USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 733 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 46 LYS NZ :NH3+ -152:sc= 0.922 (180deg=0.0438) USER MOD Set 1.2: A 50 SER OG : rot 51:sc= 2.06 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 179:sc= 2.28 (180deg=1) USER MOD Set 2.2: A 35 HIS : no HE2:sc= 0.689 K(o=3,f=-10!) USER MOD Set 3.1: A 21 TYR OH : rot 150:sc= 0.877 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 157:sc= 1.02 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= 0.284! (180deg=-4.81!) USER MOD Single : A 29 GLN : amide:sc= 0.275 K(o=0.27,f=-0.43) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -131:sc= 1.14 USER MOD Single : A 37 LYS NZ :NH3+ -126:sc= 1.28 (180deg=-0.698) USER MOD Single : A 40 MET CE :methyl 160:sc= -0.0371 (180deg=-0.405) USER MOD Single : A 41 THR OG1 : rot 104:sc= 0.358 USER MOD Single : A 42 THR OG1 : rot -68:sc= 1.3 USER MOD Single : A 43 HIS : no HD1:sc= -0.0801 X(o=-0.08,f=-0.033) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.06) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 2.11 (180deg=2.09) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 62:sc= 1.25 USER MOD Single : A 53 GLN : amide:sc= -0.444 K(o=-0.44,f=-3.1!) USER MOD Single : A 55 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.43) USER MOD Single : A 59 MET CE :methyl -129:sc= 0 (180deg=-0.478) USER MOD Single : A 60 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.92) USER MOD Single : A 61 SER OG : rot -75:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 74 ASN : amide:sc= 0.0593 K(o=0.059,f=-1.3) USER MOD Single : A 75 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.6) USER MOD Single : A 76 THR OG1 : rot -47:sc= 0.394 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -157:sc= -0.224 (180deg=-0.889) USER MOD Single : A 91 TYR OH : rot 159:sc= 1.26 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0908 F(o=-1.3!,f=-0.091) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : B 1 LYS N :NH3+ 141:sc= 0.0126 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0405) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot 86:sc= 1.24 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 -0.064 -7.508 7.797 1.00 2.10 N ATOM 2 CA TYR A 21 0.411 -7.677 6.407 1.00 1.86 C ATOM 3 C TYR A 21 1.858 -7.228 6.294 1.00 1.78 C ATOM 4 O TYR A 21 2.391 -6.608 7.215 1.00 1.85 O ATOM 5 CB TYR A 21 -0.481 -6.902 5.432 1.00 1.79 C ATOM 6 CG TYR A 21 -1.743 -7.653 5.055 1.00 1.93 C ATOM 7 CD1 TYR A 21 -2.711 -7.952 6.007 1.00 2.36 C ATOM 8 CD2 TYR A 21 -1.959 -8.079 3.750 1.00 2.26 C ATOM 9 CE1 TYR A 21 -3.853 -8.655 5.674 1.00 2.52 C ATOM 10 CE2 TYR A 21 -3.101 -8.777 3.409 1.00 2.53 C ATOM 11 CZ TYR A 21 -4.042 -9.064 4.372 1.00 2.41 C ATOM 12 OH TYR A 21 -5.173 -9.770 4.029 1.00 2.72 O ATOM 0 HA TYR A 21 0.355 -8.733 6.143 1.00 1.86 H new ATOM 0 HB2 TYR A 21 -0.754 -5.946 5.880 1.00 1.79 H new ATOM 0 HB3 TYR A 21 0.086 -6.680 4.528 1.00 1.79 H new ATOM 0 HD1 TYR A 21 -2.568 -7.628 7.027 1.00 2.36 H new ATOM 0 HD2 TYR A 21 -1.223 -7.861 2.991 1.00 2.26 H new ATOM 0 HE1 TYR A 21 -4.592 -8.882 6.428 1.00 2.52 H new ATOM 0 HE2 TYR A 21 -3.255 -9.097 2.389 1.00 2.53 H new ATOM 0 HH TYR A 21 -5.405 -9.583 3.096 1.00 2.72 H new ATOM 22 N ILE A 22 2.485 -7.541 5.169 1.00 1.66 N ATOM 23 CA ILE A 22 3.883 -7.198 4.942 1.00 1.60 C ATOM 24 C ILE A 22 4.033 -5.738 4.536 1.00 1.48 C ATOM 25 O ILE A 22 3.192 -5.199 3.814 1.00 1.43 O ATOM 26 CB ILE A 22 4.509 -8.086 3.841 1.00 1.60 C ATOM 27 CG1 ILE A 22 4.080 -9.551 4.006 1.00 1.81 C ATOM 28 CG2 ILE A 22 6.029 -7.969 3.851 1.00 1.58 C ATOM 29 CD1 ILE A 22 4.524 -10.179 5.308 1.00 1.99 C ATOM 0 H ILE A 22 2.044 -8.036 4.393 1.00 1.66 H new ATOM 0 HA ILE A 22 4.405 -7.369 5.883 1.00 1.60 H new ATOM 0 HB ILE A 22 4.144 -7.732 2.877 1.00 1.60 H new ATOM 0 HG12 ILE A 22 2.994 -9.611 3.938 1.00 1.81 H new ATOM 0 HG13 ILE A 22 4.484 -10.133 3.177 1.00 1.81 H new ATOM 0 HG21 ILE A 22 6.448 -8.602 3.069 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.315 -6.933 3.672 1.00 1.58 H new ATOM 0 HG23 ILE A 22 6.412 -8.289 4.820 1.00 1.58 H new ATOM 0 HD11 ILE A 22 4.182 -11.213 5.348 1.00 1.99 H new ATOM 0 HD12 ILE A 22 5.612 -10.154 5.372 1.00 1.99 H new ATOM 0 HD13 ILE A 22 4.098 -9.623 6.144 1.00 1.99 H new ATOM 41 N LYS A 23 5.093 -5.099 5.016 1.00 1.47 N ATOM 42 CA LYS A 23 5.367 -3.710 4.686 1.00 1.39 C ATOM 43 C LYS A 23 6.731 -3.591 4.021 1.00 1.34 C ATOM 44 O LYS A 23 7.752 -3.954 4.607 1.00 1.48 O ATOM 45 CB LYS A 23 5.327 -2.824 5.937 1.00 1.51 C ATOM 46 CG LYS A 23 3.926 -2.515 6.441 1.00 1.98 C ATOM 47 CD LYS A 23 3.394 -3.608 7.358 1.00 2.61 C ATOM 48 CE LYS A 23 4.082 -3.600 8.716 1.00 3.07 C ATOM 49 NZ LYS A 23 5.357 -4.370 8.713 1.00 2.83 N ATOM 0 H LYS A 23 5.779 -5.526 5.639 1.00 1.47 H new ATOM 0 HA LYS A 23 4.593 -3.370 3.998 1.00 1.39 H new ATOM 0 HB2 LYS A 23 5.887 -3.315 6.733 1.00 1.51 H new ATOM 0 HB3 LYS A 23 5.837 -1.886 5.720 1.00 1.51 H new ATOM 0 HG2 LYS A 23 3.935 -1.566 6.976 1.00 1.98 H new ATOM 0 HG3 LYS A 23 3.254 -2.396 5.592 1.00 1.98 H new ATOM 0 HD2 LYS A 23 2.321 -3.475 7.495 1.00 2.61 H new ATOM 0 HD3 LYS A 23 3.537 -4.579 6.885 1.00 2.61 H new ATOM 0 HE2 LYS A 23 4.284 -2.570 9.012 1.00 3.07 H new ATOM 0 HE3 LYS A 23 3.409 -4.020 9.463 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 5.433 -4.919 9.593 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 5.370 -5.017 7.899 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 6.160 -3.712 8.645 1.00 2.83 H new ATOM 63 N LEU A 24 6.741 -3.106 2.793 1.00 1.21 N ATOM 64 CA LEU A 24 7.982 -2.928 2.054 1.00 1.21 C ATOM 65 C LEU A 24 8.372 -1.459 2.039 1.00 1.21 C ATOM 66 O LEU A 24 7.509 -0.584 1.988 1.00 1.15 O ATOM 67 CB LEU A 24 7.840 -3.446 0.621 1.00 1.15 C ATOM 68 CG LEU A 24 7.521 -4.939 0.493 1.00 1.18 C ATOM 69 CD1 LEU A 24 7.415 -5.335 -0.971 1.00 1.15 C ATOM 70 CD2 LEU A 24 8.574 -5.780 1.199 1.00 1.36 C ATOM 0 H LEU A 24 5.903 -2.827 2.283 1.00 1.21 H new ATOM 0 HA LEU A 24 8.764 -3.502 2.552 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.053 -2.879 0.124 1.00 1.15 H new ATOM 0 HB3 LEU A 24 8.767 -3.242 0.085 1.00 1.15 H new ATOM 0 HG LEU A 24 6.560 -5.125 0.973 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.188 -6.399 -1.045 1.00 1.15 H new ATOM 0 HD12 LEU A 24 6.620 -4.761 -1.447 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.361 -5.130 -1.473 1.00 1.15 H new ATOM 0 HD21 LEU A 24 8.326 -6.836 1.094 1.00 1.36 H new ATOM 0 HD22 LEU A 24 9.550 -5.590 0.753 1.00 1.36 H new ATOM 0 HD23 LEU A 24 8.601 -5.517 2.256 1.00 1.36 H new ATOM 82 N LYS A 25 9.665 -1.196 2.094 1.00 1.36 N ATOM 83 CA LYS A 25 10.170 0.165 2.091 1.00 1.42 C ATOM 84 C LYS A 25 10.650 0.557 0.697 1.00 1.43 C ATOM 85 O LYS A 25 11.721 0.137 0.255 1.00 1.55 O ATOM 86 CB LYS A 25 11.310 0.310 3.102 1.00 1.62 C ATOM 87 CG LYS A 25 10.856 0.204 4.551 1.00 1.51 C ATOM 88 CD LYS A 25 11.944 -0.377 5.438 1.00 1.67 C ATOM 89 CE LYS A 25 11.937 0.251 6.825 1.00 2.04 C ATOM 90 NZ LYS A 25 10.605 0.171 7.483 1.00 2.70 N ATOM 0 H LYS A 25 10.389 -1.913 2.142 1.00 1.36 H new ATOM 0 HA LYS A 25 9.358 0.833 2.378 1.00 1.42 H new ATOM 0 HB2 LYS A 25 12.058 -0.459 2.907 1.00 1.62 H new ATOM 0 HB3 LYS A 25 11.797 1.273 2.952 1.00 1.62 H new ATOM 0 HG2 LYS A 25 10.576 1.191 4.918 1.00 1.51 H new ATOM 0 HG3 LYS A 25 9.966 -0.422 4.609 1.00 1.51 H new ATOM 0 HD2 LYS A 25 11.805 -1.454 5.526 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.916 -0.218 4.972 1.00 1.67 H new ATOM 0 HE2 LYS A 25 12.677 -0.249 7.450 1.00 2.04 H new ATOM 0 HE3 LYS A 25 12.238 1.296 6.748 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 10.659 0.597 8.430 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 9.904 0.685 6.912 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 10.319 -0.825 7.568 1.00 2.70 H new ATOM 104 N VAL A 26 9.840 1.342 0.006 1.00 1.35 N ATOM 105 CA VAL A 26 10.175 1.809 -1.330 1.00 1.41 C ATOM 106 C VAL A 26 10.974 3.104 -1.232 1.00 1.60 C ATOM 107 O VAL A 26 10.531 4.065 -0.599 1.00 1.62 O ATOM 108 CB VAL A 26 8.913 2.060 -2.183 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.282 2.254 -3.647 1.00 1.46 C ATOM 110 CG2 VAL A 26 7.918 0.921 -2.027 1.00 1.13 C ATOM 0 H VAL A 26 8.939 1.672 0.351 1.00 1.35 H new ATOM 0 HA VAL A 26 10.765 1.031 -1.815 1.00 1.41 H new ATOM 0 HB VAL A 26 8.440 2.975 -1.825 1.00 1.32 H new ATOM 0 HG11 VAL A 26 8.378 2.429 -4.230 1.00 1.46 H new ATOM 0 HG12 VAL A 26 9.948 3.111 -3.744 1.00 1.46 H new ATOM 0 HG13 VAL A 26 9.785 1.360 -4.017 1.00 1.46 H new ATOM 0 HG21 VAL A 26 7.037 1.121 -2.638 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.379 -0.012 -2.350 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.623 0.836 -0.981 1.00 1.13 H new ATOM 120 N ILE A 27 12.152 3.120 -1.845 1.00 1.78 N ATOM 121 CA ILE A 27 13.016 4.295 -1.805 1.00 1.99 C ATOM 122 C ILE A 27 13.280 4.845 -3.206 1.00 2.13 C ATOM 123 O ILE A 27 13.511 4.086 -4.156 1.00 2.21 O ATOM 124 CB ILE A 27 14.373 3.978 -1.131 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.180 3.115 0.125 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.101 5.268 -0.778 1.00 2.39 C ATOM 127 CD1 ILE A 27 13.440 3.813 1.249 1.00 2.07 C ATOM 0 H ILE A 27 12.531 2.335 -2.375 1.00 1.78 H new ATOM 0 HA ILE A 27 12.488 5.046 -1.217 1.00 1.99 H new ATOM 0 HB ILE A 27 14.978 3.412 -1.840 1.00 2.15 H new ATOM 0 HG12 ILE A 27 13.635 2.212 -0.148 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.158 2.799 0.489 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.054 5.030 -0.305 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.280 5.845 -1.685 1.00 2.39 H new ATOM 0 HG23 ILE A 27 14.491 5.854 -0.091 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.346 3.136 2.098 1.00 2.07 H new ATOM 0 HD12 ILE A 27 13.994 4.701 1.553 1.00 2.07 H new ATOM 0 HD13 ILE A 27 12.448 4.104 0.905 1.00 2.07 H new ATOM 139 N GLY A 28 13.230 6.167 -3.330 1.00 2.21 N ATOM 140 CA GLY A 28 13.480 6.813 -4.605 1.00 2.40 C ATOM 141 C GLY A 28 14.769 7.616 -4.592 1.00 2.63 C ATOM 142 O GLY A 28 15.379 7.796 -3.539 1.00 2.64 O ATOM 0 H GLY A 28 13.019 6.807 -2.564 1.00 2.21 H new ATOM 0 HA2 GLY A 28 13.531 6.059 -5.390 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.645 7.471 -4.848 1.00 2.40 H new ATOM 146 N GLN A 29 15.168 8.127 -5.758 1.00 2.84 N ATOM 147 CA GLN A 29 16.397 8.912 -5.887 1.00 3.07 C ATOM 148 C GLN A 29 16.301 10.228 -5.111 1.00 3.11 C ATOM 149 O GLN A 29 17.313 10.843 -4.771 1.00 3.26 O ATOM 150 CB GLN A 29 16.689 9.188 -7.366 1.00 3.28 C ATOM 151 CG GLN A 29 18.018 9.891 -7.621 1.00 3.53 C ATOM 152 CD GLN A 29 19.210 9.125 -7.078 1.00 3.59 C ATOM 153 OE1 GLN A 29 19.734 8.222 -7.730 1.00 3.73 O