USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=29 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 74 ASN : amide:sc= 0.378 K(o=-1.4,f=-4.7) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -1.75! C(o=-1.4!,f=-6.4!) USER MOD Single : A 21 TYR OH : rot -142:sc= -0.912! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.768) USER MOD Single : A 29 GLN : amide:sc= 0.0392 X(o=0.039,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -77:sc= 0.804 USER MOD Single : A 35 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.78) USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.04) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc=-0.00182 (180deg=-0.124) USER MOD Single : A 40 MET CE :methyl 162:sc= 0 (180deg=-0.175) USER MOD Single : A 41 THR OG1 : rot -11:sc= 0.879 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0998 USER MOD Single : A 43 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.076) USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 1.15 (180deg=1.07) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.18) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 2.33 (180deg=2.24) USER MOD Single : A 50 SER OG : rot 108:sc= 0.474 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 52 CYS SG : rot 78:sc= 0.765 USER MOD Single : A 53 GLN : amide:sc= -0.0096 K(o=-0.0096,f=-1.5!) USER MOD Single : A 55 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.5) USER MOD Single : A 59 MET CE :methyl -155:sc= -1.01 (180deg=-2.1) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.28 F(o=-2!,f=-1.3) USER MOD Single : A 61 SER OG : rot -63:sc= 0.939 USER MOD Single : A 69 GLN : amide:sc= -0.0682 K(o=-0.068,f=-0.65) USER MOD Single : A 76 THR OG1 : rot -65:sc= 1.03 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -162:sc= 0 (180deg=-0.115) USER MOD Single : A 91 TYR OH : rot 174:sc= 0.0159 USER MOD Single : A 92 GLN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : B 1 LYS N :NH3+ 153:sc= 0.00435 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ -165:sc= -0.0237 (180deg=-0.233) USER MOD Single : B 8 THR OG1 : rot -140:sc= 0 USER MOD Single : B 11 SER OG : rot 107:sc= 1.37 USER MOD Single : B 12 SER OG : rot 180:sc= 0.0023 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 -0.034 -7.304 7.587 1.00 2.10 N ATOM 2 CA TYR A 21 0.448 -7.646 6.230 1.00 1.86 C ATOM 3 C TYR A 21 1.912 -7.261 6.083 1.00 1.78 C ATOM 4 O TYR A 21 2.464 -6.570 6.940 1.00 1.85 O ATOM 5 CB TYR A 21 -0.389 -6.926 5.162 1.00 1.79 C ATOM 6 CG TYR A 21 -1.761 -7.530 4.939 1.00 1.93 C ATOM 7 CD1 TYR A 21 -1.966 -8.898 5.036 1.00 2.36 C ATOM 8 CD2 TYR A 21 -2.850 -6.726 4.627 1.00 2.26 C ATOM 9 CE1 TYR A 21 -3.215 -9.450 4.833 1.00 2.52 C ATOM 10 CE2 TYR A 21 -4.105 -7.272 4.421 1.00 2.53 C ATOM 11 CZ TYR A 21 -4.280 -8.635 4.523 1.00 2.41 C ATOM 12 OH TYR A 21 -5.527 -9.187 4.323 1.00 2.72 O ATOM 0 HA TYR A 21 0.344 -8.722 6.089 1.00 1.86 H new ATOM 0 HB2 TYR A 21 -0.506 -5.882 5.451 1.00 1.79 H new ATOM 0 HB3 TYR A 21 0.158 -6.936 4.219 1.00 1.79 H new ATOM 0 HD1 TYR A 21 -1.134 -9.543 5.275 1.00 2.36 H new ATOM 0 HD2 TYR A 21 -2.715 -5.658 4.544 1.00 2.26 H new ATOM 0 HE1 TYR A 21 -3.356 -10.517 4.917 1.00 2.52 H new ATOM 0 HE2 TYR A 21 -4.942 -6.633 4.182 1.00 2.53 H new ATOM 0 HH TYR A 21 -5.983 -8.711 3.597 1.00 2.72 H new ATOM 22 N ILE A 22 2.529 -7.712 4.999 1.00 1.66 N ATOM 23 CA ILE A 22 3.929 -7.420 4.728 1.00 1.60 C ATOM 24 C ILE A 22 4.083 -5.971 4.291 1.00 1.48 C ATOM 25 O ILE A 22 3.380 -5.511 3.393 1.00 1.43 O ATOM 26 CB ILE A 22 4.495 -8.334 3.615 1.00 1.60 C ATOM 27 CG1 ILE A 22 4.280 -9.813 3.960 1.00 1.81 C ATOM 28 CG2 ILE A 22 5.975 -8.039 3.381 1.00 1.58 C ATOM 29 CD1 ILE A 22 5.242 -10.353 4.999 1.00 1.99 C ATOM 0 H ILE A 22 2.077 -8.286 4.288 1.00 1.66 H new ATOM 0 HA ILE A 22 4.484 -7.601 5.648 1.00 1.60 H new ATOM 0 HB ILE A 22 3.955 -8.123 2.692 1.00 1.60 H new ATOM 0 HG12 ILE A 22 3.260 -9.946 4.321 1.00 1.81 H new ATOM 0 HG13 ILE A 22 4.376 -10.405 3.050 1.00 1.81 H new ATOM 0 HG21 ILE A 22 6.356 -8.691 2.595 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.095 -6.999 3.079 1.00 1.58 H new ATOM 0 HG23 ILE A 22 6.531 -8.217 4.301 1.00 1.58 H new ATOM 0 HD11 ILE A 22 5.023 -11.404 5.186 1.00 1.99 H new ATOM 0 HD12 ILE A 22 6.264 -10.255 4.634 1.00 1.99 H new ATOM 0 HD13 ILE A 22 5.132 -9.789 5.925 1.00 1.99 H new ATOM 41 N LYS A 23 4.992 -5.259 4.928 1.00 1.47 N ATOM 42 CA LYS A 23 5.237 -3.870 4.593 1.00 1.39 C ATOM 43 C LYS A 23 6.620 -3.714 3.976 1.00 1.34 C ATOM 44 O LYS A 23 7.627 -4.019 4.606 1.00 1.48 O ATOM 45 CB LYS A 23 5.112 -3.006 5.848 1.00 1.51 C ATOM 46 CG LYS A 23 5.392 -1.527 5.625 1.00 1.98 C ATOM 47 CD LYS A 23 5.232 -0.729 6.909 1.00 2.61 C ATOM 48 CE LYS A 23 6.232 -1.171 7.968 1.00 3.07 C ATOM 49 NZ LYS A 23 5.932 -0.590 9.299 1.00 2.83 N ATOM 0 H LYS A 23 5.575 -5.621 5.683 1.00 1.47 H new ATOM 0 HA LYS A 23 4.496 -3.543 3.864 1.00 1.39 H new ATOM 0 HB2 LYS A 23 4.105 -3.116 6.251 1.00 1.51 H new ATOM 0 HB3 LYS A 23 5.801 -3.383 6.604 1.00 1.51 H new ATOM 0 HG2 LYS A 23 6.404 -1.401 5.241 1.00 1.98 H new ATOM 0 HG3 LYS A 23 4.713 -1.138 4.867 1.00 1.98 H new ATOM 0 HD2 LYS A 23 5.368 0.332 6.699 1.00 2.61 H new ATOM 0 HD3 LYS A 23 4.218 -0.851 7.291 1.00 2.61 H new ATOM 0 HE2 LYS A 23 6.227 -2.259 8.039 1.00 3.07 H new ATOM 0 HE3 LYS A 23 7.236 -0.876 7.663 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 6.638 -0.918 9.988 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 5.962 0.448 9.240 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 4.985 -0.892 9.604 1.00 2.83 H new ATOM 63 N LEU A 24 6.661 -3.254 2.740 1.00 1.21 N ATOM 64 CA LEU A 24 7.923 -3.048 2.039 1.00 1.21 C ATOM 65 C LEU A 24 8.276 -1.566 2.024 1.00 1.21 C ATOM 66 O LEU A 24 7.391 -0.712 2.058 1.00 1.15 O ATOM 67 CB LEU A 24 7.839 -3.589 0.609 1.00 1.15 C ATOM 68 CG LEU A 24 7.564 -5.091 0.498 1.00 1.18 C ATOM 69 CD1 LEU A 24 7.290 -5.474 -0.947 1.00 1.15 C ATOM 70 CD2 LEU A 24 8.736 -5.893 1.047 1.00 1.36 C ATOM 0 H LEU A 24 5.833 -3.014 2.195 1.00 1.21 H new ATOM 0 HA LEU A 24 8.707 -3.592 2.566 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.053 -3.051 0.079 1.00 1.15 H new ATOM 0 HB3 LEU A 24 8.776 -3.368 0.098 1.00 1.15 H new ATOM 0 HG LEU A 24 6.681 -5.323 1.093 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.096 -6.545 -1.009 1.00 1.15 H new ATOM 0 HD12 LEU A 24 6.420 -4.926 -1.310 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.157 -5.226 -1.560 1.00 1.15 H new ATOM 0 HD21 LEU A 24 8.521 -6.958 0.959 1.00 1.36 H new ATOM 0 HD22 LEU A 24 9.636 -5.656 0.480 1.00 1.36 H new ATOM 0 HD23 LEU A 24 8.891 -5.639 2.096 1.00 1.36 H new ATOM 82 N LYS A 25 9.567 -1.264 2.001 1.00 1.36 N ATOM 83 CA LYS A 25 10.021 0.118 1.991 1.00 1.42 C ATOM 84 C LYS A 25 10.582 0.503 0.628 1.00 1.43 C ATOM 85 O LYS A 25 11.633 0.007 0.215 1.00 1.55 O ATOM 86 CB LYS A 25 11.093 0.342 3.061 1.00 1.62 C ATOM 87 CG LYS A 25 10.580 0.223 4.487 1.00 1.51 C ATOM 88 CD LYS A 25 11.568 0.809 5.485 1.00 1.67 C ATOM 89 CE LYS A 25 11.595 2.329 5.421 1.00 2.04 C ATOM 90 NZ LYS A 25 12.732 2.904 6.183 1.00 2.70 N ATOM 0 H LYS A 25 10.316 -1.956 1.989 1.00 1.36 H new ATOM 0 HA LYS A 25 9.157 0.747 2.207 1.00 1.42 H new ATOM 0 HB2 LYS A 25 11.895 -0.381 2.913 1.00 1.62 H new ATOM 0 HB3 LYS A 25 11.527 1.332 2.924 1.00 1.62 H new ATOM 0 HG2 LYS A 25 9.623 0.738 4.575 1.00 1.51 H new ATOM 0 HG3 LYS A 25 10.400 -0.826 4.724 1.00 1.51 H new ATOM 0 HD2 LYS A 25 11.300 0.492 6.493 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.565 0.418 5.283 1.00 1.67 H new ATOM 0 HE2 LYS A 25 11.661 2.646 4.380 1.00 2.04 H new ATOM 0 HE3 LYS A 25 10.659 2.724 5.816 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 12.962 3.845 5.806 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 12.471 2.988 7.186 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 13.561 2.282 6.092 1.00 2.70 H new ATOM 104 N VAL A 26 9.873 1.379 -0.067 1.00 1.35 N ATOM 105 CA VAL A 26 10.306 1.860 -1.370 1.00 1.41 C ATOM 106 C VAL A 26 11.163 3.103 -1.183 1.00 1.60 C ATOM 107 O VAL A 26 10.646 4.185 -0.900 1.00 1.62 O ATOM 108 CB VAL A 26 9.114 2.200 -2.290 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.595 2.490 -3.703 1.00 1.46 C ATOM 110 CG2 VAL A 26 8.094 1.071 -2.293 1.00 1.13 C ATOM 0 H VAL A 26 8.989 1.774 0.253 1.00 1.35 H new ATOM 0 HA VAL A 26 10.877 1.063 -1.846 1.00 1.41 H new ATOM 0 HB VAL A 26 8.629 3.095 -1.901 1.00 1.32 H new ATOM 0 HG11 VAL A 26 8.741 2.728 -4.337 1.00 1.46 H new ATOM 0 HG12 VAL A 26 10.281 3.337 -3.687 1.00 1.46 H new ATOM 0 HG13 VAL A 26 10.108 1.614 -4.100 1.00 1.46 H new ATOM 0 HG21 VAL A 26 7.263 1.333 -2.948 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.565 0.156 -2.653 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.722 0.914 -1.281 1.00 1.13 H new ATOM 120 N ILE A 27 12.470 2.944 -1.333 1.00 1.78 N ATOM 121 CA ILE A 27 13.398 4.048 -1.149 1.00 1.99 C ATOM 122 C ILE A 27 13.689 4.759 -2.468 1.00 2.13 C ATOM 123 O ILE A 27 14.275 4.179 -3.390 1.00 2.21 O ATOM 124 CB ILE A 27 14.731 3.567 -0.530 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.471 2.619 0.648 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.573 4.758 -0.081 1.00 2.39 C ATOM 127 CD1 ILE A 27 13.689 3.243 1.786 1.00 2.07 C ATOM 0 H ILE A 27 12.912 2.059 -1.582 1.00 1.78 H new ATOM 0 HA ILE A 27 12.918 4.748 -0.465 1.00 1.99 H new ATOM 0 HB ILE A 27 15.285 3.021 -1.294 1.00 2.15 H new ATOM 0 HG12 ILE A 27 13.928 1.746 0.285 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.427 2.263 1.031 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.507 4.401 0.352 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.791 5.394 -0.939 1.00 2.39 H new ATOM 0 HG23 ILE A 27 15.023 5.332 0.665 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.548 2.507 2.578 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.239 4.098 2.179 1.00 2.07 H new ATOM 0 HD13 ILE A 27 12.717 3.573 1.421 1.00 2.07 H new ATOM 139 N GLY A 28 13.275 6.014 -2.549 1.00 2.21 N ATOM 140 CA GLY A 28 13.500 6.798 -3.744 1.00 2.40 C ATOM 141 C GLY A 28 14.811 7.560 -3.684 1.00 2.63 C ATOM 142 O GLY A 28 15.440 7.639 -2.629 1.00 2.64 O ATOM 0 H GLY A 28 12.784 6.506 -1.803 1.00 2.21 H new ATOM 0 HA2 GLY A 28 13.502 6.141 -4.614 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.678 7.501 -3.877 1.00 2.40 H new ATOM 146 N GLN A 29 15.205 8.144 -4.810 1.00 2.84 N ATOM 147 CA GLN A 29 16.452 8.898 -4.897 1.00 3.07 C ATOM 148 C GLN A 29 16.341 10.224 -4.145 1.00 3.11 C ATOM 149 O GLN A 29 17.345 10.859 -3.823 1.00 3.26 O ATOM 150 CB GLN A 29 16.813 9.146 -6.369 1.00 3.28 C ATOM 151 CG GLN A 29 18.191 9.761 -6.579 1.00 3.53 C ATOM 152 CD GLN A 29 19.304 8.931 -5.964 1.00 3.59 C ATOM 153 OE1 GLN A 29 19.848 8.028 -6.600 1.00 3.73 O ATOM 154 NE2 GLN A 29 19.653 9.231 -4.722 1.00 3.52 N ATOM 0 H GLN A 29 14.675 8.110 -5.681 1.00 2.84 H new ATOM 0 HA GLN A 29 17.244 8.311 -4.431 1.00 3.07 H new ATOM 0 HB2 GLN A 29 16.764 8.200 -6.908 1.00 3.28 H new ATOM 0 HB3 GLN A 29 16.063 9.803 -6.810 1.00 3.28 H new ATOM 0 HG2 GLN A 29 18.375 9.873 -7.647 1.00 3.53 H new ATOM 0 HG3 GLN A 29 18.208 10.761 -6.146 1.00 3.53 H new ATOM 0 HE21 GLN A 29 19.179 9.986 -4.227 1.00 3.52 H new ATOM 0 HE22 GLN A 29 20.396 8.707 -4.260 1.00 3.52 H new ATOM 163 N ASP A 30 15.113 10.629 -3.854 1.00 3.01 N ATOM 164 CA ASP A 30 14.857 11.874 -3.139 1.00 3.07 C ATOM 165 C ASP A 30 14.784 11.628 -1.633 1.00 2.98 C ATOM 166 O ASP A 30 14.312 12.481 -0.878 1.00 3.01 O ATOM 167 CB ASP A 30 13.556 12.514 -3.629 1.00 3.06 C ATOM 168 CG ASP A 30 12.340 11.672 -3.312 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.297 10.500 -3.741 1.00 2.77 O ATOM 170 OD2 ASP A 30 11.422 12.172 -2.628 1.00 2.90 O ATOM 0 H ASP A 30 14.271 10.110 -4.104 1.00 3.01 H new ATOM 0 HA ASP A 30 15.683 12.556 -3.340 1.00 3.07 H new ATOM 0 HB2 ASP A 30 13.443 13.496 -3.170 1.00 3.06 H new ATOM 0 HB3 ASP A 30 13.615 12.670 -4.706 1.00 3.06 H new ATOM 175 N SER A 31 15.260 10.455 -1.218 1.00 2.89 N ATOM 176 CA SER A 31 15.277 10.057 0.187 1.00 2.82 C ATOM 177 C SER A 31 13.864 9.830 0.728 1.00 2.62 C ATOM 178 O SER A 31 13.600 10.027 1.912 1.00 2.65 O ATOM 179 CB SER A 31 16.019 11.097 1.035 1.00 3.05 C ATOM 180 OG SER