.00 H new ATOM 1764 N GLY A 115 13.807 -9.770 0.014 1.00 0.00 N ATOM 1765 CA GLY A 115 12.396 -10.132 0.060 1.00 0.00 C ATOM 1766 C GLY A 115 11.834 -9.837 1.387 1.00 0.00 C ATOM 1767 O GLY A 115 11.708 -10.647 2.281 1.00 0.00 O ATOM 0 H GLY A 115 13.991 -8.802 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.848 -9.582 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.278 -11.192 -0.164 1.00 0.00 H new ATOM 1771 N VAL A 116 11.469 -8.642 1.401 1.00 0.00 N ATOM 1772 CA VAL A 116 10.791 -7.963 2.560 1.00 0.00 C ATOM 1773 C VAL A 116 11.339 -6.555 2.794 1.00 0.00 C ATOM 1774 O VAL A 116 12.494 -6.274 2.547 1.00 0.00 O ATOM 1775 CB VAL A 116 11.013 -8.805 3.806 1.00 0.00 C ATOM 1776 CG1 VAL A 116 12.513 -8.955 4.054 1.00 0.00 C ATOM 1777 CG2 VAL A 116 10.354 -8.088 4.982 1.00 0.00 C ATOM 0 H VAL A 116 11.608 -8.021 0.604 1.00 0.00 H new ATOM 0 HA VAL A 116 9.729 -7.869 2.335 1.00 0.00 H new ATOM 0 HB VAL A 116 10.579 -9.798 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.676 -9.558 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.976 -9.443 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.959 -7.970 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 116 10.498 -8.672 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.805 -7.104 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.287 -7.976 4.788 1.00 0.00 H new ATOM 1787 N LEU A 117 10.508 -5.667 3.280 1.00 0.00 N ATOM 1788 CA LEU A 117 10.963 -4.273 3.546 1.00 0.00 C ATOM 1789 C LEU A 117 10.009 -3.567 4.504 1.00 0.00 C ATOM 1790 O LEU A 117 10.393 -3.140 5.574 1.00 0.00 O ATOM 1791 CB LEU A 117 10.999 -3.600 2.189 1.00 0.00 C ATOM 1792 CG LEU A 117 12.065 -2.500 2.186 1.00 0.00 C ATOM 1793 CD1 LEU A 117 11.745 -1.461 3.263 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.436 -3.117 2.470 1.00 0.00 C ATOM 0 H LEU A 117 9.530 -5.851 3.504 1.00 0.00 H new ATOM 0 HA LEU A 117 11.941 -4.242 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.218 -4.334 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.023 -3.174 1.958 1.00 0.00 H new ATOM 0 HG LEU A 117 12.075 -2.015 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.507 -0.682 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.770 -1.017 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.729 -1.943 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.195 -2.334 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.421 -3.605 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.671 -3.852 1.700 1.00 0.00 H new ATOM 1806 N ALA A 118 8.771 -3.443 4.138 1.00 0.00 N ATOM 1807 CA ALA A 118 7.790 -2.755 5.062 1.00 0.00 C ATOM 1808 C ALA A 118 6.387 -2.950 4.542 1.00 0.00 C ATOM 1809 O ALA A 118 6.128 -2.805 3.380 1.00 0.00 O ATOM 1810 CB ALA A 118 8.183 -1.276 5.048 1.00 0.00 C ATOM 0 H ALA A 118 8.383 -3.777 3.256 1.00 0.00 H new ATOM 0 HA ALA A 118 7.816 -3.157 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.512 -0.715 5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.208 -1.168 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.110 -0.890 4.031 1.00 0.00 H new ATOM 1816 N CYS A 119 5.476 -3.290 5.375 1.00 0.00 N ATOM 1817 CA CYS A 119 4.095 -3.525 4.838 1.00 0.00 C ATOM 1818 C CYS A 119 3.007 -2.866 5.650 1.00 0.00 C ATOM 1819 O CYS A 119 3.017 -2.841 6.865 1.00 0.00 O ATOM 1820 CB CYS A 119 3.909 -5.038 4.788 1.00 0.00 C ATOM 1821 SG CYS A 119 3.216 -5.667 6.317 1.00 0.00 S ATOM 0 H CYS A 119 5.599 -3.418 6.379 1.00 0.00 H new ATOM 0 HA CYS A 119 4.006 -3.069 3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.254 -5.298 3.957 1.00 0.00 H new ATOM 0 HB3 CYS A 119 4.869 -5.517 4.598 1.00 0.00 H new ATOM 1826 N ALA A 120 2.061 -2.332 4.946 1.00 0.00 N ATOM 1827 CA ALA A 120 0.924 -1.653 5.615 1.00 0.00 C ATOM 1828 C ALA A 120 -0.388 -1.904 4.879 1.00 0.00 C ATOM 1829 O ALA A 120 -0.501 -1.809 3.662 1.00 0.00 O ATOM 1830 CB ALA A 120 1.277 -0.159 5.607 1.00 0.00 C ATOM 0 H ALA A 120 2.024 -2.335 3.927 1.00 0.00 H new ATOM 0 HA ALA A 120 0.777 -2.031 6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.478 0.406 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.209 -0.002 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.395 0.182 4.578 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.363 -2.274 5.643 1.00 0.00 N ATOM 1837 CA ILE A 121 -2.708 -2.583 5.132 1.00 0.00 C ATOM 1838 C ILE A 121 -3.708 -1.487 5.541 1.00 0.00 C ATOM 1839 O ILE A 121 -3.774 -1.099 