ATOM 154 NE2 GLN A 29 19.659 9.489 -5.886 1.00 3.52 N ATOM 0 H GLN A 29 14.654 8.010 -6.631 1.00 2.84 H new ATOM 0 HA GLN A 29 17.216 8.332 -5.461 1.00 3.07 H new ATOM 0 HB2 GLN A 29 16.681 8.243 -7.909 1.00 3.28 H new ATOM 0 HB3 GLN A 29 15.884 9.798 -7.776 1.00 3.28 H new ATOM 0 HG2 GLN A 29 18.145 10.037 -8.694 1.00 3.53 H new ATOM 0 HG3 GLN A 29 17.992 10.881 -7.166 1.00 3.53 H new ATOM 0 HE21 GLN A 29 19.198 10.242 -5.376 1.00 3.52 H new ATOM 0 HE22 GLN A 29 20.466 9.016 -5.479 1.00 3.52 H new ATOM 163 N ASP A 30 15.081 10.653 -4.822 1.00 3.01 N ATOM 164 CA ASP A 30 14.855 11.888 -4.078 1.00 3.07 C ATOM 165 C ASP A 30 14.824 11.615 -2.578 1.00 2.98 C ATOM 166 O ASP A 30 14.323 12.430 -1.796 1.00 3.01 O ATOM 167 CB ASP A 30 13.548 12.551 -4.522 1.00 3.06 C ATOM 168 CG ASP A 30 12.319 11.745 -4.154 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.177 10.610 -4.657 1.00 2.77 O ATOM 170 OD2 ASP A 30 11.481 12.244 -3.377 1.00 2.90 O ATOM 0 H ASP A 30 14.229 10.162 -5.091 1.00 3.01 H new ATOM 0 HA ASP A 30 15.680 12.568 -4.289 1.00 3.07 H new ATOM 0 HB2 ASP A 30 13.476 13.540 -4.068 1.00 3.06 H new ATOM 0 HB3 ASP A 30 13.570 12.697 -5.602 1.00 3.06 H new ATOM 175 N SER A 31 15.368 10.459 -2.189 1.00 2.89 N ATOM 176 CA SER A 31 15.430 10.043 -0.789 1.00 2.82 C ATOM 177 C SER A 31 14.035 9.949 -0.178 1.00 2.62 C ATOM 178 O SER A 31 13.815 10.332 0.972 1.00 2.65 O ATOM 179 CB SER A 31 16.311 11.007 0.008 1.00 3.05 C ATOM 180 OG SER A 31 17.579 11.165 -0.616 1.00 3.25 O ATOM 0 H SER A 31 15.777 9.786 -2.837 1.00 2.89 H new ATOM 0 HA SER A 31 15.874 9.048 -0.747 1.00 2.82 H new ATOM 0 HB2 SER A 31 15.817 11.975 0.089 1.00 3.05 H new ATOM 0 HB3 SER A 31 16.444 10.631 1.022 1.00 3.05 H new ATOM 0 HG SER A 31 18.126 11.786 -0.092 1.00 3.25 H new ATOM 186 N SER A 32 13.099 9.439 -0.959 1.00 2.47 N ATOM 187 CA SER A 32 11.727 9.283 -0.505 1.00 2.32 C ATOM 188 C SER A 32 11.534 7.908 0.121 1.00 2.11 C ATOM 189 O SER A 32 12.111 6.925 -0.342 1.00 2.13 O ATOM 190 CB SER A 32 10.773 9.459 -1.686 1.00 2.33 C ATOM 191 OG SER A 32 11.343 8.927 -2.869 1.00 2.38 O ATOM 0 H SER A 32 13.265 9.124 -1.915 1.00 2.47 H new ATOM 0 HA SER A 32 11.512 10.042 0.247 1.00 2.32 H new ATOM 0 HB2 SER A 32 9.827 8.960 -1.475 1.00 2.33 H new ATOM 0 HB3 SER A 32 10.550 10.517 -1.827 1.00 2.33 H new ATOM 0 HG SER A 32 11.264 9.582 -3.594 1.00 2.38 H new ATOM 197 N GLU A 33 10.735 7.849 1.173 1.00 2.01 N ATOM 198 CA GLU A 33 10.458 6.597 1.854 1.00 1.87 C ATOM 199 C GLU A 33 8.956 6.323 1.856 1.00 1.79 C ATOM 200 O GLU A 33 8.172 7.075 2.443 1.00 2.00 O ATOM 201 CB GLU A 33 11.013 6.629 3.282 1.00 1.98 C ATOM 202 CG GLU A 33 10.760 7.943 4.009 1.00 2.57 C ATOM 203 CD GLU A 33 11.534 8.056 5.302 1.00 2.75 C ATOM 204 OE1 GLU A 33 11.200 7.338 6.268 1.00 2.99 O ATOM 205 OE2 GLU A 33 12.483 8.867 5.363 1.00 2.98 O ATOM 0 H GLU A 33 10.264 8.659 1.576 1.00 2.01 H new ATOM 0 HA GLU A 33 10.954 5.787 1.320 1.00 1.87 H new ATOM 0 HB2 GLU A 33 10.566 5.816 3.854 1.00 1.98 H new ATOM 0 HB3 GLU A 33 12.087 6.443 3.249 1.00 1.98 H new ATOM 0 HG2 GLU A 33 11.030 8.772 3.355 1.00 2.57 H new ATOM 0 HG3 GLU A 33 9.695 8.037 4.219 1.00 2.57 H new ATOM 212 N ILE A 34 8.559 5.265 1.168 1.00 1.58 N ATOM 213 CA ILE A 34 7.156 4.889 1.071 1.00 1.50 C ATOM 214 C ILE A 34 6.962 3.441 1.499 1.00 1.38 C ATOM 215 O ILE A 34 7.716 2.561 1.096 1.00 1.31 O ATOM 216 CB ILE A 34 6.634 5.078 -0.377 1.00 1.46 C ATOM 217 CG1 ILE A 34 6.635 6.564 -0.763 1.00 1.71 C ATOM 218 CG2 ILE A 34 5.243 4.484 -0.551 1.00 1.41 C ATOM 219 CD1 ILE A 34 5.664 7.415 0.034 1.00 1.81 C ATOM 0 H ILE A 34 9.194 4.646 0.664 1.00 1.58 H new ATOM 0 HA ILE A 34 6.588 5.538 1.737 1.00 1.50 H new ATOM 0 HB ILE A 34 7.310 4.543 -1.044 1.00 1.46 H new ATOM 0 HG12 ILE A 34 7.641 6.961 -0.631 1.00 1.71 H new ATOM 0 HG13 ILE A 34 6.393 6.653 -1.822 1.00 1.71 H new ATOM 0 HG21 ILE A 34 4.909 4.635 -1.578 1.00 1.41 H new ATOM 0 HG22 ILE A 34 5.273 3.417 -0.332 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.550 4.975 0.132 1.00 1.41 H new ATOM 0 HD11 ILE A 34 5.728 8.450 -0.301 1.00 1.81 H new ATOM 0 HD12 ILE A 34 4.649 7.047 -0.117 1.00 1.81 H new ATOM 0 HD13 ILE A 34 5.917 7.360 1.093 1.00 1.81 H new ATOM 231 N HIS A 35 5.962 3.199 2.331 1.00 1.41 N ATOM 232 CA HIS A 35 5.679 1.852 2.796 1.00 1.33 C ATOM 233 C HIS A 35 4.663 1.182 1.881 1.00 1.23 C ATOM 234 O HIS A 35 3.817 1.843 1.280 1.00 1.29 O ATOM 235 CB HIS A 35 5.171 1.868 4.240 1.00 1.46 C ATOM 236 CG HIS A 35 6.196 1.420 5.236 1.00 1.58 C ATOM 237 ND1 HIS A 35 5.896 0.928 6.488 1.00 1.91 N ATOM 238 CD2 HIS A 35 7.549 1.394 5.139 1.00 1.83 C ATOM 239 CE1 HIS A 35 7.048 0.626 7.099 1.00 2.04 C ATOM 240 NE2 HIS A 35 8.082 0.889 6.322 1.00 2.02 N ATOM 0 H HIS A 35 5.335 3.915 2.697 1.00 1.41 H new ATOM 0 HA HIS A 35 6.606 1.279 2.770 1.00 1.33 H new ATOM 0 HB2 HIS A 35 4.847 2.878 4.492 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.295 1.224 4.316 1.00 1.46 H new ATOM 0 HD1 HIS A 35 4.961 0.814 6.880 1.00 1.91 H new ATOM 0 HD2 HIS A 35 8.121 1.714 4.281 1.00 1.83 H new ATOM 0 HE1 HIS A 35 7.122 0.220 8.097 1.00 2.04 H new ATOM 248 N PHE A 36 4.749 -0.129 1.773 1.00 1.15 N ATOM 249 CA PHE A 36 3.848 -0.870 0.910 1.00 1.06 C ATOM 250 C PHE A 36 3.232 -2.063 1.626 1.00 1.12 C ATOM 251 O PHE A 36 3.923 -3.039 1.916 1.00 1.18 O ATOM 252 CB PHE A 36 4.608 -1.355 -0.326 1.00 0.98 C ATOM 253 CG PHE A 36 3.921 -1.057 -1.627 1.00 0.94 C ATOM 254 CD1 PHE A 36 2.549 -1.176 -1.748 1.00 1.06 C ATOM 255 CD2 PHE A 36 4.655 -0.663 -2.732 1.00 1.25 C ATOM 256 CE1 PHE A 36 1.921 -0.906 -2.946 1.00 1.30 C ATOM 257 CE2 PHE A 36 4.032 -0.393 -3.934 1.00 1.53 C ATOM 258 CZ PHE A 36 2.663 -0.515 -4.042 1.00 1.49 C ATOM 0 H PHE A 36 5.431 -0.702 2.270 1.00 1.15 H new ATOM 0 HA PHE A 36 3.039 -0.200 0.618 1.00 1.06 H new ATOM 0 HB2 PHE A 36 5.596 -0.894 -0.336 1.00 0.98 H new ATOM 0 HB3 PHE A 36 4.760 -2.431 -0.246 1.00 0.98 H new ATOM 0 HD1 PHE A 36 1.962 -1.484 -0.895 1.00 1.06 H new ATOM 0 HD2 PHE A 36 5.728 -0.566 -2.653 1.00 1.25 H new ATOM 0 HE1 PHE A 36 0.848 -1.001 -3.026 1.00 1.30 H new ATOM 0 HE2 PHE A 36 4.616 -0.087 -4.789 1.00 1.53 H new ATOM 0 HZ PHE A 36 2.173 -0.305 -4.981 1.00 1.49 H new ATOM 268 N LYS A 37 1.942 -1.968 1.930 1.00 1.21 N ATOM 269 CA LYS A 37 1.231 -3.066 2.580 1.00 1.34 C ATOM 270 C LYS A 37 0.818 -4.100 1.539 1.00 1.28 C ATOM 271 O LYS A 37 -0.159 -3.904 0.815 1.00 1.35 O ATOM 272 CB LYS A 37 -0.011 -2.557 3.312 1.00 1.57 C ATOM 273 CG LYS A 37 0.158 -2.463 4.819 1.00 1.77 C ATOM 274 CD LYS A 37 -1.117 -1.985 5.500 1.00 2.07 C ATOM 275 CE LYS A 37 -1.669 -0.724 4.851 1.00 2.14 C ATOM 276 NZ LYS A 37 -2.988 -0.341 5.415 1.00 2.40 N ATOM 0 H LYS A 37 1.369 -1.147 1.738 1.00 1.21 H new ATOM 0 HA LYS A 37 1.901 -3.522 3.309 1.00 1.34 H new ATOM 0 HB2 LYS A 37 -0.272 -1.573 2.923 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.848 -3.219 3.091 1.00 1.57 H new ATOM 0 HG2 LYS A 37 0.438 -3.439 5.215 1.00 1.77 H new ATOM 0 HG3 LYS A 37 0.974 -1.778 5.052 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -1.868 -2.774 5.458 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -0.915 -1.792 6.554 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -0.963 0.095 4.991 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -1.766 -0.881 3.777 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -3.679 -0.238 4.644 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -3.311 -1.078 6.074 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -2.899 0.562 5.923 1.00 2.40 H new ATOM 290 N VAL A 38 1.564 -5.188 1.463 1.00 1.24 N ATOM 291 CA VAL A 38 1.279 -6.234 0.489 1.00 1.25 C ATOM 292 C VAL A 38 0.889 -7.551 1.152 1.00 1.39 C ATOM 293 O VAL A 38 1.062 -7.734 2.362 1.00 1.48 O ATOM 294 CB VAL A 38 2.485 -6.476 -0.443 1.00 1.19 C ATOM 295 CG1 VAL A 38 2.697 -5.283 -1.357 1.00 1.57 C ATOM 296 CG2 VAL A 38 3.745 -6.765 0.365 1.00 1.27 C ATOM 0 H VAL A 38 2.370 -5.373 2.061 1.00 1.24 H new ATOM 0 HA VAL A 38 0.432 -5.879 -0.097 1.00 1.25 H new ATOM 0 HB VAL A 38 2.271 -7.349 -1.059 1.00 1.19 H new ATOM 0 HG11 VAL A 38 3.551 -5.470 -2.008 1.00 1.57 H new ATOM 0 HG12 VAL A 38 1.806 -5.127 -1.965 1.00 1.57 H new ATOM 0 HG13 VAL A 38 2.887 -4.394 -0.756 1.00 1.57 H new ATOM 0 HG21 VAL A 38 4.582 -6.932 -0.313 1.00 1.27 H new ATOM 0 HG22 VAL A 38 3.966 -5.915 1.011 1.00 1.27 H new ATOM 0 HG23 VAL A 38 3.590 -7.654 0.976 1.00 1.27 H new ATOM 306 N LYS A 39 0.360 -8.457 0.344 1.00 1.43 N ATOM 307 CA LYS A 39 -0.057 -9.769 0.806 1.00 1.60 C ATOM 308 C LYS A 39 0.814 -10.827 0.144 1.00 1.60 C ATOM 309 O LYS A 39 1.090 -10.747 -1.053 1.00 1.49 O ATOM 310 CB LYS A 39 -1.529 -10.002 0.459 1.00 1.69 C ATOM 311 CG LYS A 39 -2.165 -11.178 1.185 1.00 2.00 C ATOM 312 CD LYS A 39 -3.642 -11.300 0.842 1.00 2.35 C ATOM 313 CE LYS A 39 -4.288 -12.504 1.507 1.00 2.74 C ATOM 314 NZ LYS A 39 -4.454 -12.322 2.973 1.00 3.20 N ATOM 0 H LYS A 39 0.208 -8.301 -0.653 1.00 1.43 H new ATOM 0 HA LYS A 39 0.056 -9.831 1.888 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -2.092 -9.099 0.692 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -1.616 -10.164 -0.615 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -1.648 -12.099 0.914 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -2.048 -11.051 2.261 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -4.161 -10.393 1.152 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -3.757 -11.379 -0.239 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -5.262 -12.686 1.054 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -3.679 -13.389 1.320 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -5.212 -12.945 3.317 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -3.564 -12.561 3.455 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -4.702 -11.332 3.174 1.00 3.20 H new ATOM 328 N MET A 40 1.256 -11.808 0.915 1.00 1.76 N ATOM 329 CA MET A 40 2.106 -12.857 0.379 1.00 1.82 C ATOM 330 C MET A 40 1.274 -13.876 -0.394 1.00 1.89 C ATOM 331 O MET A 40 0.864 -14.900 0.154 1.00 2.06 O ATOM 332 CB MET A 40 2.870 -13.551 1.510 1.00 2.01 C ATOM 333 CG MET A 40 3.989 -14.460 1.030 1.00 1.99 C ATOM 334 SD MET A 40 4.650 -15.492 2.349 1.00 2.53 S ATOM 335 CE MET A 40 3.297 -16.642 2.595 1.00 3.01 C ATOM 0 H MET A 40 1.041 -11.899 1.908 1.00 1.76 H new ATOM 0 HA MET A 40 2.824 -12.403 -0.304 1.00 1.82 H new ATOM 0 HB2 MET A 40 3.290 -12.792 2.171 1.00 2.01 H new ATOM 0 HB3 MET A 40 2.168 -14.137 2.103 1.00 2.01 H new ATOM 0 HG2 MET A 40 3.617 -15.096 0.227 1.00 1.99 H new ATOM 0 HG3 MET A 40 4.791 -13.853 0.611 1.00 1.99 H new ATOM 0 HE1 MET A 40 3.666 -17.535 3.101 1.00 3.01 H new ATOM 0 HE2 MET A 40 2.526 -16.172 3.205 1.00 3.01 H new ATOM 0 HE3 MET A 40 2.876 -16.920 1.629 