A 31 17.345 11.285 0.560 1.00 3.25 O ATOM 0 H SER A 31 15.646 9.753 -1.849 1.00 2.89 H new ATOM 0 HA SER A 31 15.810 9.109 0.253 1.00 2.82 H new ATOM 0 HB2 SER A 31 15.481 12.045 1.009 1.00 3.05 H new ATOM 0 HB3 SER A 31 16.043 10.773 2.076 1.00 3.05 H new ATOM 0 HG SER A 31 17.799 11.954 1.114 1.00 3.25 H new ATOM 186 N SER A 32 12.960 9.410 -0.144 1.00 2.47 N ATOM 187 CA SER A 32 11.592 9.137 0.257 1.00 2.32 C ATOM 188 C SER A 32 11.413 7.641 0.465 1.00 2.11 C ATOM 189 O SER A 32 11.970 6.839 -0.284 1.00 2.13 O ATOM 190 CB SER A 32 10.612 9.643 -0.803 1.00 2.33 C ATOM 191 OG SER A 32 10.906 9.093 -2.080 1.00 2.38 O ATOM 0 H SER A 32 13.151 9.251 -1.133 1.00 2.47 H new ATOM 0 HA SER A 32 11.385 9.659 1.191 1.00 2.32 H new ATOM 0 HB2 SER A 32 9.594 9.379 -0.516 1.00 2.33 H new ATOM 0 HB3 SER A 32 10.657 10.731 -0.854 1.00 2.33 H new ATOM 0 HG SER A 32 11.683 9.552 -2.463 1.00 2.38 H new ATOM 197 N GLU A 33 10.664 7.260 1.486 1.00 2.01 N ATOM 198 CA GLU A 33 10.437 5.851 1.750 1.00 1.87 C ATOM 199 C GLU A 33 8.948 5.545 1.827 1.00 1.79 C ATOM 200 O GLU A 33 8.336 5.637 2.885 1.00 2.00 O ATOM 201 CB GLU A 33 11.135 5.427 3.045 1.00 1.98 C ATOM 202 CG GLU A 33 10.954 6.404 4.199 1.00 2.57 C ATOM 203 CD GLU A 33 11.402 5.827 5.525 1.00 2.75 C ATOM 204 OE1 GLU A 33 12.613 5.578 5.694 1.00 2.98 O ATOM 205 OE2 GLU A 33 10.545 5.627 6.410 1.00 2.99 O ATOM 0 H GLU A 33 10.208 7.898 2.138 1.00 2.01 H new ATOM 0 HA GLU A 33 10.860 5.281 0.923 1.00 1.87 H new ATOM 0 HB2 GLU A 33 10.755 4.451 3.347 1.00 1.98 H new ATOM 0 HB3 GLU A 33 12.200 5.307 2.848 1.00 1.98 H new ATOM 0 HG2 GLU A 33 11.519 7.313 3.993 1.00 2.57 H new ATOM 0 HG3 GLU A 33 9.904 6.690 4.267 1.00 2.57 H new ATOM 212 N ILE A 34 8.372 5.161 0.702 1.00 1.58 N ATOM 213 CA ILE A 34 6.958 4.829 0.661 1.00 1.50 C ATOM 214 C ILE A 34 6.775 3.409 1.165 1.00 1.38 C ATOM 215 O ILE A 34 7.585 2.533 0.866 1.00 1.31 O ATOM 216 CB ILE A 34 6.363 4.958 -0.760 1.00 1.46 C ATOM 217 CG1 ILE A 34 6.751 6.301 -1.397 1.00 1.71 C ATOM 218 CG2 ILE A 34 4.848 4.811 -0.703 1.00 1.41 C ATOM 219 CD1 ILE A 34 5.947 7.487 -0.897 1.00 1.81 C ATOM 0 H ILE A 34 8.857 5.071 -0.191 1.00 1.58 H new ATOM 0 HA ILE A 34 6.427 5.538 1.296 1.00 1.50 H new ATOM 0 HB ILE A 34 6.773 4.162 -1.382 1.00 1.46 H new ATOM 0 HG12 ILE A 34 7.808 6.488 -1.207 1.00 1.71 H new ATOM 0 HG13 ILE A 34 6.630 6.225 -2.478 1.00 1.71 H new ATOM 0 HG21 ILE A 34 4.435 4.903 -1.708 1.00 1.41 H new ATOM 0 HG22 ILE A 34 4.592 3.834 -0.294 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.430 5.591 -0.067 1.00 1.41 H new ATOM 0 HD11 ILE A 34 6.286 8.394 -1.398 1.00 1.81 H new ATOM 0 HD12 ILE A 34 4.890 7.327 -1.112 1.00 1.81 H new ATOM 0 HD13 ILE A 34 6.086 7.594 0.179 1.00 1.81 H new ATOM 231 N HIS A 35 5.741 3.182 1.951 1.00 1.41 N ATOM 232 CA HIS A 35 5.494 1.860 2.492 1.00 1.33 C ATOM 233 C HIS A 35 4.494 1.108 1.618 1.00 1.23 C ATOM 234 O HIS A 35 3.603 1.710 1.019 1.00 1.29 O ATOM 235 CB HIS A 35 4.994 1.968 3.933 1.00 1.46 C ATOM 236 CG HIS A 35 5.957 2.639 4.868 1.00 1.58 C ATOM 237 ND1 HIS A 35 7.203 3.094 4.500 1.00 1.91 N ATOM 238 CD2 HIS A 35 5.827 2.934 6.187 1.00 1.83 C ATOM 239 CE1 HIS A 35 7.780 3.637 5.576 1.00 2.04 C ATOM 240 NE2 HIS A 35 6.986 3.567 6.628 1.00 2.02 N ATOM 0 H HIS A 35 5.062 3.891 2.228 1.00 1.41 H new ATOM 0 HA HIS A 35 6.427 1.297 2.496 1.00 1.33 H new ATOM 0 HB2 HIS A 35 4.054 2.520 3.939 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.779 0.967 4.307 1.00 1.46 H new ATOM 0 HD2 HIS A 35 4.963 2.713 6.796 1.00 1.83 H new ATOM 0 HE1 HIS A 35 8.767 4.076 5.584 1.00 2.04 H new ATOM 0 HE2 HIS A 35 7.181 3.907 7.570 1.00 2.02 H new ATOM 248 N PHE A 36 4.649 -0.205 1.545 1.00 1.15 N ATOM 249 CA PHE A 36 3.772 -1.042 0.734 1.00 1.06 C ATOM 250 C PHE A 36 3.158 -2.163 1.565 1.00 1.12 C ATOM 251 O PHE A 36 3.885 -3.007 2.080 1.00 1.18 O ATOM 252 CB PHE A 36 4.575 -1.662 -0.413 1.00 0.98 C ATOM 253 CG PHE A 36 4.179 -1.192 -1.780 1.00 0.94 C ATOM 254 CD1 PHE A 36 2.848 -1.130 -2.151 1.00 1.06 C ATOM 255 CD2 PHE A 36 5.146 -0.830 -2.703 1.00 1.25 C ATOM 256 CE1 PHE A 36 2.489 -0.709 -3.414 1.00 1.30 C ATOM 257 CE2 PHE A 36 4.791 -0.410 -3.969 1.00 1.53 C ATOM 258 CZ PHE A 36 3.460 -0.349 -4.325 1.00 1.49 C ATOM 0 H PHE A 36 5.378 -0.718 2.040 1.00 1.15 H new ATOM 0 HA PHE A 36 2.971 -0.414 0.344 1.00 1.06 H new ATOM 0 HB2 PHE A 36 5.631 -1.441 -0.260 1.00 0.98 H new ATOM 0 HB3 PHE A 36 4.466 -2.746 -0.370 1.00 0.98 H new ATOM 0 HD1 PHE A 36 2.082 -1.414 -1.444 1.00 1.06 H new ATOM 0 HD2 PHE A 36 6.190 -0.877 -2.429 1.00 1.25 H new ATOM 0 HE1 PHE A 36 1.446 -0.661 -3.690 1.00 1.30 H new ATOM 0 HE2 PHE A 36 5.554 -0.130 -4.680 1.00 1.53 H new ATOM 0 HZ PHE A 36 3.179 -0.020 -5.315 1.00 1.49 H new ATOM 268 N LYS A 37 1.834 -2.169 1.702 1.00 1.21 N ATOM 269 CA LYS A 37 1.160 -3.220 2.465 1.00 1.34 C ATOM 270 C LYS A 37 0.645 -4.318 1.538 1.00 1.28 C ATOM 271 O LYS A 37 -0.432 -4.201 0.947 1.00 1.35 O ATOM 272 CB LYS A 37 0.001 -2.650 3.283 1.00 1.57 C ATOM 273 CG LYS A 37 0.160 -2.865 4.783 1.00 1.77 C ATOM 274 CD LYS A 37 -1.059 -2.386 5.555 1.00 2.07 C ATOM 275 CE LYS A 37 -1.233 -0.881 5.457 1.00 2.14 C ATOM 276 NZ LYS A 37 -2.605 -0.457 5.836 1.00 2.40 N ATOM 0 H LYS A 37 1.212 -1.468 1.301 1.00 1.21 H new ATOM 0 HA LYS A 37 1.892 -3.649 3.149 1.00 1.34 H new ATOM 0 HB2 LYS A 37 -0.085 -1.582 3.083 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.929 -3.112 2.953 1.00 1.57 H new ATOM 0 HG2 LYS A 37 0.324 -3.924 4.983 1.00 1.77 H new ATOM 0 HG3 LYS A 37 1.045 -2.334 5.134 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -1.951 -2.881 5.170 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -0.962 -2.673 6.602 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -0.509 -0.389 6.106 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -1.021 -0.556 4.438 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -2.607 0.560 6.053 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -3.257 -0.644 5.047 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -2.914 -0.990 6.674 1.00 2.40 H new ATOM 290 N VAL A 38 1.437 -5.372 1.404 1.00 1.24 N ATOM 291 