6.690 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.001 -3.884 5.805 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.123 -4.548 5.218 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.211 -3.722 7.292 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.423 -3.814 5.525 1.00 0.00 C ATOM 0 H ILE A 121 -1.273 -2.379 6.654 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.778 -2.635 4.045 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.119 -4.507 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.986 -4.613 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.182 -5.569 5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.421 -4.694 7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.312 -3.303 7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.052 -3.052 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.257 -4.344 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.571 -3.772 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.372 -2.801 5.126 1.00 0.00 H new ATOM 1855 N ALA A 122 -4.488 -0.983 4.616 1.00 0.00 N ATOM 1856 CA ALA A 122 -5.473 0.076 4.958 1.00 0.00 C ATOM 1857 C ALA A 122 -6.848 -0.307 4.361 1.00 0.00 C ATOM 1858 O ALA A 122 -6.998 -1.373 3.789 1.00 0.00 O ATOM 1859 CB ALA A 122 -4.917 1.327 4.277 1.00 0.00 C ATOM 0 H ALA A 122 -4.481 -1.265 3.636 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.612 0.219 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.578 2.171 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.924 1.545 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -4.851 1.157 3.202 1.00 0.00 H new ATOM 1865 N THR A 123 -7.851 0.542 4.459 1.00 0.00 N ATOM 1866 CA THR A 123 -9.170 0.186 3.869 1.00 0.00 C ATOM 1867 C THR A 123 -9.254 0.676 2.421 1.00 0.00 C ATOM 1868 O THR A 123 -9.321 -0.122 1.512 1.00 0.00 O ATOM 1869 CB THR A 123 -10.187 0.882 4.729 1.00 0.00 C ATOM 1870 OG1 THR A 123 -9.753 2.197 5.048 1.00 0.00 O ATOM 1871 CG2 THR A 123 -10.364 0.056 5.993 1.00 0.00 C ATOM 0 H THR A 123 -7.807 1.452 4.917 1.00 0.00 H new ATOM 0 HA THR A 123 -9.333 -0.891 3.845 1.00 0.00 H new ATOM 0 HB THR A 123 -11.135 0.971 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 123 -10.427 2.637 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 123 -11.098 0.535 6.641 1.00 0.00 H new ATOM 0 HG22 THR A 123 -10.710 -0.943 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 123 -9.411 -0.017 6.516 1.00 0.00 H new ATOM 1879 N HIS A 124 -9.245 1.990 2.238 1.00 0.00 N ATOM 1880 CA HIS A 124 -9.325 2.655 0.869 1.00 0.00 C ATOM 1881 C HIS A 124 -10.356 3.773 0.892 1.00 0.00 C ATOM 1882 O HIS A 124 -10.041 4.929 1.087 1.00 0.00 O ATOM 1883 CB HIS A 124 -9.734 1.639 -0.170 1.00 0.00 C ATOM 1884 CG HIS A 124 -8.537 0.865 -0.646 1.00 0.00 C ATOM 1885 ND1 HIS A 124 -8.622 -0.070 -1.665 1.00 0.00 N ATOM 1886 CD2 HIS A 124 -7.217 0.896 -0.273 1.00 0.00 C ATOM 1887 CE1 HIS A 124 -7.385 -0.558 -1.871 1.00 0.00 C ATOM 1888 NE2 HIS A 124 -6.492 -0.002 -1.049 1.00 0.00 N ATOM 0 H HIS A 124 -9.183 2.655 3.009 1.00 0.00 H new ATOM 0 HA HIS A 124 -8.345 3.064 0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -10.472 0.956 0.251 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -10.208 2.142 -1.013 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -9.468 -0.339 -2.167 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.804 1.522 0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -7.144 -1.307 -2.610 1.00 0.00 H new ATOM 1896 N ALA A 125 -11.591 3.424 0.683 1.00 0.00 N ATOM 1897 CA ALA A 125 -12.676 4.441 0.676 1.00 0.00 C ATOM 1898 C ALA A 125 -14.024 3.742 0.716 1.00 0.00 C ATOM 1899 O ALA A 125 -14.117 2.538 0.578 1.00 0.00 O ATOM 1900 CB ALA A 125 -12.504 5.193 -0.646 1.00 0.00 C ATOM 0 H ALA A 125 -11.899 2.466 0.515 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.629 5.113 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -13.270 5.964 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -11.518 5.656 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -12.602 4.495 -1.477 1.00 0.00 H new ATOM 1906 N LYS A 126 -15.069 4.485 0.881 1.00 0.00 N ATOM 1907 CA LYS A 126 -16.408 3.866 0.903 1.00 0.00 C ATOM 1908 C LYS A 126 -17.110 4.257 -0.388 1.00 0.00 C ATOM 1909 O LYS A 126 -16.525 4.888 -1.247 1.00 0.00 O ATOM 1910 CB LYS A 126 -17.119 4.466 2.116 1.00 0.00 C ATOM 1911 CG LYS A 126 -16.292 4.202 3.376 1.00 0.00 C ATOM 1912 CD LYS A 126 -17.229 4.006 