1.00 3.01 H new ATOM 345 N THR A 41 1.032 -13.574 -1.665 1.00 1.77 N ATOM 346 CA THR A 41 0.263 -14.439 -2.556 1.00 1.85 C ATOM 347 C THR A 41 0.367 -13.930 -3.988 1.00 1.77 C ATOM 348 O THR A 41 0.581 -14.704 -4.925 1.00 1.92 O ATOM 349 CB THR A 41 -1.234 -14.508 -2.173 1.00 1.99 C ATOM 350 OG1 THR A 41 -1.597 -13.390 -1.351 1.00 2.21 O ATOM 351 CG2 THR A 41 -1.557 -15.810 -1.457 1.00 2.21 C ATOM 0 H THR A 41 1.365 -12.718 -2.109 1.00 1.77 H new ATOM 0 HA THR A 41 0.686 -15.439 -2.463 1.00 1.85 H new ATOM 0 HB THR A 41 -1.815 -14.471 -3.094 1.00 1.99 H new ATOM 0 HG1 THR A 41 -2.101 -12.741 -1.885 1.00 2.21 H new ATOM 0 HG21 THR A 41 -2.616 -15.831 -1.200 1.00 2.21 H new ATOM 0 HG22 THR A 41 -1.326 -16.651 -2.110 1.00 2.21 H new ATOM 0 HG23 THR A 41 -0.961 -15.882 -0.547 1.00 2.21 H new ATOM 359 N THR A 42 0.225 -12.624 -4.144 1.00 1.62 N ATOM 360 CA THR A 42 0.293 -11.991 -5.448 1.00 1.60 C ATOM 361 C THR A 42 1.736 -11.870 -5.930 1.00 1.48 C ATOM 362 O THR A 42 2.660 -11.749 -5.124 1.00 1.35 O ATOM 363 CB THR A 42 -0.352 -10.596 -5.396 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.104 -10.460 -4.182 1.00 1.63 O ATOM 365 CG2 THR A 42 -1.267 -10.382 -6.591 1.00 1.75 C ATOM 0 H THR A 42 0.060 -11.977 -3.373 1.00 1.62 H new ATOM 0 HA THR A 42 -0.254 -12.619 -6.152 1.00 1.60 H new ATOM 0 HB THR A 42 0.438 -9.845 -5.426 1.00 1.58 H new ATOM 0 HG1 THR A 42 -1.885 -11.051 -4.213 1.00 1.63 H new ATOM 0 HG21 THR A 42 -1.713 -9.389 -6.535 1.00 1.75 H new ATOM 0 HG22 THR A 42 -0.690 -10.469 -7.511 1.00 1.75 H new ATOM 0 HG23 THR A 42 -2.055 -11.135 -6.585 1.00 1.75 H new ATOM 373 N HIS A 43 1.923 -11.944 -7.243 1.00 1.61 N ATOM 374 CA HIS A 43 3.248 -11.829 -7.837 1.00 1.65 C ATOM 375 C HIS A 43 3.796 -10.417 -7.644 1.00 1.48 C ATOM 376 O HIS A 43 3.060 -9.498 -7.282 1.00 1.33 O ATOM 377 CB HIS A 43 3.192 -12.164 -9.332 1.00 1.90 C ATOM 378 CG HIS A 43 3.439 -13.607 -9.646 1.00 1.95 C ATOM 379 ND1 HIS A 43 2.554 -14.624 -9.359 1.00 2.43 N ATOM 380 CD2 HIS A 43 4.496 -14.197 -10.263 1.00 2.01 C ATOM 381 CE1 HIS A 43 3.089 -15.771 -9.793 1.00 2.36 C ATOM 382 NE2 HIS A 43 4.267 -15.566 -10.353 1.00 2.09 N ATOM 0 H HIS A 43 1.171 -12.084 -7.917 1.00 1.61 H new ATOM 0 HA HIS A 43 3.911 -12.537 -7.339 1.00 1.65 H new ATOM 0 HB2 HIS A 43 2.213 -11.881 -9.720 1.00 1.90 H new ATOM 0 HB3 HIS A 43 3.930 -11.558 -9.857 1.00 1.90 H new ATOM 0 HD2 HIS A 43 5.375 -13.684 -10.626 1.00 2.01 H new ATOM 0 HE1 HIS A 43 2.619 -16.738 -9.698 1.00 2.36 H new ATOM 0 HE2 HIS A 43 4.882 -16.267 -10.766 1.00 2.09 H new ATOM 390 N LEU A 44 5.084 -10.240 -7.912 1.00 1.56 N ATOM 391 CA LEU A 44 5.721 -8.935 -7.755 1.00 1.47 C ATOM 392 C LEU A 44 5.332 -7.995 -8.890 1.00 1.45 C ATOM 393 O LEU A 44 5.711 -6.822 -8.897 1.00 1.45 O ATOM 394 CB LEU A 44 7.242 -9.084 -7.674 1.00 1.65 C ATOM 395 CG LEU A 44 7.750 -9.835 -6.441 1.00 1.77 C ATOM 396 CD1 LEU A 44 9.267 -9.905 -6.439 1.00 1.89 C ATOM 397 CD2 LEU A 44 7.247 -9.177 -5.162 1.00 1.80 C ATOM 0 H LEU A 44 5.707 -10.979 -8.238 1.00 1.56 H new ATOM 0 HA LEU A 44 5.368 -8.498 -6.821 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.590 -9.603 -8.567 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.691 -8.091 -7.688 1.00 1.65 H new ATOM 0 HG LEU A 44 7.359 -10.852 -6.482 1.00 1.77 H new ATOM 0 HD11 LEU A 44 9.605 -10.443 -5.553 1.00 1.89 H new ATOM 0 HD12 LEU A 44 9.608 -10.427 -7.333 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.678 -8.895 -6.429 1.00 1.89 H new ATOM 0 HD21 LEU A 44 7.620 -9.728 -4.298 1.00 1.80 H new ATOM 0 HD22 LEU A 44 7.603 -8.148 -5.118 1.00 1.80 H new ATOM 0 HD23 LEU A 44 6.157 -9.184 -5.153 1.00 1.80 H new ATOM 409 N LYS A 45 4.572 -8.516 -9.846 1.00 1.48 N ATOM 410 CA LYS A 45 4.100 -7.721 -10.969 1.00 1.52 C ATOM 411 C LYS A 45 3.176 -6.621 -10.454 1.00 1.41 C ATOM 412 O LYS A 45 3.322 -5.451 -10.811 1.00 1.43 O ATOM 413 CB LYS A 45 3.366 -8.622 -11.974 1.00 1.63 C ATOM 414 CG LYS A 45 2.293 -7.911 -12.791 1.00 1.89 C ATOM 415 CD LYS A 45 2.877 -7.160 -13.975 1.00 1.77 C ATOM 416 CE LYS A 45 2.551 -7.855 -15.285 1.00 2.18 C ATOM 417 NZ LYS A 45 3.037 -7.080 -16.454 1.00 2.44 N ATOM 0 H LYS A 45 4.269 -9.490 -9.864 1.00 1.48 H new ATOM 0 HA LYS A 45 4.947 -7.261 -11.477 1.00 1.52 H new ATOM 0 HB2 LYS A 45 4.097 -9.055 -12.656 1.00 1.63 H new ATOM 0 HB3 LYS A 45 2.905 -9.449 -11.433 1.00 1.63 H new ATOM 0 HG2 LYS A 45 1.567 -8.642 -13.148 1.00 1.89 H new ATOM 0 HG3 LYS A 45 1.754 -7.213 -12.150 1.00 1.89 H new ATOM 0 HD2 LYS A 45 2.484 -6.143 -13.993 1.00 1.77 H new ATOM 0 HD3 LYS A 45 3.958 -7.082 -13.861 1.00 1.77 H new ATOM 0 HE2 LYS A 45 3.003 -8.847 -15.293 1.00 2.18 H new ATOM 0 HE3 LYS A 45 1.473 -7.995 -15.364 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 3.014 -7.681 -17.303 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 2.426 -6.251 -16.599 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 4.013 -6.764 -16.280 1.00 2.44 H new ATOM 431 N LYS A 46 2.246 -7.019 -9.587 1.00 1.33 N ATOM 432 CA LYS A 46 1.281 -6.100 -8.988 1.00 1.28 C ATOM 433 C LYS A 46 1.995 -4.969 -8.257 1.00 1.20 C ATOM 434 O LYS A 46 1.592 -3.811 -8.332 1.00 1.20 O ATOM 435 CB LYS A 46 0.381 -6.859 -8.009 1.00 1.31 C ATOM 436 CG LYS A 46 -0.962 -6.193 -7.756 1.00 1.33 C ATOM 437 CD LYS A 46 -1.950 -6.498 -8.870 1.00 1.76 C ATOM 438 CE LYS A 46 -3.331 -5.946 -8.559 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.390 -4.469 -8.710 1.00 2.08 N ATOM 0 H LYS A 46 2.141 -7.986 -9.281 1.00 1.33 H new ATOM 0 HA LYS A 46 0.673 -5.670 -9.784 1.00 1.28 H new ATOM 0 HB2 LYS A 46 0.209 -7.864 -8.395 1.00 1.31 H new ATOM 0 HB3 LYS A 46 0.905 -6.967 -7.060 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -1.367 -6.537 -6.804 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -0.826 -5.115 -7.674 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -1.589 -6.070 -9.805 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -2.013 -7.576 -9.016 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -4.063 -6.407 -9.222 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -3.608 -6.217 -7.540 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -4.120 -4.084 -8.077 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -2.467 -4.058 -8.465 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -3.625 -4.230 -9.694 1.00 2.08 H new ATOM 453 N LEU A 47 3.075 -5.322 -7.570 1.00 1.18 N ATOM 454 CA LEU A 47 3.870 -4.366 -6.808 1.00 1.15 C ATOM 455 C LEU A 47 4.368 -3.234 -7.705 1.00 1.18 C ATOM 456 O LEU A 47 4.377 -2.067 -7.311 1.00 1.20 O ATOM 457 CB LEU A 47 5.062 -5.100 -6.171 1.00 1.21 C ATOM 458 CG LEU A 47 5.690 -4.445 -4.932 1.00 1.64 C ATOM 459 CD1 LEU A 47 6.651 -3.333 -5.325 1.00 2.54 C ATOM 460 CD2 LEU A 47 4.611 -3.916 -4.003 1.00 2.22 C ATOM 0 H LEU A 47 3.424 -6.279 -7.525 1.00 1.18 H new ATOM 0 HA LEU A 47 3.247 -3.927 -6.029 1.00 1.15 H new ATOM 0 HB2 LEU A 47 4.737 -6.104 -5.898 1.00 1.21 H new ATOM 0 HB3 LEU A 47 5.838 -5.211 -6.928 1.00 1.21 H new ATOM 0 HG LEU A 47 6.260 -5.208 -4.402 1.00 1.64 H new ATOM 0 HD11 LEU A 47 7.080 -2.888 -4.427 1.00 2.54 H new ATOM 0 HD12 LEU A 47 7.449 -3.744 -5.943 1.00 2.54 H new ATOM 0 HD13 LEU A 47 6.113 -2.569 -5.887 1.00 2.54 H new ATOM 0 HD21 LEU A 47 5.075 -3.456 -3.131 1.00 2.22 H new ATOM 0 HD22 LEU A 47 4.010 -3.174 -4.529 1.00 2.22 H new ATOM 0 HD23 LEU A 47 3.972 -4.739 -3.682 1.00 2.22 H new ATOM 472 N LYS A 48 4.754 -3.589 -8.919 1.00 1.25 N ATOM 473 CA LYS A 48 5.283 -2.624 -9.868 1.00 1.37 C ATOM 474 C LYS A 48 4.184 -1.805 -10.544 1.00 1.38 C ATOM 475 O LYS A 48 4.199 -0.573 -10.492 1.00 1.43 O ATOM 476 CB LYS A 48 6.113 -3.344 -10.932 1.00 1.53 C ATOM 477 CG LYS A 48 7.294 -4.120 -10.367 1.00 1.58 C ATOM 478 CD LYS A 48 7.888 -5.074 -11.391 1.00 1.80 C ATOM 479 CE LYS A 48 8.509 -4.328 -12.562 1.00 2.01 C ATOM 480 NZ LYS A 48 9.014 -5.254 -13.604 1.00 2.26 N ATOM 0 H LYS A 48 4.710 -4.545 -9.272 1.00 1.25 H new ATOM 0 HA LYS A 48 5.909 -1.930 -9.306 1.00 1.37 H new ATOM 0 HB2 LYS A 48 5.468 -4.030 -11.480 1.00 1.53 H new ATOM 0 HB3 LYS A 48 6.481 -2.611 -11.650 1.00 1.53 H new ATOM 0 HG2 LYS A 48 8.061 -3.421 -10.034 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.973 -4.682 -9.490 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.645 -5.695 -10.913 1.00 1.80 H new ATOM 0 HD3 LYS A 48 7.111 -5.744 -11.758 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.768 -3.659 -13.000 1.00 2.01 H new ATOM 0 HE3 LYS A 48 9.328 -3.705 -12.202 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 9.383 -4.705 -14.407 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.775 -5.842 -13.207 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.239 -5.866 -13.930 1.00 2.26 H new ATOM 494 N GLU A 49 3.227 -2.489 -11.166 1.00 1.39 N ATOM 495 CA GLU A 49 2.147 -1.816 -11.892 1.00 1.46 C ATOM 496 C GLU A 49 1.259 -0.962 -10.986 1.00 1.40 C ATOM 497 O GLU A 49 0.938 0.175 -11.334 1.00 1.51 O ATOM 498 CB GLU A 49 1.300 -2.829 -12.673 1.00 1.52 C ATOM 499 CG GLU A 49 0.854 -4.027 -11.857 1.00 1.45 C ATOM 500 CD GLU A 49 -0.638 -4.040 -11.612 1.00 1.63 C ATOM 501 OE1 GLU A 49 -1.399 -4.352 -12.551 1.00 1.88 O ATOM 502 OE2 GLU A 49 -1.061 -3.733 -10.482 1.00 1.70 O ATOM 0 H GLU A 49 3.175 -3.508 -11.183 1.00 1.39 H new ATOM 0 HA GLU A 49 2.627 -1.135 -12.595 1.00 1.46 H new ATOM 0 HB2 GLU A 49 0.418 -2.322 -13.066 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.874 -3.181 -13.530 1.00 1.52 H new ATOM 0 HG2 GLU A 49 1.142 -4.942 -12.375 1.00 1.45 H new ATOM 0 HG3 GLU A 49 1.376 -4.025 -10.900 1.00 1.45 H new ATOM 509 N SER A 50 0.875 -1.487 -9.828 1.00 1.30 N ATOM 510 CA SER A 50 0.014 -0.751 -8.911 1.00 1.32 C ATOM 511 C SER A 50 0.695 0.520 -8.414 1.00 1.33 C ATOM 512 O SER A 50 0.039 1.548 -8.222 1.00 1.46 O ATOM 513 CB SER A 50 -0.391 -1.631 -7.731 1.00 1.26 C ATOM 514 OG SER A 50 -1.247 -2.684 -8.151 1.00 1.37 O ATOM 0 H SER A 50 1.145 -2.415 -9.503 1.00 1.30 H new ATOM 0 HA SER A 50 -0.884 -0.462 -9.457 1.00 1.32 H new ATOM 0 HB2 SER A 50 0.500 -2.047 -7.261 1.00 1.26 H new ATOM 0 HB3 SER A 50 -0.896 -1.026 -6.978 1.00 1.26 H new ATOM 0 HG SER A 50 -0.839 -3.155 -8.907 1.00 1.37 H new ATOM 520 N TYR A 51 2.007 0.458 -8.222 1.00 1.26 N ATOM 521 CA TYR A 51 2.749 1.620 -7.766 1.00 1.33 C ATOM 522 C TYR A 51 2.734 2.692 -8.848 1.00 1.50 C ATOM 523 O TYR A 51 2.479 3.866 -8.573 1.00 1.62 O ATOM 524 CB TYR A 51 4.189 1.249 -7.407 1.00 1.28 C ATOM 525 CG TYR A 51 4.929 2.345 -6.670 1.00 1.35 C ATOM 526 CD1 TYR A 51 4.759 2.526 -5.308 1.00 1.35 C ATOM 527 CD2 TYR A 51 5.791 3.199 -7.341 1.00 1.54 C ATOM 528 CE1 TYR A 51 5.427 3.528 -4.631 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.465 4.204 -6.674 1.00 1.64 C ATOM 530 CZ TYR A 51 6.279 4.365 -5.318 1.00 1.56 C