CA VAL A 38 1.088 -6.508 0.563 1.00 1.25 C ATOM 292 C VAL A 38 0.970 -7.790 1.382 1.00 1.39 C ATOM 293 O VAL A 38 1.308 -7.821 2.561 1.00 1.48 O ATOM 294 CB VAL A 38 2.120 -6.722 -0.564 1.00 1.19 C ATOM 295 CG1 VAL A 38 2.035 -5.600 -1.581 1.00 1.57 C ATOM 296 CG2 VAL A 38 3.532 -6.830 0.000 1.00 1.27 C ATOM 0 H VAL A 38 2.338 -5.464 1.874 1.00 1.24 H new ATOM 0 HA VAL A 38 0.121 -6.277 0.116 1.00 1.25 H new ATOM 0 HB VAL A 38 1.886 -7.662 -1.064 1.00 1.19 H new ATOM 0 HG11 VAL A 38 2.770 -5.767 -2.369 1.00 1.57 H new ATOM 0 HG12 VAL A 38 1.036 -5.578 -2.016 1.00 1.57 H new ATOM 0 HG13 VAL A 38 2.239 -4.648 -1.090 1.00 1.57 H new ATOM 0 HG21 VAL A 38 4.239 -6.980 -0.816 1.00 1.27 H new ATOM 0 HG22 VAL A 38 3.782 -5.912 0.533 1.00 1.27 H new ATOM 0 HG23 VAL A 38 3.586 -7.674 0.687 1.00 1.27 H new ATOM 306 N LYS A 39 0.476 -8.842 0.751 1.00 1.43 N ATOM 307 CA LYS A 39 0.339 -10.135 1.402 1.00 1.60 C ATOM 308 C LYS A 39 1.021 -11.192 0.548 1.00 1.60 C ATOM 309 O LYS A 39 1.040 -11.076 -0.678 1.00 1.49 O ATOM 310 CB LYS A 39 -1.143 -10.475 1.603 1.00 1.69 C ATOM 311 CG LYS A 39 -1.408 -11.503 2.698 1.00 2.00 C ATOM 312 CD LYS A 39 -1.496 -12.914 2.139 1.00 2.35 C ATOM 313 CE LYS A 39 -2.090 -13.881 3.151 1.00 2.74 C ATOM 314 NZ LYS A 39 -3.553 -13.663 3.338 1.00 3.20 N ATOM 0 H LYS A 39 0.161 -8.825 -0.219 1.00 1.43 H new ATOM 0 HA LYS A 39 0.812 -10.104 2.383 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -1.685 -9.560 1.841 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -1.548 -10.850 0.663 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -0.612 -11.456 3.441 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -2.338 -11.257 3.211 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -2.107 -12.911 1.236 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -0.502 -13.254 1.850 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -1.915 -14.905 2.820 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -1.581 -13.763 4.107 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -3.963 -14.475 3.842 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -3.707 -12.797 3.893 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -4.011 -13.565 2.409 1.00 3.20 H new ATOM 328 N MET A 40 1.593 -12.208 1.188 1.00 1.76 N ATOM 329 CA MET A 40 2.281 -13.271 0.461 1.00 1.82 C ATOM 330 C MET A 40 1.284 -14.125 -0.315 1.00 1.89 C ATOM 331 O MET A 40 0.813 -15.153 0.169 1.00 2.06 O ATOM 332 CB MET A 40 3.084 -14.151 1.423 1.00 2.01 C ATOM 333 CG MET A 40 4.316 -13.464 1.990 1.00 1.99 C ATOM 334 SD MET A 40 5.456 -12.922 0.705 1.00 2.53 S ATOM 335 CE MET A 40 6.694 -12.076 1.687 1.00 3.01 C ATOM 0 H MET A 40 1.594 -12.318 2.202 1.00 1.76 H new ATOM 0 HA MET A 40 2.968 -12.806 -0.245 1.00 1.82 H new ATOM 0 HB2 MET A 40 2.439 -14.459 2.246 1.00 2.01 H new ATOM 0 HB3 MET A 40 3.391 -15.058 0.902 1.00 2.01 H new ATOM 0 HG2 MET A 40 4.007 -12.604 2.584 1.00 1.99 H new ATOM 0 HG3 MET A 40 4.832 -14.148 2.664 1.00 1.99 H new ATOM 0 HE1 MET A 40 7.608 -11.965 1.103 1.00 3.01 H new ATOM 0 HE2 MET A 40 6.323 -11.091 1.971 1.00 3.01 H new ATOM 0 HE3 MET A 40 6.906 -12.657 2.585 1.00 3.01 H new ATOM 345 N THR A 41 0.968 -13.679 -1.522 1.00 1.77 N ATOM 346 CA THR A 41 0.034 -14.368 -2.399 1.00 1.85 C ATOM 347 C THR A 41 0.176 -13.833 -3.820 1.00 1.77 C ATOM 348 O THR A 41 0.366 -14.593 -4.772 1.00 1.92 O ATOM 349 CB THR A 41 -1.434 -14.179 -1.941 1.00 1.99 C ATOM 350 OG1 THR A 41 -1.622 -14.689 -0.613 1.00 2.21 O ATOM 351 CG2 THR A 41 -2.398 -14.878 -2.888 1.00 2.21 C ATOM 0 H THR A 41 1.355 -12.824 -1.922 1.00 1.77 H new ATOM 0 HA THR A 41 0.272 -15.431 -2.362 1.00 1.85 H new ATOM 0 HB THR A 41 -1.643 -13.109 -1.949 1.00 1.99 H new ATOM 0 HG1 THR A 41 -0.832 -15.203 -0.345 1.00 2.21 H new ATOM 0 HG21 THR A 41 -3.421 -14.728 -2.542 1.00 2.21 H new ATOM 0 HG22 THR A 41 -2.290 -14.462 -3.890 1.00 2.21 H new ATOM 0 HG23 THR A 41 -2.175 -15.945 -2.912 1.00 2.21 H new ATOM 359 N THR A 42 0.095 -12.516 -3.939 1.00 1.62 N ATOM 360 CA THR A 42 0.196 -11.842 -5.222 1.00 1.60 C ATOM 361 C THR A 42 1.649 -11.743 -5.690 1.00 1.48 C ATOM 362 O THR A 42 2.569 -11.647 -4.876 1.00 1.35 O ATOM 363 CB THR A 42 -0.407 -10.431 -5.121 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.059 -10.276 -3.847 1.00 1.63 O ATOM 365 CG2 THR A 42 -1.412 -10.189 -6.237 1.00 1.75 C ATOM 0 H THR A 42 -0.043 -11.886 -3.149 1.00 1.62 H new ATOM 0 HA THR A 42 -0.359 -12.431 -5.952 1.00 1.60 H new ATOM 0 HB THR A 42 0.399 -9.704 -5.217 1.00 1.58 H new ATOM 0 HG1 THR A 42 -1.442 -9.376 -3.783 1.00 1.63 H new ATOM 0 HG21 THR A 42 -1.824 -9.184 -6.144 1.00 1.75 H new ATOM 0 HG22 THR A 42 -0.915 -10.289 -7.202 1.00 1.75 H new ATOM 0 HG23 THR A 42 -2.218 -10.920 -6.166 1.00 1.75 H new ATOM 373 N HIS A 43 1.846 -11.789 -7.005 1.00 1.61 N ATOM 374 CA HIS A 43 3.179 -11.696 -7.593 1.00 1.65 C ATOM 375 C HIS A 43 3.747 -10.293 -7.414 1.00 1.48 C ATOM 376 O HIS A 43 3.013 -9.347 -7.114 1.00 1.33 O ATOM 377 CB HIS A 43 3.136 -12.028 -9.088 1.00 1.90 C ATOM 378 CG HIS A 43 3.007 -13.488 -9.396 1.00 1.95 C ATOM 379 ND1 HIS A 43 3.320 -14.040 -10.618 1.00 2.43 N ATOM 380 CD2 HIS A 43 2.594 -14.517 -8.616 1.00 2.01 C ATOM 381 CE1 HIS A 43 3.093 -15.355 -10.548 1.00 2.36 C ATOM 382 NE2 HIS A 43 2.652 -15.699 -9.353 1.00 2.09 N ATOM 0 H HIS A 43 1.094 -11.891 -7.687 1.00 1.61 H new ATOM 0 HA HIS A 43 3.818 -12.415 -7.081 1.00 1.65 H new ATOM 0 HB2 HIS A 43 2.298 -11.499 -9.541 1.00 1.90 H new ATOM 0 HB3 HIS A 43 4.044 -11.649 -9.558 1.00 1.90 H new ATOM 0 HD2 HIS A 43 2.272 -14.434 -7.589 1.00 2.01 H new ATOM 0 HE1 HIS A 43 3.250 -16.046 -11.363 1.00 2.36 H new ATOM 0 HE2 HIS A 43 2.405 -16.636 -9.034 1.00 2.09 H new ATOM 390 N LEU A 44 5.050 -10.147 -7.632 1.00 1.56 N ATOM 391 CA LEU A 44 5.708 -8.851 -7.500 1.00 1.47 C ATOM 392 C LEU A 44 5.296 -7.922 -8.639 1.00 1.45 C ATOM 393 O LEU A 44 5.587 -6.725 -8.622 1.00 1.45 O ATOM 394 CB LEU A 44 7.226 -9.020 -7.460 1.00 1.65 C ATOM 395 CG LEU A 44 7.786 -9.562 -6.139 1.00 1.77 C ATOM 396 CD1 LEU A 44 9.287 -9.775 -6.242 1.00 1.89 C ATOM 397 CD2 LEU A 44 7.459 -8.614 -4.991 1.00 1.80 C ATOM 0 H LEU A 