4.569 1.00 0.00 C ATOM 1913 CE LYS A 126 -17.246 2.529 4.970 1.00 0.00 C ATOM 1914 NZ LYS A 126 -17.621 2.526 6.411 1.00 0.00 N ATOM 0 H LYS A 126 -15.054 5.498 1.002 1.00 0.00 H new ATOM 0 HA LYS A 126 -16.389 2.779 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -17.256 5.538 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -18.112 4.029 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -15.672 3.316 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -15.618 5.038 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -16.898 4.618 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -18.236 4.335 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -17.964 1.966 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -16.271 2.066 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -17.654 1.547 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -16.916 3.063 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -18.556 2.966 6.527 1.00 0.00 H new ATOM 1928 N ILE A 127 -18.328 3.874 -0.567 1.00 0.00 N ATOM 1929 CA ILE A 127 -19.000 4.217 -1.840 1.00 0.00 C ATOM 1930 C ILE A 127 -20.518 4.313 -1.708 1.00 0.00 C ATOM 1931 O ILE A 127 -21.181 3.437 -1.191 1.00 0.00 O ATOM 1932 CB ILE A 127 -18.545 3.126 -2.760 1.00 0.00 C ATOM 1933 CG1 ILE A 127 -18.080 3.840 -3.974 1.00 0.00 C ATOM 1934 CG2 ILE A 127 -19.643 2.103 -3.090 1.00 0.00 C ATOM 1935 CD1 ILE A 127 -17.872 2.870 -5.133 1.00 0.00 C ATOM 0 H ILE A 127 -18.887 3.344 0.102 1.00 0.00 H new ATOM 0 HA ILE A 127 -18.739 5.209 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 127 -17.764 2.523 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -18.810 4.598 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -17.147 4.361 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -19.242 1.343 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -19.988 1.630 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -20.478 2.609 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -17.531 3.419 -6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -17.123 2.128 -4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -18.813 2.369 -5.361 1.00 0.00 H new ATOM 1947 N ARG A 128 -21.059 5.389 -2.195 1.00 0.00 N ATOM 1948 CA ARG A 128 -22.529 5.595 -2.146 1.00 0.00 C ATOM 1949 C ARG A 128 -22.933 6.796 -3.004 1.00 0.00 C ATOM 1950 O ARG A 128 -22.161 7.716 -3.179 1.00 0.00 O ATOM 1951 CB ARG A 128 -22.911 5.803 -0.738 1.00 0.00 C ATOM 1952 CG ARG A 128 -24.289 5.202 -0.687 1.00 0.00 C ATOM 1953 CD ARG A 128 -24.183 3.697 -0.505 1.00 0.00 C ATOM 1954 NE ARG A 128 -24.846 3.413 0.797 1.00 0.00 N ATOM 1955 CZ ARG A 128 -26.092 3.027 0.823 1.00 0.00 C ATOM 1956 NH1 ARG A 128 -26.384 1.758 0.757 1.00 0.00 N ATOM 1957 NH2 ARG A 128 -27.048 3.912 0.913 1.00 0.00 N ATOM 0 H ARG A 128 -20.536 6.148 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 128 -23.046 4.723 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -22.225 5.305 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -22.918 6.860 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -24.857 5.639 0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -24.830 5.430 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -24.674 3.166 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -23.142 3.374 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 128 -24.327 3.520 1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -25.638 1.066 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -27.358 1.457 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -26.821 4.905 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -28.022 3.610 0.933 1.00 0.00 H new ATOM 1971 N ASP A 129 -24.132 6.806 -3.536 1.00 0.00 N ATOM 1972 CA ASP A 129 -24.572 7.956 -4.377 1.00 0.00 C ATOM 1973 C ASP A 129 -23.418 8.462 -5.247 1.00 0.00 C ATOM 1974 O ASP A 129 -23.004 7.729 -6.130 1.00 0.00 O ATOM 1975 CB ASP A 129 -25.010 9.033 -3.380 1.00 0.00 C ATOM 1976 CG ASP A 129 -25.766 8.392 -2.214 1.00 0.00 C ATOM 1977 OD1 ASP A 129 -26.944 8.119 -2.376 1.00 0.00 O ATOM 1978 OD2 ASP A 129 -25.155 8.187 -1.178 1.00 0.00 O ATOM 1979 OXT ASP A 129 -22.964 9.569 -5.010 1.00 0.00 O ATOM 0 H ASP A 129 -24.823 6.065 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 129 -25.376 7.679 -5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -24.138 9.571 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -25.646 9.764 -3.878 1.00 0.00 H new TER 1984 ASP A 129