ATOM 531 OH TYR A 51 6.941 5.370 -4.648 1.00 1.69 O ATOM 0 H TYR A 51 2.572 -0.377 -8.374 1.00 1.26 H new ATOM 0 HA TYR A 51 2.270 2.006 -6.866 1.00 1.33 H new ATOM 0 HB2 TYR A 51 4.181 0.349 -6.792 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.732 1.006 -8.320 1.00 1.28 H new ATOM 0 HD1 TYR A 51 4.092 1.872 -4.765 1.00 1.35 H new ATOM 0 HD2 TYR A 51 5.938 3.076 -8.404 1.00 1.54 H new ATOM 0 HE1 TYR A 51 5.282 3.655 -3.568 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.134 4.860 -7.212 1.00 1.64 H new ATOM 0 HH TYR A 51 7.503 5.868 -5.278 1.00 1.69 H new ATOM 541 N CYS A 52 2.983 2.270 -10.086 1.00 1.55 N ATOM 542 CA CYS A 52 2.991 3.181 -11.224 1.00 1.74 C ATOM 543 C CYS A 52 1.614 3.812 -11.408 1.00 1.84 C ATOM 544 O CYS A 52 1.499 4.993 -11.745 1.00 1.99 O ATOM 545 CB CYS A 52 3.402 2.441 -12.500 1.00 1.82 C ATOM 546 SG CYS A 52 4.988 1.585 -12.377 1.00 1.82 S ATOM 0 H CYS A 52 3.182 1.299 -10.325 1.00 1.55 H new ATOM 0 HA CYS A 52 3.717 3.970 -11.027 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.628 1.716 -12.752 1.00 1.82 H new ATOM 0 HB3 CYS A 52 3.449 3.155 -13.322 1.00 1.82 H new ATOM 0 HG CYS A 52 4.921 0.678 -11.448 1.00 1.82 H new ATOM 552 N GLN A 53 0.570 3.017 -11.167 1.00 1.79 N ATOM 553 CA GLN A 53 -0.806 3.486 -11.294 1.00 1.94 C ATOM 554 C GLN A 53 -1.088 4.631 -10.327 1.00 1.99 C ATOM 555 O GLN A 53 -1.688 5.637 -10.704 1.00 2.17 O ATOM 556 CB GLN A 53 -1.789 2.342 -11.038 1.00 1.91 C ATOM 557 CG GLN A 53 -1.901 1.362 -12.195 1.00 1.94 C ATOM 558 CD GLN A 53 -2.791 0.180 -11.869 1.00 1.90 C ATOM 559 OE1 GLN A 53 -2.853 -0.272 -10.726 1.00 1.86 O ATOM 560 NE2 GLN A 53 -3.484 -0.332 -12.872 1.00 2.00 N ATOM 0 H GLN A 53 0.655 2.041 -10.882 1.00 1.79 H new ATOM 0 HA GLN A 53 -0.938 3.851 -12.313 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.478 1.801 -10.144 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -2.774 2.761 -10.831 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.296 1.880 -13.069 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -0.907 1.002 -12.460 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -3.405 0.072 -13.805 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -4.098 -1.131 -12.712 1.00 2.00 H new ATOM 569 N ARG A 54 -0.641 4.484 -9.083 1.00 1.86 N ATOM 570 CA ARG A 54 -0.861 5.518 -8.077 1.00 1.94 C ATOM 571 C ARG A 54 0.091 6.692 -8.288 1.00 2.02 C ATOM 572 O ARG A 54 -0.185 7.814 -7.860 1.00 2.17 O ATOM 573 CB ARG A 54 -0.693 4.953 -6.665 1.00 1.82 C ATOM 574 CG ARG A 54 -1.556 5.665 -5.633 1.00 2.10 C ATOM 575 CD ARG A 54 -1.200 5.256 -4.212 1.00 1.80 C ATOM 576 NE ARG A 54 0.028 5.896 -3.737 1.00 1.77 N ATOM 577 CZ ARG A 54 0.274 6.180 -2.457 1.00 1.81 C ATOM 578 NH1 ARG A 54 -0.621 5.895 -1.525 1.00 1.85 N ATOM 579 NH2 ARG A 54 1.419 6.749 -2.107 1.00 1.89 N ATOM 0 H ARG A 54 -0.129 3.667 -8.750 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.885 5.875 -8.187 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.945 3.892 -6.672 1.00 1.82 H new ATOM 0 HB3 ARG A 54 0.354 5.030 -6.371 1.00 1.82 H new ATOM 0 HG2 ARG A 54 -1.435 6.743 -5.741 1.00 2.10 H new ATOM 0 HG3 ARG A 54 -2.606 5.442 -5.822 1.00 2.10 H new ATOM 0 HD2 ARG A 54 -2.023 5.515 -3.546 1.00 1.80 H new ATOM 0 HD3 ARG A 54 -1.083 4.173 -4.167 1.00 1.80 H new ATOM 0 HE ARG A 54 0.739 6.140 -4.427 1.00 1.77 H new ATOM 0 HH11 ARG A 54 -1.505 5.456 -1.784 1.00 1.85 H new ATOM 0 HH12 ARG A 54 -0.427 6.114 -0.548 1.00 1.85 H new ATOM 0 HH21 ARG A 54 2.116 6.971 -2.818 1.00 1.89 H new ATOM 0 HH22 ARG A 54 1.603 6.964 -1.127 1.00 1.89 H new ATOM 593 N GLN A 55 1.221 6.426 -8.930 1.00 1.96 N ATOM 594 CA GLN A 55 2.208 7.462 -9.211 1.00 2.07 C ATOM 595 C GLN A 55 1.734 8.345 -10.357 1.00 2.27 C ATOM 596 O GLN A 55 2.007 9.545 -10.383 1.00 2.41 O ATOM 597 CB GLN A 55 3.559 6.843 -9.574 1.00 2.01 C ATOM 598 CG GLN A 55 4.426 6.496 -8.375 1.00 1.84 C ATOM 599 CD GLN A 55 4.690 7.687 -7.476 1.00 1.98 C ATOM 600 OE1 GLN A 55 4.001 7.890 -6.476 1.00 1.96 O ATOM 601 NE2 GLN A 55 5.683 8.487 -7.829 1.00 2.24 N ATOM 0 H GLN A 55 1.478 5.498 -9.267 1.00 1.96 H new ATOM 0 HA GLN A 55 2.327 8.066 -8.311 1.00 2.07 H new ATOM 0 HB2 GLN A 55 3.387 5.939 -10.158 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.104 7.537 -10.214 1.00 2.01 H new ATOM 0 HG2 GLN A 55 3.940 5.711 -7.796 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.376 6.093 -8.724 1.00 1.84 H new ATOM 0 HE21 GLN A 55 6.230 8.283 -8.666 1.00 2.24 H new ATOM 0 HE22 GLN A 55 5.902 9.308 -7.265 1.00 2.24 H new ATOM 610 N GLY A 56 1.025 7.738 -11.296 1.00 2.29 N ATOM 611 CA GLY A 56 0.526 8.465 -12.441 1.00 2.49 C ATOM 612 C GLY A 56 1.438 8.324 -13.638 1.00 2.55 C ATOM 613 O GLY A 56 1.562 9.241 -14.448 1.00 2.74 O ATOM 0 H GLY A 56 0.785 6.747 -11.283 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.469 8.101 -12.697 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.423 9.520 -12.185 1.00 2.49 H new ATOM 617 N VAL A 57 2.084 7.173 -13.749 1.00 2.42 N ATOM 618 CA VAL A 57 2.993 6.911 -14.855 1.00 2.52 C ATOM 619 C VAL A 57 2.675 5.569 -15.504 1.00 2.44 C ATOM 620 O VAL A 57 2.135 4.673 -14.850 1.00 2.26 O ATOM 621 CB VAL A 57 4.472 6.925 -14.399 1.00 2.52 C ATOM 622 CG1 VAL A 57 4.945 8.351 -14.165 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.662 6.085 -13.145 1.00 2.31 C ATOM 0 H VAL A 57 1.995 6.404 -13.085 1.00 2.42 H new ATOM 0 HA VAL A 57 2.851 7.711 -15.582 1.00 2.52 H new ATOM 0 HB VAL A 57 5.076 6.487 -15.194 1.00 2.52 H new ATOM 0 HG11 VAL A 57 5.987 8.341 -13.845 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.855 8.921 -15.090 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.333 8.815 -13.392 1.00 2.66 H new ATOM 0 HG21 VAL A 57 5.710 6.111 -12.845 1.00 2.31 H new ATOM 0 HG22 VAL A 57 4.044 6.486 -12.341 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.368 5.055 -13.349 1.00 2.31 H new ATOM 633 N PRO A 58 2.981 5.422 -16.802 1.00 2.60 N ATOM 634 CA PRO A 58 2.732 4.181 -17.536 1.00 2.59 C ATOM 635 C PRO A 58 3.598 3.031 -17.031 1.00 2.43 C ATOM 636 O PRO A 58 4.680 3.246 -16.477 1.00 2.41 O ATOM 637 CB PRO A 58 3.095 4.532 -18.982 1.00 2.86 C ATOM 638 CG PRO A 58 4.023 5.692 -18.874 1.00 2.93 C ATOM 639 CD PRO A 58 3.583 6.458 -17.659 1.00 2.84 C ATOM 0 HA PRO A 58 1.704 3.840 -17.418 1.00 2.59 H new ATOM 0 HB2 PRO A 58 3.571 3.691 -19.485 1.00 2.86 H new ATOM 0 HB3 PRO A 58 2.208 4.789 -19.561 1.00 2.86 H new ATOM 0 HG2 PRO A 58 5.056 5.358 -18.773 1.00 2.93 H new ATOM 0 HG3 PRO A 58 3.975 6.315 -19.767 1.00 2.93 H new ATOM 0 HD2 PRO A 58 4.423 6.948 -17.167 1.00 2.84 H new ATOM 0 HD3 PRO A 58 2.864 7.237 -17.913 1.00 2.84 H new ATOM 647 N MET A 59 3.122 1.812 -17.223 1.00 2.35 N ATOM 648 CA MET A 59 3.853 0.631 -16.792 1.00 2.23 C ATOM 649 C MET A 59 5.142 0.474 -17.597 1.00 2.37 C ATOM 650 O MET A 59 5.190 0.828 -18.777 1.00 2.52 O ATOM 651 CB MET A 59 2.971 -0.615 -16.932 1.00 2.17 C ATOM 652 CG MET A 59 3.636 -1.904 -16.466 1.00 2.10 C ATOM 653 SD MET A 59 4.307 -1.780 -14.795 1.00 1.99 S ATOM 654 CE MET A 59 4.877 -3.459 -14.538 1.00 1.73 C ATOM 0 H MET A 59 2.230 1.614 -17.676 1.00 2.35 H new ATOM 0 HA MET A 59 4.122 0.750 -15.742 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.055 -0.464 -16.361 1.00 2.17 H new ATOM 0 HB3 MET A 59 2.681 -0.726 -17.977 1.00 2.17 H new ATOM 0 HG2 MET A 59 2.909 -2.716 -16.502 1.00 2.10 H new ATOM 0 HG3 MET A 59 4.438 -2.164 -17.157 1.00 2.10 H new ATOM 0 HE1 MET A 59 4.485 -3.836 -13.593 1.00 1.73 H new ATOM 0 HE2 MET A 59 4.527 -4.091 -15.354 1.00 1.73 H new ATOM 0 HE3 MET A 59 5.967 -3.473 -14.510 1.00 1.73 H new ATOM 664 N ASN A 60 6.180 -0.032 -16.933 1.00 2.55 N ATOM 665 CA ASN A 60 7.500 -0.261 -17.541 1.00 2.74 C ATOM 666 C ASN A 60 8.296 1.033 -17.706 1.00 2.80 C ATOM 667 O ASN A 60 9.335 1.043 -18.367 1.00 2.93 O ATOM 668 CB ASN A 60 7.393 -0.982 -18.894 1.00 3.07 C ATOM 669 CG ASN A 60 7.341 -2.491 -18.748 1.00 3.37 C ATOM 670 OD1 ASN A 60 6.265 -3.082 -18.657 1.00 3.65 O ATOM 671 ND2 ASN A 60 8.505 -3.122 -18.728 1.00 3.50 N ATOM 0 H ASN A 60 6.133 -0.298 -15.950 1.00 2.55 H new ATOM 0 HA ASN A 60 8.039 -0.905 -16.846 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.498 -0.640 -19.414 1.00 3.07 H new ATOM 0 HB3 ASN A 60 8.246 -0.710 -19.515 1.00 3.07 H new ATOM 0 HD21 ASN A 60 8.533 -4.137 -18.634 1.00 3.50 H new ATOM 0 HD22 ASN A 60 9.373 -2.593 -18.806 1.00 3.50 H new ATOM 678 N SER A 61 7.821 2.121 -17.117 1.00 2.74 N ATOM 679 CA SER A 61 8.540 3.385 -17.201 1.00 2.82 C ATOM 680 C SER A 61 9.506 3.494 -16.027 1.00 2.72 C ATOM 681 O SER A 61 10.449 4.286 -16.044 1.00 2.87 O ATOM 682 CB SER A 61 7.570 4.570 -17.205 1.00 2.82 C ATOM 683 OG SER A 61 6.847 4.644 -15.989 1.00 2.71 O ATOM 0 H SER A 61 6.953 2.156 -16.583 1.00 2.74 H new ATOM 0 HA SER A 61 9.099 3.410 -18.136 1.00 2.82 H new ATOM 0 HB2 SER A 61 8.124 5.496 -17.359 1.00 2.82 H new ATOM 0 HB3 SER A 61 6.875 4.472 -18.039 1.00 2.82 H new ATOM 0 HG SER A 61 6.162 3.943 -15.973 1.00 2.71 H new ATOM 689 N LEU A 62 9.262 2.673 -15.011 1.00 2.52 N ATOM 690 CA LEU A 62 10.088 2.643 -13.818 1.00 2.44 C ATOM 691 C LEU A 62 10.610 1.234 -13.579 1.00 2.42 C ATOM 692 O LEU A 62 9.954 0.252 -13.931 1.00 2.36 O ATOM 693 CB LEU A 62 9.287 3.096 -12.590 1.00 2.21 C ATOM 694 CG LEU A 62 8.655 4.485 -12.688 1.00 2.26 C ATOM 695 CD1 LEU A 62 7.780 4.756 -11.475 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.728 5.554 -12.817 1.00 2.43 C ATOM 0 H LEU A 62 8.486 2.012 -14.995 1.00 2.52 H new ATOM 0 HA LEU A 62 10.924 3.325 -13.969 1.00 2.44 H new ATOM 0 HB2 LEU A 62 8.496 2.369 -12.406 1.00 2.21 H new ATOM 0 HB3 LEU A 62 9.946 3.077 -11.722 1.00 2.21 H new ATOM 0 HG LEU A 62 8.031 4.516 -13.581 1.00 2.26 H new ATOM 0 HD11 LEU A 62 7.338 5.749 -11.560 1.00 2.10 H new ATOM 0 HD12 LEU A 62 6.988 4.009 -11.423 1.00 2.10 H new ATOM 0 HD13 LEU A 62 8.386 4.705 -10.570 1.00 2.10 H new ATOM 0 HD21 LEU A 62 9.258 6.535 -12.885 1.00 2.43 H new ATOM 0 HD22 LEU A 62 10.379 5.524 -11.943 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.318 5.371 -13.715 1.00 2.43 H new ATOM 708 N ARG A 63 11.790 1.137 -12.992 1.00 2.50 N ATOM 709 CA ARG A 63 12.384 -0.153 -12.686 1.00 2.52 C ATOM 710 C ARG A 63 12.596 -0.282 -11.186 1.00 2.38 C ATOM 711 O ARG A 63 13.158 0.609 -10.544 1.00 2.41 O ATOM 712 CB ARG A 63 13.707 -0.353 -13.436 1.00 2.78 C ATOM 713 CG ARG A 63 14.802 0.632 -13.061 1.00 2.88 C ATOM 714 CD ARG A 63 16.092 0.331 -13.805 1.00 3.08 C ATOM 715 NE ARG A 63 17.164 1.243 -13.422 1.00 3.22 N ATOM 716 CZ ARG A 63 17.424 2.395 -14.038 1.00 3.35 C ATOM 717 NH1 ARG A 63 16.726 2.761 -15.107 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.403 3.172 -13.594 1.00 3.47 N ATOM 0 H ARG A 63 12.357 1.939 -12.717 1.00 