44 5.671 -10.910 -7.901 1.00 1.56 H new ATOM 0 HA LEU A 44 5.392 -8.399 -6.560 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.522 -9.692 -8.265 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.689 -8.055 -7.664 1.00 1.65 H new ATOM 0 HG LEU A 44 7.316 -10.524 -5.936 1.00 1.77 H new ATOM 0 HD11 LEU A 44 9.666 -10.160 -5.295 1.00 1.89 H new ATOM 0 HD12 LEU A 44 9.499 -10.491 -7.036 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.774 -8.827 -6.469 1.00 1.89 H new ATOM 0 HD21 LEU A 44 7.864 -9.015 -4.062 1.00 1.80 H new ATOM 0 HD22 LEU A 44 7.901 -7.637 -5.188 1.00 1.80 H new ATOM 0 HD23 LEU A 44 6.378 -8.511 -4.901 1.00 1.80 H new ATOM 409 N LYS A 45 4.612 -8.487 -9.626 1.00 1.48 N ATOM 410 CA LYS A 45 4.119 -7.723 -10.762 1.00 1.52 C ATOM 411 C LYS A 45 3.104 -6.696 -10.274 1.00 1.41 C ATOM 412 O LYS A 45 3.065 -5.559 -10.751 1.00 1.43 O ATOM 413 CB LYS A 45 3.466 -8.656 -11.784 1.00 1.63 C ATOM 414 CG LYS A 45 2.940 -7.937 -13.011 1.00 1.89 C ATOM 415 CD LYS A 45 2.095 -8.855 -13.877 1.00 1.77 C ATOM 416 CE LYS A 45 1.668 -8.170 -15.168 1.00 2.18 C ATOM 417 NZ LYS A 45 2.745 -8.186 -16.195 1.00 2.44 N ATOM 0 H LYS A 45 4.385 -9.481 -9.661 1.00 1.48 H new ATOM 0 HA LYS A 45 4.954 -7.212 -11.242 1.00 1.52 H new ATOM 0 HB2 LYS A 45 4.193 -9.406 -12.096 1.00 1.63 H new ATOM 0 HB3 LYS A 45 2.644 -9.189 -11.305 1.00 1.63 H new ATOM 0 HG2 LYS A 45 2.345 -7.077 -12.703 1.00 1.89 H new ATOM 0 HG3 LYS A 45 3.776 -7.553 -13.595 1.00 1.89 H new ATOM 0 HD2 LYS A 45 2.661 -9.757 -14.112 1.00 1.77 H new ATOM 0 HD3 LYS A 45 1.211 -9.169 -13.321 1.00 1.77 H new ATOM 0 HE2 LYS A 45 0.782 -8.666 -15.565 1.00 2.18 H new ATOM 0 HE3 LYS A 45 1.387 -7.139 -14.955 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 2.628 -7.374 -16.834 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 3.672 -8.128 -15.727 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 2.689 -9.068 -16.743 1.00 2.44 H new ATOM 431 N LYS A 46 2.300 -7.110 -9.297 1.00 1.33 N ATOM 432 CA LYS A 46 1.283 -6.252 -8.709 1.00 1.28 C ATOM 433 C LYS A 46 1.933 -5.036 -8.054 1.00 1.20 C ATOM 434 O LYS A 46 1.399 -3.930 -8.102 1.00 1.20 O ATOM 435 CB LYS A 46 0.466 -7.036 -7.676 1.00 1.31 C ATOM 436 CG LYS A 46 -0.724 -6.269 -7.119 1.00 1.33 C ATOM 437 CD LYS A 46 -1.791 -6.053 -8.176 1.00 1.76 C ATOM 438 CE LYS A 46 -2.851 -5.076 -7.704 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.749 -4.670 -8.811 1.00 2.08 N ATOM 0 H LYS A 46 2.338 -8.046 -8.894 1.00 1.33 H new ATOM 0 HA LYS A 46 0.615 -5.908 -9.498 1.00 1.28 H new ATOM 0 HB2 LYS A 46 0.109 -7.958 -8.134 1.00 1.31 H new ATOM 0 HB3 LYS A 46 1.119 -7.322 -6.852 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -1.149 -6.816 -6.278 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -0.390 -5.305 -6.736 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -1.329 -5.677 -9.089 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -2.258 -7.006 -8.424 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -3.438 -5.532 -6.907 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -2.371 -4.193 -7.281 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -4.277 -3.818 -8.535 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -3.184 -4.467 -9.660 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -4.417 -5.440 -9.016 1.00 2.08 H new ATOM 453 N LEU A 47 3.097 -5.259 -7.460 1.00 1.18 N ATOM 454 CA LEU A 47 3.849 -4.201 -6.793 1.00 1.15 C ATOM 455 C LEU A 47 4.270 -3.135 -7.797 1.00 1.18 C ATOM 456 O LEU A 47 4.216 -1.937 -7.520 1.00 1.20 O ATOM 457 CB LEU A 47 5.102 -4.784 -6.118 1.00 1.21 C ATOM 458 CG LEU A 47 4.915 -5.340 -4.701 1.00 1.64 C ATOM 459 CD1 LEU A 47 4.521 -4.233 -3.742 1.00 2.54 C ATOM 460 CD2 LEU A 47 3.880 -6.459 -4.683 1.00 2.22 C ATOM 0 H LEU A 47 3.547 -6.174 -7.426 1.00 1.18 H new ATOM 0 HA LEU A 47 3.206 -3.750 -6.037 1.00 1.15 H new ATOM 0 HB2 LEU A 47 5.491 -5.582 -6.750 1.00 1.21 H new ATOM 0 HB3 LEU A 47 5.864 -4.006 -6.082 1.00 1.21 H new ATOM 0 HG LEU A 47 5.867 -5.758 -4.375 1.00 1.64 H new ATOM 0 HD11 LEU A 47 4.393 -4.647 -2.742 1.00 2.54 H new ATOM 0 HD12 LEU A 47 5.302 -3.473 -3.723 1.00 2.54 H new ATOM 0 HD13 LEU A 47 3.585 -3.783 -4.071 1.00 2.54 H new ATOM 0 HD21 LEU A 47 3.768 -6.834 -3.666 1.00 2.22 H new ATOM 0 HD22 LEU A 47 2.923 -6.075 -5.036 1.00 2.22 H new ATOM 0 HD23 LEU A 47 4.208 -7.269 -5.335 1.00 2.22 H new ATOM 472 N LYS A 48 4.662 -3.590 -8.977 1.00 1.25 N ATOM 473 CA LYS A 48 5.125 -2.702 -10.031 1.00 1.37 C ATOM 474 C LYS A 48 3.989 -1.870 -10.626 1.00 1.38 C ATOM 475 O LYS A 48 4.080 -0.644 -10.685 1.00 1.43 O ATOM 476 CB LYS A 48 5.809 -3.513 -11.138 1.00 1.53 C ATOM 477 CG LYS A 48 6.942 -4.396 -10.634 1.00 1.58 C ATOM 478 CD LYS A 48 7.485 -5.305 -11.731 1.00 1.80 C ATOM 479 CE LYS A 48 8.314 -4.533 -12.747 1.00 2.01 C ATOM 480 NZ LYS A 48 8.981 -5.440 -13.720 1.00 2.26 N ATOM 0 H LYS A 48 4.668 -4.578 -9.230 1.00 1.25 H new ATOM 0 HA LYS A 48 5.839 -2.011 -9.583 1.00 1.37 H new ATOM 0 HB2 LYS A 48 5.065 -4.138 -11.632 1.00 1.53 H new ATOM 0 HB3 LYS A 48 6.200 -2.828 -11.890 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.747 -3.770 -10.250 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.586 -5.004 -9.802 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.096 -6.089 -11.284 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.656 -5.798 -12.238 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.673 -3.833 -13.283 1.00 2.01 H new ATOM 0 HE3 LYS A 48 9.067 -3.941 -12.227 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 9.424 -4.876 -14.473 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.710 -5.998 -13.231 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.276 -6.081 -14.136 1.00 2.26 H new ATOM 494 N GLU A 49 2.917 -2.533 -11.045 1.00 1.39 N ATOM 495 CA GLU A 49 1.792 -1.840 -11.674 1.00 1.46 C ATOM 496 C GLU A 49 1.071 -0.888 -10.719 1.00 1.40 C ATOM 497 O GLU A 49 0.818 0.263 -11.075 1.00 1.51 O ATOM 498 CB GLU A 49 0.794 -2.837 -12.280 1.00 1.52 C ATOM 499 CG GLU A 49 0.190 -3.817 -11.287 1.00 1.45 C ATOM 500 CD GLU A 49 -1.175 -4.314 -11.720 1.00 1.63 C ATOM 501 OE1 GLU A 49 -1.309 -4.776 -12.871 1.00 1.88 O ATOM 502 OE2 GLU A 49 -2.124 -4.248 -10.912 1.00 1.70 O ATOM 0 H GLU A 49 2.801 -3.543 -10.963 1.00 1.39 H new ATOM 0 HA GLU A 49 2.219 -1.234 -12.473 1.00 1.46 H new ATOM 0 HB2 GLU A 49 -0.013 -2.279 -12.755 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.297 -3.401 -13.066 1.00 1.52 H new ATOM 0 HG2 GLU A 49 0.861 -4.667 -11.166 1.00 1.45 H new ATOM 0 HG3 GLU A 49 0.106 -3.336 -10.312 1.00 1.45 H new ATOM 509 N SER A 50 0.766 -1.348 -9.513 1.00 1.30 N ATOM 510 CA SER A 50 0.052 -0.526 -8.543 1.00 1.32 C ATOM 511 C SER A 50 0.819 0.746 -8.207 1.00 1.33 C ATOM 512 O SER A 50 0.228 1.820 -8.068 1.00 1.46 O ATOM 513 CB SER A 50 -0.213 -1.323 -7.274 1.00 1.26 C ATOM 514 OG SER A 50 -0.788 -2.582 -7.580 1.00 1.37 O ATOM 0 H SER A 50 1.001 -2.284 -9.183 1.00 1.30 H new ATOM 0 HA SER A 50 -0.896 -0.234 -8.994 1.00 1.32 H new ATOM 0 HB2 SER A 50 0.720 -1.467 -6.729 1.00 1.26 H new ATOM 0 HB3 SER A 50 -0.881 -0.762 -6.620 1.00 1.26 H new ATOM 0 HG SER A 50 -0.126 -3.289 -7.431 1.00 1.37 H new ATOM 520 N TYR A 51 2.136 0.637 -8.092 1.00 1.26 N ATOM 521 CA TYR A 51 2.948 1.795 -7.775 1.00 1.33 C ATOM 522 C TYR A 51 2.964 2.767 -8.949 1.00 1.50 C ATOM 523 O TYR A 51 2.863 3.979 -8.762 1.00 1.62 O ATOM 524 CB TYR A 51 4.373 1.379 -7.411 1.00 1.28 C ATOM 525 CG TYR A 51 5.134 2.438 -6.641 1.00 1.35 C ATOM 526 CD1 TYR A 51 4.847 2.704 -5.312 1.00 1.35 C ATOM 527 CD2 TYR A 51 6.135 3.170 -7.249 1.00 1.54 C ATOM 528 CE1 TYR A 51 5.543 3.673 -4.610 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.838 4.140 -6.562 1.00 1.64 C ATOM 530 CZ TYR A 51 6.539 4.389 -5.244 1.00 1.56 C ATOM 531 OH TYR A 51 7.237 5.360 -4.557 1.00 1.69 O ATOM 0 H TYR A 51 2.656 -0.232 -8.213 1.00 1.26 H new ATOM 0 HA TYR A 51 2.508 2.294 -6.911 1.00 1.33 H new ATOM 0 HB2 TYR A 51 4.336 0.466 -6.817 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.919 1.143 -8.325 1.00 1.28 H new ATOM 0 HD1 TYR A 51 4.067 2.146 -4.815 1.00 1.35 H new ATOM 0 HD2 TYR A 51 6.373 2.980 -8.285 1.00 1.54 H new ATOM 0 HE1 TYR A 51 5.309 3.868 -3.574 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.618 4.699 -7.057 1.00 1.64 H new ATOM 0 HH TYR A 51 7.902 5.766 -5.151 1.00 1.69 H new ATOM 541 N CYS A 52 3.067 2.227 -10.161 1.00 1.55 N ATOM 542 CA CYS A 52 3.088 3.049 -11.366 1.00 1.74 C ATOM 543 C CYS A 52 1.786 3.835 -11.504 1.00 1.84 C ATOM 544 O CYS A 52 1.802 5.008 -11.879 1.00 1.99 O ATOM 545 CB CYS A 52 3.315 2.184 -12.607 1.00 1.82 C ATOM 546 SG CYS A 52 4.918 1.349 -12.647 1.00 1.82 S ATOM 0 H CYS A 52 3.137 1.224 -10.334 1.00 1.55 H new ATOM 0 HA CYS A 52 3.914 3.755 -11.279 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.526 1.434 -12.662 1.00 1.82 H new ATOM 0 HB3 CYS A 52 3.222 2.810 -13.494 1.00 1.82 H new ATOM 0 HG CYS A 52 4.888 0.314 -11.861 1.00 1.82 H new ATOM 552 N GLN A 53 0.663 3.187 -11.198 1.00 1.79 N ATOM 553 CA GLN A 53 -0.643 3.836 -11.272 1.00 1.94 C ATOM 554 C GLN A 53 -0.699 5.003 -10.297 1.00 1.99 C ATOM 555 O GLN A 53 -1.203 6.079 -10.618 1.00 2.17 O ATOM 556 CB GLN A 53 -1.765 2.845 -10.950 1.00 1.91 C ATOM 557 CG GLN A 53 -1.818 1.653 -11.890 1.00 1.94 C ATOM 558 CD GLN A 53 -2.783 0.587 -11.411 1.00 1.90 C ATOM 559 OE1 GLN A 53 -3.035 0.450 -10.213 1.00 1.86 O ATOM 560 NE2 GLN A 53 -3.318 -0.189 -12.340 1.00 2.00 N ATOM 0 H GLN A 53 0.632 2.213 -10.897 1.00 1.79 H new ATOM 0 HA GLN A 53 -0.784 4.202 -12.289 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.638 2.485 -9.929 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -2.721 3.368 -10.987 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.115 1.989 -12.883 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -0.821 1.222 -11.984 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -3.084 -0.044 -13.322 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -3.964 -0.932 -12.074 1.00 2.00 H new ATOM 569 N ARG A 54 -0.159 4.787 -9.105 1.00 1.86 N ATOM 570 CA ARG A 54 -0.132 5.817 -8.080 1.00 1.94 C ATOM 571 C ARG A 54 0.738 6.991 -8.522 1.00 2.02 C ATOM 572 O ARG A 54 0.361 8.151 -8.359 1.00 2.17 O ATOM 573 CB ARG A 54 0.377 5.236 -6.760 1.00 1.82 C ATOM 574 CG ARG A 54 0.781 6.293 -5.745 1.00 2.10 C ATOM 575 CD ARG A 54 0.990 5.695 -4.367 1.00 1.80 C ATOM 576 NE ARG A 54 1.746 6.586 -3.493 1.00 1.77 N ATOM 577 CZ ARG A 54 1.581 6.650 -2.175 1.00 1.81 C ATOM 578 NH1 ARG A 54 0.647 5.914 -1.583 1.00 1.85 N ATOM 579 NH2 ARG A 54 2.336 7.465 -1.451 1.00 1.89 N ATOM 0 H ARG A 54 0.267 3.904 -8.825 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.147 6.184 -7.929 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.400 4.606 -6.326 1.00 1.82 H new ATOM 0 HB3 ARG A 54 1.233 4.592 -6.962 1.00 1.82 H new ATOM 0 HG2 ARG A 54 1.699 6.781 -6.073 1.00 2.10 H new ATOM 0 HG3 ARG A 54 0.011 7.063 -5.695 1.00 2.10 H new ATOM 0 HD2 ARG A 54 0.022 5.479 -3.915 1.00 1.80 H new ATOM 0 HD3 ARG A 54 1.517 4.745 -4.460 1.00 1.80 H new ATOM 0 HE ARG A 54 2.443 7.197 -3.919 1.00 1.77 H new ATOM 0 HH11 ARG A 54 0.054 5.298 -2.140 1.00 1.85 H new ATOM 0 HH12 ARG A 54 0.522 5.965 -0.572 1.00 1.85 H new ATOM 0 HH21 ARG A 54 3.043 8.043 -1.905 1.00 1.89 H new ATOM 0 HH22 ARG A 54 2.209 7.514 -0.440 1.00 1.89 H new ATOM 593 N GLN A 55 1.900 6.684 -9.091 1.00 1.96 N ATOM 594 CA GLN A 55 2.813 7.721 -9.561 1.00 2.07 C ATOM 595 C GLN A 55 2.232 8.431 -10.776 1.00 2.27 C ATOM 596 O GLN A 55 2.555 9.589 -11.048 1.00 2.41 O ATOM 597 CB GLN A 55 4.177 7.121 -9.913 1.00 2.01 C ATOM 598 CG GLN A 55 4.869 6.437 -8.745 1.00 1.84 C ATOM 599 CD GLN A 55 5.003 7.330 -7.527 1.00 1.98 C ATOM 600 OE1 GLN A 55 4.139 7.333 -6.647 1.00 1.96 O ATOM 601 NE2 GLN A 55 6.084 8.090 -7.463 1.00 2.24 N ATOM 0 H GLN A 55 2.231 5.730 -9.237 1.00 1.96 H new ATOM 0 HA GLN A 55 2.946 8.445 -8.757 1.00 2.07 H new ATOM 0 HB2 GLN A 55 4.048 6.399 -10.720 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.824 7.912 -10.293 1.00 2.01 H new ATOM 0 HG2 GLN A 55 4.309 5.542 -8.472 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.860 6.110 -9.059 1.00 1.84 H new ATOM 0 HE21 GLN A 55 6.775 8.058 -8.212 1.00 2.24 H new ATOM 0 HE22 GLN A 55 6.226 