2.50 H new ATOM 0 HA ARG A 63 11.697 -0.932 -13.018 1.00 2.52 H new ATOM 0 HB2 ARG A 63 14.067 -1.365 -13.248 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.518 -0.276 -14.507 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.476 1.647 -13.290 1.00 2.88 H new ATOM 0 HG3 ARG A 63 14.981 0.589 -11.987 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.398 -0.695 -13.602 1.00 3.08 H new ATOM 0 HD3 ARG A 63 15.918 0.405 -14.879 1.00 3.08 H new ATOM 0 HE ARG A 63 17.753 0.982 -12.631 1.00 3.22 H new ATOM 0 HH11 ARG A 63 15.984 2.158 -15.463 1.00 3.39 H new ATOM 0 HH12 ARG A 63 16.932 3.645 -15.572 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.953 2.886 -12.784 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.606 4.055 -14.063 1.00 3.47 H new ATOM 732 N PHE A 64 12.115 -1.376 -10.627 1.00 2.24 N ATOM 733 CA PHE A 64 12.250 -1.624 -9.203 1.00 2.11 C ATOM 734 C PHE A 64 13.464 -2.500 -8.945 1.00 2.29 C ATOM 735 O PHE A 64 13.655 -3.514 -9.616 1.00 2.40 O ATOM 736 CB PHE A 64 10.985 -2.278 -8.655 1.00 1.87 C ATOM 737 CG PHE A 64 9.818 -1.332 -8.558 1.00 1.69 C ATOM 738 CD1 PHE A 64 9.037 -1.053 -9.670 1.00 1.73 C ATOM 739 CD2 PHE A 64 9.506 -0.717 -7.356 1.00 1.54 C ATOM 740 CE1 PHE A 64 7.967 -0.182 -9.582 1.00 1.64 C ATOM 741 CE2 PHE A 64 8.437 0.153 -7.264 1.00 1.43 C ATOM 742 CZ PHE A 64 7.668 0.421 -8.380 1.00 1.49 C ATOM 0 H PHE A 64 11.625 -2.110 -11.139 1.00 2.24 H new ATOM 0 HA PHE A 64 12.390 -0.673 -8.688 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.711 -3.116 -9.295 1.00 1.87 H new ATOM 0 HB3 PHE A 64 11.195 -2.687 -7.667 1.00 1.87 H new ATOM 0 HD1 PHE A 64 9.267 -1.522 -10.615 1.00 1.73 H new ATOM 0 HD2 PHE A 64 10.106 -0.920 -6.481 1.00 1.54 H new ATOM 0 HE1 PHE A 64 7.366 0.026 -10.455 1.00 1.64 H new ATOM 0 HE2 PHE A 64 8.203 0.623 -6.320 1.00 1.43 H new ATOM 0 HZ PHE A 64 6.833 1.103 -8.310 1.00 1.49 H new ATOM 752 N LEU A 65 14.275 -2.103 -7.979 1.00 2.35 N ATOM 753 CA LEU A 65 15.485 -2.837 -7.648 1.00 2.54 C ATOM 754 C LEU A 65 15.384 -3.478 -6.270 1.00 2.45 C ATOM 755 O LEU A 65 14.882 -2.875 -5.321 1.00 2.29 O ATOM 756 CB LEU A 65 16.704 -1.912 -7.694 1.00 2.77 C ATOM 757 CG LEU A 65 16.913 -1.161 -9.012 1.00 2.97 C ATOM 758 CD1 LEU A 65 18.102 -0.224 -8.902 1.00 3.16 C ATOM 759 CD2 LEU A 65 17.113 -2.135 -10.163 1.00 3.20 C ATOM 0 H LEU A 65 14.117 -1.273 -7.408 1.00 2.35 H new ATOM 0 HA LEU A 65 15.603 -3.627 -8.390 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.614 -1.181 -6.890 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.596 -2.504 -7.488 1.00 2.77 H new ATOM 0 HG LEU A 65 16.019 -0.571 -9.215 1.00 2.97 H new ATOM 0 HD11 LEU A 65 18.238 0.303 -9.846 1.00 3.16 H new ATOM 0 HD12 LEU A 65 17.923 0.499 -8.106 1.00 3.16 H new ATOM 0 HD13 LEU A 65 18.999 -0.800 -8.675 1.00 3.16 H new ATOM 0 HD21 LEU A 65 17.259 -1.579 -11.089 1.00 3.20 H new ATOM 0 HD22 LEU A 65 17.989 -2.753 -9.968 1.00 3.20 H new ATOM 0 HD23 LEU A 65 16.234 -2.772 -10.258 1.00 3.20 H new ATOM 771 N PHE A 66 15.865 -4.704 -6.188 1.00 2.57 N ATOM 772 CA PHE A 66 15.874 -5.472 -4.958 1.00 2.54 C ATOM 773 C PHE A 66 17.207 -6.199 -4.852 1.00 2.84 C ATOM 774 O PHE A 66 17.484 -7.118 -5.632 1.00 2.97 O ATOM 775 CB PHE A 66 14.708 -6.465 -4.954 1.00 2.37 C ATOM 776 CG PHE A 66 14.582 -7.280 -3.694 1.00 2.35 C ATOM 777 CD1 PHE A 66 13.907 -6.776 -2.593 1.00 2.20 C ATOM 778 CD2 PHE A 66 15.126 -8.552 -3.617 1.00 2.54 C ATOM 779 CE1 PHE A 66 13.782 -7.523 -1.440 1.00 2.24 C ATOM 780 CE2 PHE A 66 15.003 -9.304 -2.464 1.00 2.56 C ATOM 781 CZ PHE A 66 14.330 -8.788 -1.375 1.00 2.42 C ATOM 0 H PHE A 66 16.265 -5.201 -6.984 1.00 2.57 H new ATOM 0 HA PHE A 66 15.754 -4.812 -4.099 1.00 2.54 H new ATOM 0 HB2 PHE A 66 13.780 -5.915 -5.110 1.00 2.37 H new ATOM 0 HB3 PHE A 66 14.823 -7.143 -5.800 1.00 2.37 H new ATOM 0 HD1 PHE A 66 13.474 -5.788 -2.638 1.00 2.20 H new ATOM 0 HD2 PHE A 66 15.652 -8.960 -4.467 1.00 2.54 H new ATOM 0 HE1 PHE A 66 13.255 -7.118 -0.588 1.00 2.24 H new ATOM 0 HE2 PHE A 66 15.433 -10.294 -2.415 1.00 2.56 H new ATOM 0 HZ PHE A 66 14.232 -9.374 -0.473 1.00 2.42 H new ATOM 791 N GLU A 67 18.034 -5.762 -3.908 1.00 2.95 N ATOM 792 CA GLU A 67 19.357 -6.342 -3.687 1.00 3.25 C ATOM 793 C GLU A 67 20.260 -6.114 -4.897 1.00 3.44 C ATOM 794 O GLU A 67 21.118 -6.938 -5.212 1.00 3.64 O ATOM 795 CB GLU A 67 19.267 -7.838 -3.363 1.00 3.32 C ATOM 796 CG GLU A 67 18.784 -8.121 -1.954 1.00 3.20 C ATOM 797 CD GLU A 67 19.109 -9.527 -1.506 1.00 3.33 C ATOM 798 OE1 GLU A 67 20.243 -9.763 -1.040 1.00 3.62 O ATOM 799 OE2 GLU A 67 18.229 -10.408 -1.609 1.00 3.33 O ATOM 0 H GLU A 67 17.807 -4.996 -3.274 1.00 2.95 H new ATOM 0 HA GLU A 67 19.795 -5.837 -2.826 1.00 3.25 H new ATOM 0 HB2 GLU A 67 18.592 -8.316 -4.073 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.248 -8.292 -3.501 1.00 3.32 H new ATOM 0 HG2 GLU A 67 19.240 -7.409 -1.266 1.00 3.20 H new ATOM 0 HG3 GLU A 67 17.706 -7.967 -1.904 1.00 3.20 H new ATOM 806 N GLY A 68 20.051 -4.995 -5.581 1.00 3.41 N ATOM 807 CA GLY A 68 20.863 -4.667 -6.736 1.00 3.61 C ATOM 808 C GLY A 68 20.242 -5.109 -8.047 1.00 3.59 C ATOM 809 O GLY A 68 20.436 -4.466 -9.080 1.00 3.75 O ATOM 0 H GLY A 68 19.332 -4.308 -5.355 1.00 3.41 H new ATOM 0 HA2 GLY A 68 21.026 -3.590 -6.763 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.842 -5.135 -6.629 1.00 3.61 H new ATOM 813 N GLN A 69 19.494 -6.205 -8.009 1.00 3.41 N ATOM 814 CA GLN A 69 18.852 -6.734 -9.207 1.00 3.39 C ATOM 815 C GLN A 69 17.491 -6.088 -9.409 1.00 3.13 C ATOM 816 O GLN A 69 16.924 -5.526 -8.476 1.00 2.88 O ATOM 817 CB GLN A 69 18.685 -8.250 -9.105 1.00 3.42 C ATOM 818 CG GLN A 69 19.923 -8.979 -8.615 1.00 3.76 C ATOM 819 CD GLN A 69 19.720 -10.478 -8.539 1.00 4.25 C ATOM 820 OE1 GLN A 69 18.597 -10.961 -8.379 1.00 4.42 O ATOM 821 NE2 GLN A 69 20.805 -11.227 -8.639 1.00 4.67 N ATOM 0 H GLN A 69 19.317 -6.745 -7.162 1.00 3.41 H new ATOM 0 HA GLN A 69 19.490 -6.503 -10.060 1.00 3.39 H new ATOM 0 HB2 GLN A 69 17.857 -8.469 -8.431 1.00 3.42 H new ATOM 0 HB3 GLN A 69 18.410 -8.641 -10.085 1.00 3.42 H new ATOM 0 HG2 GLN A 69 20.757 -8.762 -9.282 1.00 3.76 H new ATOM 0 HG3 GLN A 69 20.197 -8.602 -7.630 1.00 3.76 H new ATOM 0 HE21 GLN A 69 21.717 -10.789 -8.771 1.00 4.67 H new ATOM 0 HE22 GLN A 69 20.730 -12.243 -8.584 1.00 4.67 H new ATOM 830 N ARG A 70 16.961 -6.171 -10.618 1.00 3.20 N ATOM 831 CA ARG A 70 15.660 -5.586 -10.906 1.00 2.98 C ATOM 832 C ARG A 70 14.558 -6.626 -10.747 1.00 2.82 C ATOM 833 O ARG A 70 14.748 -7.803 -11.056 1.00 2.96 O ATOM 834 CB ARG A 70 15.624 -4.963 -12.306 1.00 3.12 C ATOM 835 CG ARG A 70 16.199 -5.845 -13.401 1.00 3.34 C ATOM 836 CD ARG A 70 16.086 -5.178 -14.762 1.00 3.51 C ATOM 837 NE ARG A 70 14.695 -5.016 -15.183 1.00 3.29 N ATOM 838 CZ ARG A 70 14.182 -3.886 -15.673 1.00 3.31 C ATOM 839 NH1 ARG A 70 14.938 -2.800 -15.805 1.00 3.55 N ATOM 840 NH2 ARG A 70 12.908 -3.844 -16.034 1.00 3.17 N ATOM 0 H ARG A 70 17.406 -6.634 -11.411 1.00 3.20 H new ATOM 0 HA ARG A 70 15.486 -4.787 -10.186 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.591 -4.721 -12.556 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.176 -4.023 -12.286 1.00 3.12 H new ATOM 0 HG2 ARG A 70 17.245 -6.061 -13.185 1.00 3.34 H new ATOM 0 HG3 ARG A 70 15.673 -6.799 -13.416 1.00 3.34 H new ATOM 0 HD2 ARG A 70 16.570 -4.202 -14.728 1.00 3.51 H new ATOM 0 HD3 ARG A 70 16.621 -5.773 -15.502 1.00 3.51 H new ATOM 0 HE ARG A 70 14.075 -5.821 -15.096 1.00 3.29 H new ATOM 0 HH11 ARG A 70 15.920 -2.826 -15.531 1.00 3.55 H new ATOM 0 HH12 ARG A 70 14.536 -1.941 -16.181 1.00 3.55 H new ATOM 0 HH21 ARG A 70 12.323 -4.674 -15.937 1.00 3.17 H new ATOM 0 HH22 ARG A 70 12.512 -2.982 -16.409 1.00 3.17 H new ATOM 854 N ILE A 71 13.415 -6.184 -10.248 1.00 2.55 N ATOM 855 CA ILE A 71 12.275 -7.061 -10.020 1.00 2.38 C ATOM 856 C ILE A 71 11.523 -7.359 -11.311 1.00 2.44 C ATOM 857 O ILE A 71 11.039 -6.446 -11.987 1.00 2.40 O ATOM 858 CB ILE A 71 11.302 -6.441 -8.992 1.00 2.07 C ATOM 859 CG1 ILE A 71 11.951 -6.396 -7.607 1.00 2.04 C ATOM 860 CG2 ILE A 71 9.991 -7.212 -8.943 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.331 -7.758 -7.068 1.00 2.17 C ATOM 0 H ILE A 71 13.250 -5.211 -9.990 1.00 2.55 H new ATOM 0 HA ILE A 71 12.670 -7.998 -9.627 1.00 2.38 H new ATOM 0 HB ILE A 71 11.079 -5.422 -9.308 1.00 2.07 H new ATOM 0 HG12 ILE A 71 12.843 -5.772 -7.654 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.264 -5.918 -6.909 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.326 -6.753 -8.211 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.519 -7.191 -9.925 1.00 1.92 H new ATOM 0 HG23 ILE A 71 10.187 -8.245 -8.657 1.00 1.92 H new ATOM 0 HD11 ILE A 71 12.785 -7.646 -6.083 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.439 -8.379 -6.988 1.00 2.17 H new ATOM 0 HD13 ILE A 71 13.043 -8.231 -7.744 1.00 2.17 H new ATOM 873 N ALA A 72 11.425 -8.638 -11.644 1.00 2.56 N ATOM 874 CA ALA A 72 10.718 -9.066 -12.840 1.00 2.64 C ATOM 875 C ALA A 72 9.246 -9.292 -12.519 1.00 2.42 C ATOM 876 O ALA A 72 8.885 -9.546 -11.368 1.00 2.27 O ATOM 877 CB ALA A 72 11.343 -10.327 -13.413 1.00 2.89 C ATOM 0 H ALA A 72 11.829 -9.400 -11.099 1.00 2.56 H new ATOM 0 HA ALA A 72 10.797 -8.282 -13.593 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.798 -10.629 -14.307 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.384 -10.132 -13.671 1.00 2.89 H new ATOM 0 HB3 ALA A 72 11.296 -11.125 -12.672 1.00 2.89 H new ATOM 883 N ASP A 73 8.404 -9.224 -13.539 1.00 2.44 N ATOM 884 CA ASP A 73 6.960 -9.396 -13.368 1.00 2.28 C ATOM 885 C ASP A 73 6.598 -10.832 -12.996 1.00 2.31 C ATOM 886 O ASP A 73 5.538 -11.088 -12.421 1.00 2.17 O ATOM 887 CB ASP A 73 6.225 -9.006 -14.652 1.00 2.32 C ATOM 888 CG ASP A 73 6.275 -7.518 -14.942 1.00 2.24 C ATOM 889 OD1 ASP A 73 6.932 -6.773 -14.188 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.658 -7.084 -15.937 1.00 2.18 O ATOM 0 H ASP A 73 8.693 -9.050 -14.502 1.00 2.44 H new ATOM 0 HA ASP A 73 6.652 -8.744 -12.551 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.661 -9.548 -15.491 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.184 -9.320 -14.576 1.00 2.32 H new ATOM 895 N ASN A 74 7.477 -11.767 -13.317 1.00 2.53 N ATOM 896 CA ASN A 74 7.232 -13.178 -13.028 1.00 2.61 C ATOM 897 C ASN A 74 7.871 -13.601 -11.708 1.00 2.56 C ATOM 898 O ASN A 74 7.904 -14.788 -11.377 1.00 2.62 O ATOM 899 CB ASN A 74 7.771 -14.047 -14.164 1.00 2.89 C ATOM 900 CG ASN A 74 9.286 -14.006 -14.256 1.00 3.10 C ATOM 901 OD1 ASN A 74 9.863 -13.007 -14.684 1.00 3.20 O ATOM 902 ND2 ASN A 74 9.936 -15.091 -13.868 1.00 3.29 N ATOM 0 H ASN A 74 8.367 -11.579 -13.778 1.00 2.53 H new ATOM 0 HA ASN A 74 6.154 -13.316 -12.941 1.00 2.61 H new ATOM 0 HB2 ASN A 74 7.447 -15.077 -14.015 1.00 2.89 H new ATOM 0 HB3 ASN A 74 7.343 -13.711 -15.109 1.00 2.89 H new ATOM 0 HD21 ASN A 74 10.954 -15.121 -13.918 1.00 3.29 H new ATOM 0 HD22 ASN A 74 9.419 -15.898 -13.519 1.00 3.29 H new ATOM 909 N HIS A 75 8.376 -12.638 -10.953 1.00 2.48 N ATOM 910 CA HIS A 75 9.012 -12.936 -9.676 1.00 2.46 C ATOM 911 C HIS A 75 7.991 -12.883 -8.550 1.00 2.21 C ATOM 912 O HIS A 75 6.975 -12.190 -8.651 1.00 2.00 O ATOM 913 CB HIS A 75 10.171 -11.970 -9.408 1.00 2.47 C ATOM 914 CG HIS A 75 11.410 -12.289 -10.196 1.00 2.75 C ATOM 915 ND1 HIS A 75 12.640 -11.697 -9.991 1.00 3.12 N ATOM 916 CD2 HIS A 75 11.588 -13.170 -11.216 1.00 2.97 C ATOM 917 CE1 HIS A 75 13.502 -12.225 -10.870 1.00 3.27 C ATOM 918 NE2 HIS A 75 12.913 -13.124 -11.635 1.00 3.17 N ATOM 0 H HIS A 75 8.359 -11.648 -11.199 1.00 2.48 H new ATOM 0 HA HIS A 75 9.420 -13.946 -9.721 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.850 -10.955 -9.645 1.00 2.47 H new ATOM 0 HB3 HIS A 75 10.411 -11.989 -8.345 1.00 2.47 H new ATOM 0 HD2 HIS A 75 10.821 -13.805 -11.635 1.00 2.97 H new ATOM 0 HE1 HIS A 75 14.544 -11.950 -10.943 1.00 3.27 H new ATOM 0 HE2 HIS A 75 13.341 -13.673 -12.381 1.00 3.17 H new ATOM 926 N THR A 76 8.254 -13.623 -7.488 1.00 2.27 N ATOM 927 CA THR A 76 7.357 -13.675 -6.346 1.00 2.09 C ATOM 928 C THR A 76 8.075 -13.275 -5.057 1.00 2.05 C ATOM 929 O THR A 76 9.302 -13.288 -5.001 1.00 2.19 O ATOM 930 CB THR A 76 6.781 -15.092 -6.181 1.00 2.22 C ATOM 931 OG1 THR A 76 7.812 -16.072 -6.381 1.00 2.32 O ATOM 932 CG2 THR A 76 5.648 -15.337 -7.162 1.00 2.53 C ATOM 0 H THR A 76 9.089 -14.201 -7.392 1.00 2.27 H new ATOM 0 HA THR A 76 6.549 -12.968 -6.533 1.00 2.09 H new ATOM 0 HB THR A 76 6.388 -15.180 -5.168 1.00 2.22 H new ATOM 0 HG1 THR A 76 8.321 -15.851 -7.189 1.00 2.32 H new ATOM 0 HG21 THR A 76 5.259 -16.346 -7.024 1.00 2.53 H new ATOM 0 HG22 THR A 76 4.852 -14.614 -6.986 1.00 2.53 H new ATOM 0 HG23 THR A 76 6.019 -15.227 -8.181 1.00 2.53 H new ATOM 940 N PRO A 77 7.319 -12.905 -4.002 1.00 1.92 N ATOM 941 CA PRO A 77 7.897 -12.524 -2.707 1.00 1.92 C ATOM 942 C PRO A 77 8.536 -13.716 -1.997 1.00 2.13 C ATOM 943 O PRO A 77 9.334 -13.553 -1.071 1.00 2.21 O ATOM 944 CB PRO A 77 6.695 -12.011 -1.898 1.00 1.76 C ATOM 945 CG PRO A 77 5.597 -11.815 -2.889 1.00 1.66 C ATOM 946 CD PRO A 77 5.849 -12.803 -3.987 1.00 1.81 C ATOM 0 HA PRO A 77 8.690 -11.785 -2.821 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.406 -12.728 -1.129 1.00 1.76 H new ATOM 0 HB3 PRO A 77 6.935 -11.077 -1.389 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.623 -11.982 -2.430 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.597 -10.795 -3.274 1.00 1.66 H new ATOM 0 HD2 PRO A 77 5.379 -13.765 -3.782 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.458 -12.454 -4.943 1.00 1.81 H new ATOM 954 N LYS A 78 8.167 -14.917 -2.432 1.00 2.23 N ATOM 955 CA LYS A 78 8.697 -16.142 -1.855 1.00 2.44 C ATOM 956 C LYS A 78 10.153 -16.342 -2.267 1.00 2.61 C ATOM 957 O LYS A 78 10.996 -16.710 -1.448 1.00 2.76 O ATOM 958 CB LYS A 78 7.852 -17.342 -2.295 1.00 2.48 C ATOM 959 CG LYS A 78 8.354 -18.685 -1.781 1.00 2.66 C ATOM 960 CD LYS A 78 8.398 -18.734 -0.261 1.00 2.76 C ATOM 961 CE LYS A 78 7.005 -18.750 0.349 1.00 2.73 C ATOM 962 NZ LYS A 78 7.060 -18.784 1.833 1.00 2.92 N ATOM 0 H LYS A 78 7.498 -15.065 -3.188 1.00 2.23 H new ATOM 0 HA LYS A 78 8.654 -16.060 -0.769 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.828 -17.195 -1.953 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.823 -17.371 -3.384 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.706 -19.480 -2.151 1.00 2.66 H new ATOM 0 HG3 LYS A 78 9.351 -18.876 -2.179 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.943 -19.622 0.057 1.00 2.76 H new ATOM 0 HD3 LYS A 78 8.948 -17.871 0.114 1.00 2.76 H new ATOM 0 HE2 LYS A 78 6.455 -17.867 0.025 1.00 2.73 H new ATOM 0 HE3 LYS A 78 6.457 -19.619 -0.016 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 6.093 -18.794 2.216 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 7.564 -19.640 2.142 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 7.561 -17.942 2.181 1.00 2.92 H new ATOM 976 N GLU A 79 10.442 -16.081 -3.536 1.00 2.62 N ATOM 977 CA GLU A 79 11.792 -16.234 -4.054 1.00 2.81 C ATOM 978 C GLU A 79 12.613 -14.981 -3.766 1.00 2.76 C ATOM 979 O GLU A 79 12.090 -14.009 -3.218 1.00 2.60 O ATOM 980 CB GLU A 79 11.756 -16.510 -5.561 1.00 2.89 C ATOM 981 CG GLU A 79 11.184 -15.363 -6.383 1.00 2.73 C ATOM 982 CD GLU A 79 10.976 -15.730 -7.834 1.00 2.84 C ATOM 983 OE1 GLU A 79 11.972 -15.937 -8.554 1.00 3.18 O ATOM 984 OE2 GLU A 79 9.806 -15.821 -8.264 1.00 2.70 O ATOM 0 H GLU A 79 9.759 -15.763 -4.223 1.00 2.62 H new ATOM 0 HA GLU A 79 12.262 -17.082 -3.556 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.768 -16.723 -5.906 1.00 2.89 H new ATOM 0 HB3 GLU A 79 11.162 -17.406 -5.743 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.233 -15.052 -5.952 1.00 2.73 H new ATOM 0 HG3 GLU A 79 11.857 -14.507 -6.322 1.00 2.73 H new ATOM 991 N LEU A 80 13.900 -15.028 -4.120 1.00 2.91 N ATOM 992 CA LEU A 80 14.835 -13.910 -3.930 1.00 2.90 C ATOM 993 C LEU A 80 15.221 -13.733 -2.460 1.00 2.89 C ATOM 994 O LEU A 80 16.389 -13.504 -2.139 1.00 3.04 O ATOM 995 CB LEU A 80 14.255 -12.601 -4.485 1.00 2.74 C ATOM 996 CG LEU A 80 13.984 -12.600 -5.992 1.00 2.80 C ATOM 997 CD1 LEU A 80 13.033 -11.472 -6.362 1.00 2.70 C ATOM 998 CD2 LEU A 80 15.287 -12.480 -6.766 1.00 2.94 C ATOM 0 H LEU A 80 14.328 -15.848 -4.550 1.00 2.91 H new ATOM 0 HA LEU A 80 15.739 -14.156 -4.488 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.323 -12.385 -3.963 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.945 -11.789 -4.255 1.00 2.74 H new ATOM 0 HG LEU A 80 13.512 -13.546 -6.259 1.00 2.80 H new ATOM 0 HD11 LEU A 80 12.852 -11.487 -7.437 1.00 2.70 H new ATOM 0 HD12 LEU A 80 12.089 -11.604 -5.833 1.00 2.70 H new ATOM 0 HD13 LEU A 80 13.476 -10.516 -6.082 1.00 2.70 H new ATOM 0 HD21 LEU A 80 15.076 -12.481 -7.835 1.00 2.94 H new ATOM 0 HD22 LEU A 80 15.787 -11.550 -6.495 1.00 2.94 H new ATOM 0 HD23 LEU A 80 15.934 -13.323 -6.523 1.00 2.94 H new ATOM 1010 N GLY A 81 14.241 -13.840 -1.576 1.00 2.76 N ATOM 1011 CA GLY A 81 14.493 -13.688 -0.159 1.00 2.76 C ATOM 1012 C GLY A 81 13.949 -12.379 0.367 1.00 2.56 C ATOM 1013 O GLY A 81 14.678 -11.594 0.972 1.00 2.57 O ATOM 0 H GLY A 81 13.269 -14.031 -1.818 1.00 2.76 H new ATOM 0 HA2 GLY A 81 14.036 -14.516 0.383 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.566 -13.738 0.028 1.00 2.76 H new ATOM 1017 N MET A 82 12.670 -12.145 0.130 1.00 2.41 N ATOM 1018 CA MET A 82 12.019 -10.921 0.572 1.00 2.23 C ATOM 1019 C MET A 82 11.430 -11.113 1.963 1.00 2.23 C ATOM 1020 O MET A 82 10.509 -11.908 2.157 1.00 2.28 O ATOM 1021 CB MET A 82 10.924 -10.514 -0.415 1.00 2.05 C ATOM 1022 CG MET A 82 10.253 -9.195 -0.071 1.00 2.27 C ATOM 1023 SD MET A 82 9.063 -8.679 -1.327 1.00 2.05 S ATOM 1024 CE MET A 82 10.133 -8.489 -2.751 1.00 2.01 C ATOM 0 H MET A 82 12.057 -12.790 -0.369 1.00 2.41 H new ATOM 0 HA MET A 82 12.763 -10.125 0.612 1.00 2.23 H new ATOM 0 HB2 MET A 82 11.355 -10.443 -1.414 1.00 2.05 H new ATOM 0 HB3 MET A 82 10.168 -11.298 -0.449 1.00 2.05 H new ATOM 0 HG2 MET A 82 9.746 -9.288 0.889 1.00 2.27 H new ATOM 0 HG3 MET A 82 11.014 -8.423 0.044 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.669 -7.810 -3.467 1.00 2.01 H new ATOM 0 HE2 MET A 82 11.093 -8.081 -2.433 1.00 2.01 H new ATOM 0 HE3 MET A 82 10.289 -9.460 -3.221 1.00 2.01 H new ATOM 1034 N GLU A 83 11.954 -10.371 2.923 1.00 2.20 N ATOM 1035 CA GLU A 83 11.496 -10.476 4.299 1.00 2.22 C ATOM 1036 C GLU A 83 10.596 -9.307 4.675 1.00 2.07 C ATOM 1037 O GLU A 83 10.293 -8.446 3.848 1.00 1.91 O ATOM 1038 CB GLU A 83 12.693 -10.530 5.248 1.00 2.42 C ATOM 1039 CG GLU A 83 13.520 -11.796 5.111 1.00 2.73 C ATOM 1040 CD GLU A 83 14.459 -12.001 6.277 1.00 2.98 C ATOM 1041 OE1 GLU A 83 15.568 -11.427 6.264 1.00 2.89 O ATOM 1042 OE2 GLU A 83 14.097 -12.743 7.216 1.00 3.44 O ATOM 0 H GLU A 83 12.698 -9.689 2.776 1.00 2.20 H new ATOM 0 HA GLU A 83 10.917 -11.395 4.389 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.332 -9.667 5.063 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.336 -10.448 6.275 1.00 2.42 H new ATOM 0 HG2 GLU A 83 12.854 -12.655 5.030 1.00 2.73 H new ATOM 0 HG3 GLU A 83 14.097 -11.751 4.187 1.00 2.73 H new ATOM 1049 N GLU A 84 10.150 -9.304 5.923 1.00 2.15 N ATOM 1050 CA GLU A 84 9.304 -8.240 6.439 1.00 2.07 C ATOM 1051 C GLU A 84 10.151 -6.985 6.650 1.00 2.08 C ATOM 1052 O GLU A 84 11.312 -7.087 7.061 1.00 2.22 O ATOM 1053 CB GLU A 84 8.646 -8.691 7.751 1.00 2.20 C ATOM 1054 CG GLU A 84 7.826 -7.618 8.443 1.00 2.18 C ATOM 1055 CD GLU A 84 6.603 -7.209 7.651 1.00 2.10 C ATOM 1056 OE1 GLU A 84 5.591 -7.932 7.707 1.00 2.34 O ATOM 1057 OE2 GLU A 84 6.638 -6.153 6.988 1.00 2.01 O ATOM 0 H GLU A 84 10.363 -10.035 6.602 1.00 2.15 H new ATOM 0 HA GLU A 84 8.512 -8.011 5.726 1.00 2.07 H new ATOM 0 HB2 GLU A 84 8.003 -9.546 7.545 1.00 2.20 H new ATOM 0 HB3 GLU A 84 9.423 -9.034 8.434 1.00 2.20 H new ATOM 0 HG2 GLU A 84 7.514 -7.981 9.422 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.452 -6.742 8.613 1.00 2.18 H new ATOM 1064 N GLU A 85 9.572 -5.816 6.371 1.00 1.98 N ATOM 1065 CA GLU A 85 10.282 -4.538 6.495 1.00 2.01 C ATOM 1066 C GLU A 85 11.495 -4.525 5.569 1.00 2.02 C ATOM 1067 O GLU A 85 12.579 -4.064 5.941 1.00 2.18 O ATOM 1068 CB GLU A 85 10.728 -4.280 7.943 1.00 2.22 C ATOM 1069 CG GLU A 85 9.585 -4.148 8.937 1.00 2.32 C ATOM 1070 CD GLU A 85 8.722 -2.929 8.693 1.00 2.36 C ATOM 1071 OE1 GLU A 85 9.214 -1.951 8.098 1.00 2.55 O ATOM 1072 OE2 GLU A 85 7.544 -2.943 9.120 1.00 2.47 O ATOM 0 H GLU A 85 8.606 -5.726 6.055 1.00 1.98 H new ATOM 0 HA GLU A 85 9.594 -3.743 6.208 1.00 2.01 H new ATOM 0 HB2 GLU A 85 11.378 -5.095 8.261 1.00 2.22 H new ATOM 0 HB3 GLU A 85 11.324 -3.368 7.970 1.00 2.22 H new ATOM 0 HG2 GLU A 85 8.963 -5.042 8.887 1.00 2.32 H new ATOM 0 HG3 GLU A 85 9.993 -4.100 9.946 1.00 2.32 H new ATOM 1079 N ASP A 86 11.311 -5.045 4.365 1.00 1.90 N ATOM 1080 CA ASP A 86 12.393 -5.104 3.393 1.00 1.96 C ATOM 1081 C ASP A 86 12.492 -3.803 2.608 1.00 1.88 C ATOM 1082 O ASP A 86 11.628 -2.937 2.717 1.00 1.79 O ATOM 1083 CB ASP A 86 12.201 -6.280 2.440 1.00 1.93 C ATOM 1084 CG ASP A 86 13.506 -6.984 2.145 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.520 -6.291 1.916 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.532 -8.232 2.156 1.00 2.28 O ATOM 0 H ASP A 86 10.425 -5.431 4.038 1.00 1.90 H new ATOM 0 HA ASP A 86 13.325 -5.248 3.940 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.496 -6.989 2.875 1.00 1.93 H new ATOM 0 HB3 ASP A 86 11.761 -5.924 1.508 1.00 1.93 H new ATOM 1091 