8.708 -6.664 1.00 2.24 H new ATOM 610 N GLY A 56 1.366 7.733 -11.494 1.00 2.29 N ATOM 611 CA GLY A 56 0.749 8.297 -12.670 1.00 2.49 C ATOM 612 C GLY A 56 1.632 8.128 -13.886 1.00 2.55 C ATOM 613 O GLY A 56 1.764 9.042 -14.698 1.00 2.74 O ATOM 0 H GLY A 56 1.079 6.778 -11.279 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.213 7.815 -12.846 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.549 9.356 -12.507 1.00 2.49 H new ATOM 617 N VAL A 57 2.259 6.962 -13.992 1.00 2.42 N ATOM 618 CA VAL A 57 3.143 6.658 -15.105 1.00 2.52 C ATOM 619 C VAL A 57 2.874 5.247 -15.622 1.00 2.44 C ATOM 620 O VAL A 57 2.346 4.407 -14.889 1.00 2.26 O ATOM 621 CB VAL A 57 4.632 6.779 -14.697 1.00 2.52 C ATOM 622 CG1 VAL A 57 4.963 8.204 -14.272 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.971 5.795 -13.584 1.00 2.31 C ATOM 0 H VAL A 57 2.168 6.207 -13.312 1.00 2.42 H new ATOM 0 HA VAL A 57 2.941 7.384 -15.892 1.00 2.52 H new ATOM 0 HB VAL A 57 5.241 6.532 -15.567 1.00 2.52 H new ATOM 0 HG11 VAL A 57 6.014 8.265 -13.990 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.770 8.885 -15.101 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.342 8.483 -13.421 1.00 2.66 H new ATOM 0 HG21 VAL A 57 6.022 5.899 -13.314 1.00 2.31 H new ATOM 0 HG22 VAL A 57 4.351 6.004 -12.712 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.783 4.778 -13.928 1.00 2.31 H new ATOM 633 N PRO A 58 3.205 4.974 -16.894 1.00 2.60 N ATOM 634 CA PRO A 58 3.008 3.654 -17.502 1.00 2.59 C ATOM 635 C PRO A 58 3.848 2.576 -16.821 1.00 2.43 C ATOM 636 O PRO A 58 4.955 2.845 -16.338 1.00 2.41 O ATOM 637 CB PRO A 58 3.466 3.844 -18.954 1.00 2.86 C ATOM 638 CG PRO A 58 3.459 5.317 -19.177 1.00 2.93 C ATOM 639 CD PRO A 58 3.786 5.930 -17.850 1.00 2.84 C ATOM 0 HA PRO A 58 1.974 3.320 -17.412 1.00 2.59 H new ATOM 0 HB2 PRO A 58 4.461 3.427 -19.111 1.00 2.86 H new ATOM 0 HB3 PRO A 58 2.795 3.338 -19.648 1.00 2.86 H new ATOM 0 HG2 PRO A 58 4.192 5.602 -19.931 1.00 2.93 H new ATOM 0 HG3 PRO A 58 2.486 5.654 -19.535 1.00 2.93 H new ATOM 0 HD2 PRO A 58 4.861 6.039 -17.709 1.00 2.84 H new ATOM 0 HD3 PRO A 58 3.349 6.923 -17.745 1.00 2.84 H new ATOM 647 N MET A 59 3.327 1.353 -16.802 1.00 2.35 N ATOM 648 CA MET A 59 4.015 0.226 -16.178 1.00 2.23 C ATOM 649 C MET A 59 5.153 -0.279 -17.068 1.00 2.37 C ATOM 650 O MET A 59 5.166 -1.432 -17.505 1.00 2.52 O ATOM 651 CB MET A 59 3.023 -0.908 -15.897 1.00 2.17 C ATOM 652 CG MET A 59 3.603 -2.028 -15.051 1.00 2.10 C ATOM 653 SD MET A 59 2.643 -3.549 -15.153 1.00 1.99 S ATOM 654 CE MET A 59 3.635 -4.622 -14.122 1.00 1.73 C ATOM 0 H MET A 59 2.425 1.116 -17.214 1.00 2.35 H new ATOM 0 HA MET A 59 4.443 0.567 -15.235 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.149 -0.498 -15.392 1.00 2.17 H new ATOM 0 HB3 MET A 59 2.678 -1.321 -16.845 1.00 2.17 H new ATOM 0 HG2 MET A 59 4.626 -2.227 -15.372 1.00 2.10 H new ATOM 0 HG3 MET A 59 3.652 -1.704 -14.011 1.00 2.10 H new ATOM 0 HE1 MET A 59 3.469 -5.660 -14.411 1.00 1.73 H new ATOM 0 HE2 MET A 59 4.689 -4.375 -14.248 1.00 1.73 H new ATOM 0 HE3 MET A 59 3.353 -4.486 -13.078 1.00 1.73 H new ATOM 664 N ASN A 60 6.108 0.596 -17.318 1.00 2.55 N ATOM 665 CA ASN A 60 7.252 0.277 -18.158 1.00 2.74 C ATOM 666 C ASN A 60 8.289 1.389 -18.059 1.00 2.80 C ATOM 667 O ASN A 60 9.458 1.203 -18.393 1.00 2.93 O ATOM 668 CB ASN A 60 6.800 0.092 -19.612 1.00 3.07 C ATOM 669 CG ASN A 60 7.829 -0.606 -20.485 1.00 3.37 C ATOM 670 OD1 ASN A 60 8.645 -1.463 -19.893 1.00 3.65 O flip ATOM 671 ND2 ASN A 60 7.882 -0.383 -21.694 1.00 3.50 N flip ATOM 0 H ASN A 60 6.115 1.546 -16.947 1.00 2.55 H new ATOM 0 HA ASN A 60 7.702 -0.654 -17.815 1.00 2.74 H new ATOM 0 HB2 ASN A 60 5.874 -0.483 -19.625 1.00 3.07 H new ATOM 0 HB3 ASN A 60 6.575 1.069 -20.041 1.00 3.07 H new ATOM 0 HD21 ASN A 60 7.238 0.284 -22.118 1.00 3.50 H new ATOM 0 HD22 ASN A 60 8.570 -0.865 -22.272 1.00 3.50 H new ATOM 678 N SER A 61 7.846 2.549 -17.588 1.00 2.74 N ATOM 679 CA SER A 61 8.720 3.702 -17.433 1.00 2.82 C ATOM 680 C SER A 61 9.516 3.633 -16.130 1.00 2.72 C ATOM 681 O SER A 61 10.460 4.398 -15.933 1.00 2.87 O ATOM 682 CB SER A 61 7.882 4.977 -17.460 1.00 2.82 C ATOM 683 OG SER A 61 6.825 4.862 -18.399 1.00 2.71 O ATOM 0 H SER A 61 6.880 2.715 -17.306 1.00 2.74 H new ATOM 0 HA SER A 61 9.432 3.704 -18.258 1.00 2.82 H new ATOM 0 HB2 SER A 61 7.474 5.171 -16.468 1.00 2.82 H new ATOM 0 HB3 SER A 61 8.513 5.828 -17.718 1.00 2.82 H new ATOM 0 HG SER A 61 7.197 4.756 -19.299 1.00 2.71 H new ATOM 689 N LEU A 62 9.138 2.721 -15.246 1.00 2.52 N ATOM 690 CA LEU A 62 9.822 2.576 -13.969 1.00 2.44 C ATOM 691 C LEU A 62 10.379 1.169 -13.800 1.00 2.42 C ATOM 692 O LEU A 62 9.734 0.182 -14.161 1.00 2.36 O ATOM 693 CB LEU A 62 8.871 2.887 -12.809 1.00 2.21 C ATOM 694 CG LEU A 62 8.393 4.339 -12.714 1.00 2.26 C ATOM 695 CD1 LEU A 62 7.527 4.532 -11.479 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.577 5.294 -12.685 1.00 2.43 C ATOM 0 H LEU A 62 8.364 2.072 -15.389 1.00 2.52 H new ATOM 0 HA LEU A 62 10.649 3.285 -13.959 1.00 2.44 H new ATOM 0 HB2 LEU A 62 7.997 2.241 -12.896 1.00 2.21 H new ATOM 0 HB3 LEU A 62 9.369 2.626 -11.875 1.00 2.21 H new ATOM 0 HG LEU A 62 7.795 4.561 -13.598 1.00 2.26 H new ATOM 0 HD11 LEU A 62 7.195 5.569 -11.426 1.00 2.10 H new ATOM 0 HD12 LEU A 62 6.659 3.876 -11.537 1.00 2.10 H new ATOM 0 HD13 LEU A 62 8.106 4.290 -10.587 1.00 2.10 H new ATOM 0 HD21 LEU A 62 9.215 6.320 -12.617 1.00 2.43 H new ATOM 0 HD22 LEU A 62 10.202 5.072 -11.820 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.163 5.175 -13.597 1.00 2.43 H new ATOM 708 N ARG A 63 11.584 1.083 -13.256 1.00 2.50 N ATOM 709 CA ARG A 63 12.219 -0.199 -13.015 1.00 2.52 C ATOM 710 C ARG A 63 12.460 -0.376 -11.522 1.00 2.38 C ATOM 711 O ARG A 63 13.002 0.512 -10.857 1.00 2.41 O ATOM 712 CB ARG A 63 13.531 -0.333 -13.795 1.00 2.78 C ATOM 713 CG ARG A 63 14.572 0.728 -13.468 1.00 2.88 C ATOM 714 CD ARG A 63 15.887 0.438 -14.169 1.00 3.08 C ATOM 715 NE ARG A 63 16.888 1.471 -13.909 1.00 3.22 N ATOM 716 CZ ARG A 63 17.280 2.380 -14.804 1.00 3.35 C ATOM 717 NH1 ARG A 63 16.774 2.384 -16.033 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.190 