N VAL A 87 13.535 -3.678 1.802 1.00 1.97 N ATOM 1092 CA VAL A 87 13.755 -2.465 1.027 1.00 1.94 C ATOM 1093 C VAL A 87 13.721 -2.741 -0.473 1.00 1.94 C ATOM 1094 O VAL A 87 14.253 -3.746 -0.946 1.00 2.10 O ATOM 1095 CB VAL A 87 15.108 -1.809 1.383 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.211 -0.411 0.790 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.308 -1.764 2.889 1.00 2.19 C ATOM 0 H VAL A 87 14.242 -4.400 1.667 1.00 1.97 H new ATOM 0 HA VAL A 87 12.943 -1.784 1.282 1.00 1.94 H new ATOM 0 HB VAL A 87 15.899 -2.421 0.949 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.173 0.027 1.056 1.00 2.18 H new ATOM 0 HG12 VAL A 87 15.126 -0.469 -0.295 1.00 2.18 H new ATOM 0 HG13 VAL A 87 14.407 0.211 1.184 1.00 2.18 H new ATOM 0 HG21 VAL A 87 16.267 -1.298 3.115 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.506 -1.184 3.345 1.00 2.19 H new ATOM 0 HG23 VAL A 87 15.294 -2.778 3.288 1.00 2.19 H new ATOM 1107 N ILE A 88 13.086 -1.839 -1.205 1.00 1.78 N ATOM 1108 CA ILE A 88 12.980 -1.939 -2.649 1.00 1.80 C ATOM 1109 C ILE A 88 13.091 -0.538 -3.256 1.00 1.86 C ATOM 1110 O ILE A 88 12.401 0.389 -2.836 1.00 1.79 O ATOM 1111 CB ILE A 88 11.660 -2.633 -3.075 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.518 -2.659 -4.598 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.453 -1.960 -2.435 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.529 -3.693 -5.091 1.00 1.52 C ATOM 0 H ILE A 88 12.629 -1.016 -0.812 1.00 1.78 H new ATOM 0 HA ILE A 88 13.795 -2.559 -3.023 1.00 1.80 H new ATOM 0 HB ILE A 88 11.700 -3.663 -2.720 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.205 -1.674 -4.943 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.493 -2.858 -5.043 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.542 -2.468 -2.752 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.539 -2.014 -1.350 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.412 -0.916 -2.744 1.00 1.44 H new ATOM 0 HD11 ILE A 88 10.477 -3.657 -6.179 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.852 -4.685 -4.775 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.544 -3.482 -4.674 1.00 1.52 H new ATOM 1126 N GLU A 89 13.985 -0.379 -4.217 1.00 2.04 N ATOM 1127 CA GLU A 89 14.197 0.917 -4.846 1.00 2.14 C ATOM 1128 C GLU A 89 13.440 1.028 -6.159 1.00 2.11 C ATOM 1129 O GLU A 89 13.062 0.022 -6.757 1.00 2.11 O ATOM 1130 CB GLU A 89 15.682 1.147 -5.105 1.00 2.41 C ATOM 1131 CG GLU A 89 16.540 1.126 -3.855 1.00 2.43 C ATOM 1132 CD GLU A 89 18.007 1.299 -4.175 1.00 2.68 C ATOM 1133 OE1 GLU A 89 18.459 2.456 -4.301 1.00 2.90 O ATOM 1134 OE2 GLU A 89 18.714 0.278 -4.319 1.00 2.87 O ATOM 0 H GLU A 89 14.575 -1.128 -4.579 1.00 2.04 H new ATOM 0 HA GLU A 89 13.821 1.676 -4.160 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.042 0.382 -5.793 1.00 2.41 H new ATOM 0 HB3 GLU A 89 15.808 2.108 -5.603 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.219 1.921 -3.181 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.392 0.183 -3.329 1.00 2.43 H new ATOM 1141 N VAL A 90 13.223 2.257 -6.600 1.00 2.12 N ATOM 1142 CA VAL A 90 12.534 2.514 -7.852 1.00 2.12 C ATOM 1143 C VAL A 90 13.235 3.638 -8.610 1.00 2.32 C ATOM 1144 O VAL A 90 13.507 4.700 -8.052 1.00 2.36 O ATOM 1145 CB VAL A 90 11.042 2.865 -7.627 1.00 1.93 C ATOM 1146 CG1 VAL A 90 10.889 4.046 -6.677 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.343 3.145 -8.951 1.00 1.94 C ATOM 0 H VAL A 90 13.518 3.098 -6.104 1.00 2.12 H new ATOM 0 HA VAL A 90 12.568 1.601 -8.446 1.00 2.12 H new ATOM 0 HB VAL A 90 10.565 2.000 -7.166 1.00 1.93 H new ATOM 0 HG11 VAL A 90 9.831 4.268 -6.540 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.336 3.799 -5.714 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.391 4.918 -7.097 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.297 3.389 -8.766 1.00 1.94 H new ATOM 0 HG22 VAL A 90 10.829 3.984 -9.448 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.402 2.262 -9.588 1.00 1.94 H new ATOM 1157 N TYR A 91 13.568 3.384 -9.868 1.00 2.46 N ATOM 1158 CA TYR A 91 14.241 4.376 -10.698 1.00 2.66 C ATOM 1159 C TYR A 91 13.568 4.473 -12.059 1.00 2.72 C ATOM 1160 O TYR A 91 12.955 3.513 -12.523 1.00 2.67 O ATOM 1161 CB TYR A 91 15.726 4.029 -10.858 1.00 2.86 C ATOM 1162 CG TYR A 91 16.509 4.155 -9.569 1.00 2.85 C ATOM 1163 CD1 TYR A 91 17.076 5.367 -9.191 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.673 3.063 -8.724 1.00 2.82 C ATOM 1165 CE1 TYR A 91 17.781 5.486 -8.011 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.374 3.176 -7.540 1.00 2.84 C ATOM 1167 CZ TYR A 91 17.927 4.388 -7.189 1.00 2.89 C ATOM 1168 OH TYR A 91 18.627 4.505 -6.011 1.00 2.94 O ATOM 0 H TYR A 91 13.383 2.498 -10.338 1.00 2.46 H new ATOM 0 HA TYR A 91 14.167 5.345 -10.204 1.00 2.66 H new ATOM 0 HB2 TYR A 91 15.816 3.009 -11.232 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.167 4.684 -11.609 1.00 2.86 H new ATOM 0 HD1 TYR A 91 16.963 6.229 -9.831 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.245 2.110 -8.999 1.00 2.82 H new ATOM 0 HE1 TYR A 91 18.216 6.434 -7.732 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.488 2.319 -6.893 1.00 2.84 H new ATOM 0 HH TYR A 91 18.367 3.782 -5.403 1.00 2.94 H new ATOM 1178 N GLN A 92 13.678 5.634 -12.686 1.00 2.84 N ATOM 1179 CA GLN A 92 13.068 5.865 -13.989 1.00 2.93 C ATOM 1180 C GLN A 92 13.902 5.239 -15.098 1.00 3.14 C ATOM 1181 O GLN A 92 15.125 5.376 -15.121 1.00 3.31 O ATOM 1182 CB GLN A 92 12.917 7.364 -14.239 1.00 3.07 C ATOM 1183 CG GLN A 92 12.101 7.697 -15.478 1.00 3.13 C ATOM 1184 CD GLN A 92 12.259 9.139 -15.920 1.00 3.36 C ATOM 1185 OE1 GLN A 92 13.462 9.676 -15.788 1.00 3.44 O flip ATOM 1186 NE2 GLN A 92 11.310 9.762 -16.398 1.00 3.63 N flip ATOM 0 H GLN A 92 14.186 6.435 -12.312 1.00 2.84 H new ATOM 0 HA GLN A 92 12.083 5.398 -13.991 1.00 2.93 H new ATOM 0 HB2 GLN A 92 12.445 7.823 -13.370 1.00 3.07 H new ATOM 0 HB3 GLN A 92 13.907 7.809 -14.336 1.00 3.07 H new ATOM 0 HG2 GLN A 92 12.401 7.038 -16.292 1.00 3.13 H new ATOM 0 HG3 GLN A 92 11.048 7.497 -15.278 1.00 3.13 H new ATOM 0 HE21 GLN A 92 10.397 9.314 -16.484 1.00 3.63 H new ATOM 0 HE22 GLN A 92 11.437 10.725 -16.708 1.00 3.63 H new ATOM 1195 N GLU A 93 13.237 4.552 -16.011 1.00 3.15 N ATOM 1196 CA GLU A 93 13.914 3.920 -17.129 1.00 3.36 C ATOM 1197 C GLU A 93 14.255 4.962 -18.190 1.00 3.61 C ATOM 1198 O GLU A 93 13.481 5.891 -18.430 1.00 3.61 O ATOM 1199 CB GLU A 93 13.036 2.819 -17.731 1.00 3.31 C ATOM 1200 CG GLU A 93 12.801 1.641 -16.795 1.00 3.20 C ATOM 1201 CD GLU A 93 13.978 0.685 -16.747 1.00 3.30 C ATOM 1202 OE1 GLU A 93 15.128 1.151 -16.606 1.00 3.36 O ATOM 1203 OE2 GLU A 93 13.758 -0.542 -16.843 1.00 3.35 O ATOM 0 H GLU A 93 12.226 4.418 -15.999 1.00 3.15 H new ATOM 0 HA GLU A 93 14.838 3.468 -16.769 1.00 3.36 H new ATOM 0 HB2 GLU A 93 12.073 3.247 -18.010 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.502 2.456 -18.647 1.00 3.31 H new ATOM 0 HG2 GLU A 93 12.601 2.015 -15.791 1.00 3.20 H new ATOM 0 HG3 GLU A 93 11.911 1.099 -17.116 1.00 3.20 H new ATOM 1210 N GLN A 94 15.411 4.794 -18.818 1.00 3.83 N ATOM 1211 CA GLN A 94 15.885 5.707 -19.855 1.00 4.09 C ATOM 1212 C GLN A 94 14.936 5.716 -21.052 1.00 4.17 C ATOM 1213 O GLN A 94 14.878 6.685 -21.813 1.00 4.33 O ATOM 1214 CB GLN A 94 17.292 5.289 -20.294 1.00 4.34 C ATOM 1215 CG GLN A 94 17.956 6.255 -21.261 1.00 4.61 C ATOM 1216 CD GLN A 94 19.217 5.682 -21.873 1.00 4.80 C ATOM 1217 OE1 GLN A 94 19.179 5.059 -22.936 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.339 5.877 -21.203 1.00 4.92 N ATOM 0 H GLN A 94 16.048 4.021 -18.624 1.00 3.83 H new ATOM 0 HA GLN A 94 15.916 6.717 -19.447 1.00 4.09 H new ATOM 0 HB2 GLN A 94 17.921 5.188 -19.410 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.238 4.305 -20.761 1.00 4.34 H new ATOM 0 HG2 GLN A 94 17.254 6.511 -22.055 1.00 4.61 H new ATOM 0 HG3 GLN A 94 18.197 7.180 -20.738 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.326 6.399 -20.327 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.219 5.506 -21.562 1.00 4.92 H new ATOM 1227 N THR A 95 14.190 4.636 -21.202 1.00 4.08 N ATOM 1228 CA THR A 95 13.237 4.500 -22.287 1.00 4.17 C ATOM 1229 C THR A 95 12.033 5.409 -22.066 1.00 4.00 C ATOM 1230 O THR A 95 11.415 5.889 -23.018 1.00 4.17 O ATOM 1231 CB THR A 95 12.758 3.045 -22.390 1.00 4.11 C ATOM 1232 OG1 THR A 95 12.541 2.530 -21.069 1.00 3.88 O ATOM 1233 CG2 THR A 95 13.780 2.183 -23.114 1.00 4.41 C ATOM 0 H THR A 95 14.228 3.831 -20.577 1.00 4.08 H new ATOM 0 HA THR A 95 13.735 4.789 -23.212 1.00 4.17 H new ATOM 0 HB THR A 95 11.830 3.021 -22.961 1.00 4.11 H new ATOM 0 HG1 THR A 95 12.233 1.601 -21.126 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.415 1.158 -23.173 1.00 4.41 H new ATOM 0 HG22 THR A 95 13.935 2.571 -24.121 1.00 4.41 H new ATOM 0 HG23 THR A 95 14.723 2.202 -22.568 1.00 4.41 H new ATOM 1241 N GLY A 96 11.714 5.646 -20.800 1.00 3.73 N ATOM 1242 CA GLY A 96 10.583 6.483 -20.460 1.00 3.60 C ATOM 1243 C GLY A 96 9.264 5.753 -20.610 1.00 3.42 C ATOM 1244 O GLY A 96 8.201 6.369 -20.631 1.00 3.37 O ATOM 0 H GLY A 96 12.222 5.270 -19.999 1.00 3.73 H new ATOM 0 HA2 GLY A 96 10.688 6.833 -19.433 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.582 7.366 -21.099 1.00 3.60 H new ATOM 1248 N GLY A 97 9.332 4.434 -20.712 1.00 3.39 N ATOM 1249 CA GLY A 97 8.134 3.639 -20.862 1.00 3.25 C ATOM 1250 C GLY A 97 8.095 2.952 -22.206 1.00 3.46 C ATOM 1251 O GLY A 97 6.992 2.717 -22.736 1.00 3.54 O ATOM 1252 OXT GLY A 97 9.181 2.654 -22.745 1.00 3.68 O ATOM 0 H GLY A 97 10.200 3.899 -20.693 1.00 3.39 H new ATOM 0 HA2 GLY A 97 8.089 2.893 -20.069 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.256 4.276 -20.751 1.00 3.25 H new TER 1256 GLY A 97 ATOM 1257 N LYS B 1 7.209 10.734 7.031 1.00 3.70 N ATOM 1258 CA LYS B 1 6.203 9.669 7.217 1.00 3.56 C ATOM 1259 C LYS B 1 6.132 8.793 5.980 1.00 2.96 C ATOM 1260 O LYS B 1 6.184 9.288 4.855 1.00 3.20 O ATOM 1261 CB LYS B 1 4.822 10.267 7.497 1.00 4.36 C ATOM 1262 CG LYS B 1 4.565 10.540 8.968 1.00 5.08 C ATOM 1263 CD LYS B 1 3.080 10.656 9.269 1.00 5.92 C ATOM 1264 CE LYS B 1 2.392 9.298 9.251 1.00 6.64 C ATOM 1265 NZ LYS B 1 2.725 8.486 10.455 1.00 7.46 N ATOM 0 H1 LYS B 1 6.858 11.620 7.448 1.00 3.70 H new ATOM 0 H2 LYS B 1 8.096 10.459 7.499 1.00 3.70 H new ATOM 0 H3 LYS B 1 7.382 10.874 6.015 1.00 3.70 H new ATOM 0 HA LYS B 1 6.505 9.066 8.073 1.00 3.56 H new ATOM 0 HB2 LYS B 1 4.719 11.198 6.940 1.00 4.36 H new ATOM 0 HB3 LYS B 1 4.058 9.586 7.124 1.00 4.36 H new ATOM 0 HG2 LYS B 1 4.996 9.738 9.567 1.00 5.08 H new ATOM 0 HG3 LYS B 1 5.068 11.462 9.260 1.00 5.08 H new ATOM 0 HD2 LYS B 1 2.942 11.120 10.245 1.00 5.92 H new ATOM 0 HD3 LYS B 1 2.610 11.311 8.535 1.00 5.92 H new ATOM 0 HE2 LYS B 1 1.313 9.439 9.197 1.00 6.64 H new ATOM 0 HE3 LYS B 1 2.688 8.754 8.354 1.00 6.64 H new ATOM 0 HZ1 LYS B 1 2.122 7.639 10.480 1.00 7.46 H new ATOM 0 HZ2 LYS B 1 3.724 8.199 10.415 1.00 7.46 H new ATOM 0 HZ3 LYS B 1 2.561 9.052 11.312 1.00 7.46 H new ATOM 1281 N VAL B 2 6.007 7.496 6.191 1.00 2.52 N ATOM 1282 CA VAL B 2 5.925 6.559 5.090 1.00 2.19 C ATOM 1283 C VAL B 2 4.471 6.222 4.782 1.00 2.16 C ATOM 1284 O VAL B 2 3.779 5.598 5.588 1.00 2.32 O ATOM 1285 CB VAL B 2 6.714 5.261 5.381 1.00 2.29 C ATOM 1286 CG1 VAL B 2 8.209 5.508 5.294 1.00 2.65 C ATOM 1287 CG2 VAL B 2 6.359 4.693 6.746 1.00 2.60 C ATOM 0 H VAL B 2 5.960 7.069 7.116 1.00 2.52 H new ATOM 0 HA VAL B 2 6.376 7.040 4.222 1.00 2.19 H new ATOM 0 HB VAL B 2 6.433 4.530 4.623 1.00 2.29 H new ATOM 0 HG11 VAL B 2 8.744 4.581 5.502 1.00 2.65 H new ATOM 0 HG12 VAL B 2 8.463 5.856 4.293 1.00 2.65 H new ATOM 0 HG13 VAL B 2 8.496 6.264 6.024 1.00 2.65 H new ATOM 0 HG21 VAL B 2 6.930 3.781 6.920 1.00 2.60 H new ATOM 0 HG22 VAL B 2 6.598 5.424 7.518 1.00 2.60 H new ATOM 0 HG23 VAL B 2 5.294 4.466 6.780 1.00 2.60 H new ATOM 1297 N ASP B 3 3.989 6.679 3.637 1.00 2.10 N ATOM 1298 CA ASP B 3 2.623 6.390 3.231 1.00 2.09 C ATOM 1299 C ASP B 3 2.548 4.938 2.797 1.00 1.88 C ATOM 1300 O ASP B 3 3.280 4.522 1.905 1.00 1.83 O ATOM 1301 CB ASP B 3 2.191 7.311 2.091 1.00 2.18 C ATOM 1302 CG ASP B 3 0.702 7.242 1.827 1.00 2.18 C ATOM 1303 OD1 ASP B 3 -0.076 7.773 2.647 1.00 2.50 O ATOM 1304 OD2 ASP B 3 0.300 6.671 0.794 1.00 2.25 O ATOM 0 H ASP B 3 4.519 7.248 2.977 1.00 2.10 H new ATOM 0 HA ASP B 3 1.947 6.563 4.069 1.00 2.09 H new ATOM 0 HB2 ASP B 3 2.467 8.337 2.332 1.00 2.18 H new ATOM 0 HB3 ASP B 3 2.731 7.040 1.184 1.00 2.18 H new ATOM 1309 N VAL B 4 1.686 4.162 3.436 1.00 1.82 N ATOM 1310 CA VAL B 4 1.568 2.755 3.122 1.00 1.66 C ATOM 1311 C VAL B 4 0.480 2.513 2.097 1.00 1.67 C ATOM 1312 O VAL B 4 -0.709 2.618 2.400 1.00 1.80 O ATOM 1313 CB VAL B 4 1.257 1.911 4.373 1.00 1.71 C ATOM 1314 CG1 VAL B 4 1.734 0.485 4.174 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.884 2.507 5.620 1.00 2.04 C ATOM 0 H VAL B 4 1.061 4.487 4.174 1.00 1.82 H new ATOM 0 HA VAL B 4 2.533 2.450 2.717 1.00 1.66 H new ATOM 0 HB VAL B 4 0.176 1.911 4.514 1.00 1.71 H new ATOM 0 HG11 VAL B 4 1.509 -0.102 5.065 1.00 2.13 H new ATOM 0 HG12 VAL B 4 1.227 0.048 3.314 1.00 2.13 H new ATOM 0 HG13 VAL B 4 2.810 0.482 4.000 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.643 1.884 6.482 1.00 2.04 H new ATOM 0 HG22 VAL B 4 2.966 2.553 5.497 1.00 2.04 H new ATOM 0 HG23 VAL B 4 1.494 3.512 5.778 1.00 2.04 H new ATOM 1325 N ILE B 5 0.888 2.202 0.878 1.00 1.55 N ATOM 1326 CA ILE B 5 -0.064 1.919 -0.181 1.00 1.57 C ATOM 1327 C ILE B 5 -0.733 0.579 0.096 1.00 1.50 C ATOM 1328 O ILE B 5 -0.056 -0.417 0.356 1.00 1.31 O ATOM 1329 CB ILE B 5 0.607 1.877 -1.574 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.568 3.058 -1.746 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.450 1.884 -2.671 1.00 1.58 C ATOM 1332 CD1 ILE B 5 2.301 3.064 -3.072 1.00 1.61 C ATOM 0 H ILE B 5 1.867 2.139 0.599 1.00 1.55 H new ATOM 0 HA ILE B 5 -0.799 2.724 -0.193 1.00 1.57 H new ATOM 0 HB ILE B 5 1.182 0.955 -1.652 1.00 1.47 H new ATOM 0 HG12 ILE B 5 1.007 3.988 -1.648 1.00 1.55 H new ATOM 0 HG13 ILE B 5 2.299 3.040 -0.938 1.00 1.55 H new ATOM 0 HG21 ILE B 5 0.037 1.854 -3.646 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -1.095 1.012 -2.561 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -1.050 2.791 -2.593 1.00 1.58 H new ATOM 0 HD11 ILE B 5 2.962 3.930 -3.119 1.00 1.61 H new ATOM 0 HD12 ILE B 5 2.891 2.152 -3.166 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.579 3.115 -3.887 1.00 1.61 H new ATOM 1344 N ASP B 6 -2.057 0.555 0.068 1.00 1.74 N ATOM 1345 CA ASP B 6 -2.791 -0.671 0.342 1.00 1.77 C ATOM 1346 C ASP B 6 -2.833 -1.566 -0.877 1.00 1.63 C ATOM 1347 O ASP B 6 -3.562 -1.297 -1.833 1.00 1.75 O ATOM 1348 CB ASP B 6 -4.226 -0.381 0.775 1.00 2.16 C ATOM 1349 CG ASP B 6 -4.306 0.415 2.064 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -4.290 1.661 2.012 1.00 2.43 O ATOM 1351 OD2 ASP B 6 -4.387 -0.206 3.143 1.00 2.53 O ATOM 0 H ASP B 6 -2.642 1.364 -0.140 1.00 1.74 H new ATOM 0 HA ASP B 6 -2.263 -1.174 1.152 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.735 0.168 -0.017 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -4.759 -1.323 0.902 1.00 2.16 H new ATOM 1356 N LEU B 7 -2.058 -2.629 -0.846 1.00 1.42 N ATOM 1357 CA LEU B 7 -2.053 -3.574 -1.936 1.00 1.32 C ATOM 1358 C LEU B 7 -2.491 -4.928 -1.401 1.00 1.37 C ATOM 1359 O LEU B 7 -2.265 -5.971 -2.009 1.00 1.42 O ATOM 1360 CB LEU B 7 -0.671 -3.659 -2.589 1.00 1.13 C ATOM 1361 CG LEU B 7 -0.656 -3.419 -4.098 1.00 1.41 C ATOM 1362 CD1 LEU B 7 -1.115 -2.006 -4.414 1.00 1.77 C ATOM 1363 CD2 LEU B 7 0.733 -3.667 -4.664 1.00 1.70 C ATOM 0 H LEU B 7 -1.426 -2.858 -0.079 1.00 1.42 H new ATOM 0 HA LEU B 7 -2.747 -3.244 -2.709 1.00 1.32 H new ATOM 0 HB2 LEU B 7 -0.015 -2.930 -2.113 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -0.251 -4.644 -2.388 1.00 1.13 H new ATOM 0 HG LEU B 7 -1.347 -4.120 -4.566 1.00 1.41 H new ATOM 0 HD11 LEU B 7 -1.099 -1.851 -5.493 1.00 1.77 H new ATOM 0 HD12 LEU B 7 -2.129 -1.861 -4.042 1.00 1.77 H new ATOM 0 HD13 LEU B 7 -0.447 -1.291 -3.934 1.00 1.77 H new ATOM 0 HD21 LEU B 7 0.724 -3.491 -5.740 1.00 1.70 H new ATOM 0 HD22 LEU B 7 1.445 -2.990 -4.191 1.00 1.70 H new ATOM 0 HD23 LEU B 7 1.027 -4.698 -4.467 1.00 1.70 H new ATOM 1375 N THR B 8 -3.134 -4.880 -0.243 1.00 1.52 N ATOM 1376 CA THR B 8 -3.634 -6.059 0.435 1.00 1.66 C ATOM 1377 C THR B 8 -4.882 -6.607 -0.257 1.00 1.76 C ATOM 1378 O THR B 8 -5.455 -7.611 0.172 1.00 2.31 O ATOM 1379 CB THR B 8 -3.972 -5.704 1.896 1.00 2.06 C ATOM 1380 OG1 THR B 8 -5.015 -4.718 1.928 1.00 3.00 O ATOM 1381 CG2 THR B 8 -2.749 -5.149 2.609 1.00 2.55 C ATOM 0 H THR B 8 -3.323 -4.010 0.255 1.00 1.52 H new ATOM 0 HA THR B 8 -2.861 -6.827 0.404 1.00 1.66 H new ATOM 0 HB THR B 8 -4.301 -6.612 2.401 1.00 2.06 H new ATOM 0 HG1 THR B 8 -5.228 -4.497 2.859 1.00 3.00 H new ATOM 0 HG21 THR B 8 -3.008 -4.904 3.639 1.00 2.55 H new ATOM 0 HG22 THR B 8 -1.954 -5.895 2.602 1.00 2.55 H new ATOM 0 HG23 THR B 8 -2.407 -4.249 2.098 1.00 2.55 H new ATOM 1389 N ILE B 9 -5.286 -5.946 -1.332 1.00 1.81 N ATOM 1390 CA ILE B 9 -6.469 -6.335 -2.082 1.00 2.17 C ATOM 1391 C ILE B 9 -6.160 -7.497 -3.023 1.00 2.44 C ATOM 1392 O ILE B 9 -6.016 -7.322 -4.236 1.00 3.08 O ATOM 1393 CB ILE B 9 -7.036 -5.145 -2.887 1.00 2.73 C ATOM 1394 CG1 ILE B 9 -6.940 -3.849 -2.071 1.00 3.02 C ATOM 1395 CG2 ILE B 9 -8.480 -5.409 -3.287 1.00 3.38 C ATOM 1396 CD1 ILE B 9 -7.688 -3.897 -0.751 1.00 3.74 C ATOM 0 H ILE B 9 -4.805 -5.129 -1.707 1.00 1.81 H new ATOM 0 HA ILE B 9 -7.221 -6.656 -1.362 1.00 2.17 H new ATOM 0 HB ILE B 9 -6.440 -5.031 -3.793 1.00 2.73 H new ATOM 0 HG12 ILE B 9 -5.890 -3.632 -1.875 1.00 3.02 H new ATOM 0 HG13 ILE B 9 -7.330 -3.025 -2.669 1.00 3.02 H new ATOM 0 HG21 ILE B 9 -8.862 -4.559 -3.853 1.00 3.38 H new ATOM 0 HG22 ILE B 9 -8.529 -6.307 -3.903 1.00 3.38 H new ATOM 0 HG23 ILE B 9 -9.086 -5.550 -2.392 1.00 3.38 H new ATOM 0 HD11 ILE B 9 -7.573 -2.945 -0.233 1.00 3.74 H new ATOM 0 HD12 ILE B 9 -8.746 -4.082 -0.939 1.00 3.74 H new ATOM 0 HD13 ILE B 9 -7.283 -4.698 -0.132 1.00 3.74 H new ATOM 1408 N GLU B 10 -6.031 -8.677 -2.443 1.00 2.62 N ATOM 1409 CA GLU B 10 -5.748 -9.883 -3.202 1.00 3.41 C ATOM 1410 C GLU B 10 -7.001 -10.332 -3.949 1.00 3.70 C ATOM 1411 O GLU B 10 -8.095 -10.354 -3.388 1.00 4.27 O ATOM 1412 CB GLU B 10 -5.241 -10.975 -2.251 1.00 4.14 C ATOM 1413 CG GLU B 10 -5.165 -12.369 -2.858 1.00 4.97 C ATOM 1414 CD GLU B 10 -4.152 -12.480 -3.973 1.00 5.74 C ATOM 1415 OE1 GLU B 10 -2.951 -12.272 -3.713 1.00 6.12 O ATOM 1416 OE2 GLU B 10 -4.562 -12.793 -5.112 1.00 6.22 O ATOM 0 H GLU B 10 -6.119 -8.827 -1.438 1.00 2.62 H new ATOM 0 HA GLU B 10 -4.972 -9.684 -3.941 1.00 3.41 H new ATOM 0 HB2 GLU B 10 -4.249 -10.695 -1.895 1.00 4.14 H new ATOM 0 HB3 GLU B 10 -5.894 -11.009 -1.379 1.00 4.14 H new ATOM 0 HG2 GLU B 10 -4.914 -13.085 -2.076 1.00 4.97 H new ATOM 0 HG3 GLU B 10 -6.148 -12.646 -3.240 1.00 4.97 H new ATOM 1423 N SER B 11 -6.842 -10.671 -5.217 1.00 3.75 N ATOM 1424 CA SER B 11 -7.963 -11.101 -6.036 1.00 4.38 C ATOM 1425 C SER B 11 -8.433 -12.499 -5.636 1.00 4.06 C ATOM 1426 O SER B 11 -9.625 -12.807 -5.704 1.00 3.95 O ATOM 1427 CB SER B 11 -7.563 -11.061 -7.508 1.00 5.27 C ATOM 1428 OG SER B 11 -7.045 -9.784 -7.851 1.00 5.71 O ATOM 0 H SER B 11 -5.945 -10.657 -5.703 1.00 3.75 H new ATOM 0 HA SER B 11 -8.798 -10.419 -5.876 1.00 4.38 H new ATOM 0 HB2 SER B 11 -6.815 -11.828 -7.708 1.00 5.27 H new ATOM 0 HB3 SER B 11 -8.428 -11.288 -8.132 1.00 5.27 H new ATOM 0 HG SER B 11 -6.792 -9.777 -8.798 1.00 5.71 H new ATOM 1434 N SER B 12 -7.498 -13.334 -5.199 1.00 4.44 N ATOM 1435 CA SER B 12 -7.823 -14.692 -4.782 1.00 4.71 C ATOM 1436 C SER B 12 -8.620 -14.679 -3.476 1.00 4.51 C ATOM 1437 O SER B 12 -9.535 -15.476 -3.282 1.00 4.87 O ATOM 1438 CB SER B 12 -6.538 -15.502 -4.614 1.00 5.75 C ATOM 1439 OG SER B 12 -5.617 -15.206 -5.654 1.00 6.23 O ATOM 0 H SER B 12 -6.509 -13.095 -5.124 1.00 4.44 H new ATOM 0 HA SER B 12 -8.439 -15.158 -5.551 1.00 4.71 H new ATOM 0 HB2 SER B 12 -6.086 -15.280 -3.647 1.00 5.75 H new ATOM 0 HB3 SER B 12 -6.770 -16.567 -4.620 1.00 5.75 H new ATOM 0 HG SER B 12 -5.086 -14.421 -5.407 1.00 6.23 H new ATOM 1445 N SER B 13 -8.273 -13.751 -2.598 1.00 4.36 N ATOM 1446 CA SER B 13 -8.936 -13.614 -1.316 1.00 4.58 C ATOM 1447 C SER B 13 -9.091 -12.137 -0.976 1.00 4.15 C ATOM 1448 O SER B 13 -8.130 -11.482 -0.566 1.00 4.69 O ATOM 1449 CB SER B 13 -8.130 -14.329 -0.229 1.00 5.38 C ATOM 1450 OG SER B 13 -7.712 -15.614 -0.666 1.00 5.90 O ATOM 0 H SER B 13 -7.526 -13.075 -2.756 1.00 4.36 H new ATOM 0 HA SER B 13 -9.924 -14.071 -1.371 1.00 4.58 H new ATOM 0 HB2 SER B 13 -7.259 -13.730 0.036 1.00 5.38 H new ATOM 0 HB3 SER B 13 -8.735 -14.427 0.672 1.00 5.38 H new ATOM 0 HG SER B 13 -7.198 -16.050 0.045 1.00 5.90 H new ATOM 1456 N ASP B 14 -10.292 -11.614 -1.175 1.00 3.66 N ATOM 1457 CA ASP B 14 -10.573 -10.208 -0.902 1.00 3.77 C ATOM 1458 C ASP B 14 -10.574 -9.934 0.596 1.00 3.52 C ATOM 1459 O ASP B 14 -11.588 -10.121 1.273 1.00 3.73 O ATOM 1460 CB ASP B 14 -11.918 -9.809 -1.509 1.00 4.22 C ATOM 1461 CG ASP B 14 -12.193 -8.326 -1.389 1.00 5.09 C ATOM 1462 OD1 ASP B 14 -11.290 -7.520 -1.690 1.00 5.48 O ATOM 1463 OD2 ASP B 14 -13.323 -7.958 -1.000 1.00 5.62 O ATOM 0 H ASP B 14 -11.091 -12.142 -1.526 1.00 3.66 H new ATOM 0 HA ASP B 14 -9.785 -9.610 -1.360 1.00 3.77 H new ATOM 0 HB2 ASP B 14 -11.937 -10.094 -2.561 1.00 4.22 H new ATOM 0 HB3 ASP B 14 -12.715 -10.364 -1.014 1.00 4.22 H new TER 1468 ASP B 14