3.287 -14.471 1.00 3.47 N ATOM 0 H ARG A 63 12.141 1.890 -12.973 1.00 2.50 H new ATOM 0 HA ARG A 63 11.552 -0.985 -13.368 1.00 2.52 H new ATOM 0 HB2 ARG A 63 13.958 -1.316 -13.596 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.311 -0.291 -14.862 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.204 1.708 -13.770 1.00 2.88 H new ATOM 0 HG3 ARG A 63 14.731 0.766 -12.390 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.269 -0.528 -13.838 1.00 3.08 H new ATOM 0 HD3 ARG A 63 15.716 0.362 -15.243 1.00 3.08 H new ATOM 0 HE ARG A 63 17.315 1.499 -12.983 1.00 3.22 H new ATOM 0 HH11 ARG A 63 16.079 1.687 -16.300 1.00 3.39 H new ATOM 0 HH12 ARG A 63 17.081 3.084 -16.709 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.589 3.289 -13.532 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.491 3.982 -15.154 1.00 3.47 H new ATOM 732 N PHE A 64 12.027 -1.508 -10.996 1.00 2.24 N ATOM 733 CA PHE A 64 12.187 -1.806 -9.582 1.00 2.11 C ATOM 734 C PHE A 64 13.407 -2.684 -9.363 1.00 2.29 C ATOM 735 O PHE A 64 13.550 -3.730 -10.000 1.00 2.40 O ATOM 736 CB PHE A 64 10.931 -2.493 -9.039 1.00 1.87 C ATOM 737 CG PHE A 64 9.728 -1.595 -9.000 1.00 1.69 C ATOM 738 CD1 PHE A 64 9.037 -1.291 -10.161 1.00 1.73 C ATOM 739 CD2 PHE A 64 9.292 -1.051 -7.804 1.00 1.54 C ATOM 740 CE1 PHE A 64 7.935 -0.463 -10.130 1.00 1.64 C ATOM 741 CE2 PHE A 64 8.190 -0.222 -7.767 1.00 1.43 C ATOM 742 CZ PHE A 64 7.511 0.073 -8.932 1.00 1.49 C ATOM 0 H PHE A 64 11.559 -2.241 -11.530 1.00 2.24 H new ATOM 0 HA PHE A 64 12.332 -0.870 -9.042 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.706 -3.362 -9.657 1.00 1.87 H new ATOM 0 HB3 PHE A 64 11.133 -2.860 -8.033 1.00 1.87 H new ATOM 0 HD1 PHE A 64 9.365 -1.707 -11.102 1.00 1.73 H new ATOM 0 HD2 PHE A 64 9.820 -1.278 -6.890 1.00 1.54 H new ATOM 0 HE1 PHE A 64 7.405 -0.234 -11.043 1.00 1.64 H new ATOM 0 HE2 PHE A 64 7.859 0.196 -6.828 1.00 1.43 H new ATOM 0 HZ PHE A 64 6.649 0.723 -8.905 1.00 1.49 H new ATOM 752 N LEU A 65 14.283 -2.249 -8.475 1.00 2.35 N ATOM 753 CA LEU A 65 15.497 -2.982 -8.174 1.00 2.54 C ATOM 754 C LEU A 65 15.475 -3.502 -6.746 1.00 2.45 C ATOM 755 O LEU A 65 15.069 -2.797 -5.819 1.00 2.29 O ATOM 756 CB LEU A 65 16.729 -2.092 -8.370 1.00 2.77 C ATOM 757 CG LEU A 65 16.926 -1.523 -9.779 1.00 2.97 C ATOM 758 CD1 LEU A 65 18.195 -0.692 -9.839 1.00 3.16 C ATOM 759 CD2 LEU A 65 16.974 -2.637 -10.812 1.00 3.20 C ATOM 0 H LEU A 65 14.173 -1.384 -7.946 1.00 2.35 H new ATOM 0 HA LEU A 65 15.551 -3.827 -8.860 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.668 -1.260 -7.668 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.615 -2.668 -8.105 1.00 2.77 H new ATOM 0 HG LEU A 65 16.075 -0.882 -10.010 1.00 2.97 H new ATOM 0 HD11 LEU A 65 18.322 -0.294 -10.846 1.00 3.16 H new ATOM 0 HD12 LEU A 65 18.124 0.132 -9.129 1.00 3.16 H new ATOM 0 HD13 LEU A 65 19.051 -1.317 -9.585 1.00 3.16 H new ATOM 0 HD21 LEU A 65 17.114 -2.208 -11.804 1.00 3.20 H new ATOM 0 HD22 LEU A 65 17.803 -3.307 -10.586 1.00 3.20 H new ATOM 0 HD23 LEU A 65 16.039 -3.196 -10.788 1.00 3.20 H new ATOM 771 N PHE A 66 15.903 -4.739 -6.586 1.00 2.57 N ATOM 772 CA PHE A 66 15.971 -5.381 -5.291 1.00 2.54 C ATOM 773 C PHE A 66 17.373 -5.928 -5.098 1.00 2.84 C ATOM 774 O PHE A 66 17.725 -6.974 -5.655 1.00 2.97 O ATOM 775 CB PHE A 66 14.940 -6.505 -5.195 1.00 2.37 C ATOM 776 CG PHE A 66 14.818 -7.099 -3.822 1.00 2.35 C ATOM 777 CD1 PHE A 66 14.241 -6.376 -2.793 1.00 2.20 C ATOM 778 CD2 PHE A 66 15.278 -8.381 -3.561 1.00 2.54 C ATOM 779 CE1 PHE A 66 14.121 -6.919 -1.531 1.00 2.24 C ATOM 780 CE2 PHE A 66 15.162 -8.929 -2.298 1.00 2.56 C ATOM 781 CZ PHE A 66 14.585 -8.197 -1.282 1.00 2.42 C ATOM 0 H PHE A 66 16.215 -5.329 -7.357 1.00 2.57 H new ATOM 0 HA PHE A 66 15.746 -4.657 -4.508 1.00 2.54 H new ATOM 0 HB2 PHE A 66 13.967 -6.121 -5.502 1.00 2.37 H new ATOM 0 HB3 PHE A 66 15.208 -7.293 -5.899 1.00 2.37 H new ATOM 0 HD1 PHE A 66 13.881 -5.375 -2.980 1.00 2.20 H new ATOM 0 HD2 PHE A 66 15.732 -8.957 -4.354 1.00 2.54 H new ATOM 0 HE1 PHE A 66 13.665 -6.346 -0.738 1.00 2.24 H new ATOM 0 HE2 PHE A 66 15.523 -9.929 -2.107 1.00 2.56 H new ATOM 0 HZ PHE A 66 14.496 -8.622 -0.293 1.00 2.42 H new ATOM 791 N GLU A 67 18.179 -5.190 -4.342 1.00 2.95 N ATOM 792 CA GLU A 67 19.561 -5.563 -4.068 1.00 3.25 C ATOM 793 C GLU A 67 20.390 -5.530 -5.351 1.00 3.44 C ATOM 794 O GLU A 67 21.329 -6.306 -5.524 1.00 3.64 O ATOM 795 CB GLU A 67 19.636 -6.949 -3.419 1.00 3.32 C ATOM 796 CG GLU A 67 18.865 -7.056 -2.111 1.00 3.20 C ATOM 797 CD GLU A 67 19.277 -8.262 -1.296 1.00 3.33 C ATOM 798 OE1 GLU A 67 20.482 -8.402 -1.008 1.00 3.62 O ATOM 799 OE2 GLU A 67 18.397 -9.069 -0.925 1.00 3.33 O ATOM 0 H GLU A 67 17.892 -4.316 -3.902 1.00 2.95 H new ATOM 0 HA GLU A 67 19.974 -4.837 -3.368 1.00 3.25 H new ATOM 0 HB2 GLU A 67 19.250 -7.690 -4.119 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.681 -7.198 -3.236 1.00 3.32 H new ATOM 0 HG2 GLU A 67 19.025 -6.152 -1.523 1.00 3.20 H new ATOM 0 HG3 GLU A 67 17.798 -7.113 -2.325 1.00 3.20 H new ATOM 806 N GLY A 68 20.022 -4.627 -6.252 1.00 3.41 N ATOM 807 CA GLY A 68 20.733 -4.494 -7.507 1.00 3.61 C ATOM 808 C GLY A 68 20.065 -5.248 -8.641 1.00 3.59 C ATOM 809 O GLY A 68 20.179 -4.862 -9.805 1.00 3.75 O ATOM 0 H GLY A 68 19.240 -3.982 -6.134 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.803 -3.439 -7.770 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.752 -4.860 -7.383 1.00 3.61 H new ATOM 813 N GLN A 69 19.356 -6.317 -8.305 1.00 3.41 N ATOM 814 CA GLN A 69 18.676 -7.129 -9.307 1.00 3.39 C ATOM 815 C GLN A 69 17.283 -6.573 -9.579 1.00 3.13 C ATOM 816 O GLN A 69 16.562 -6.225 -8.650 1.00 2.88 O ATOM 817 CB GLN A 69 18.593 -8.582 -8.837 1.00 3.42 C ATOM 818 CG GLN A 69 19.958 -9.217 -8.618 1.00 3.76 C ATOM 819 CD GLN A 69 20.764 -9.315 -9.898 1.00 4.25 C ATOM 820 OE1 GLN A 69 20.207 -9.507 -10.979 1.00 4.42 O ATOM 821 NE2 GLN A 69 22.074 -9.170 -9.790 1.00 4.67 N ATOM 0 H GLN A 69 19.236 -6.643 -7.346 1.00 3.41 H new ATOM 0 HA GLN A 69 19.247 -7.097 -10.235 1.00 3.39 H new ATOM 0 HB2 GLN A 69 18.025 -8.625 -7.907 1.00 3.42 H new ATOM 0 HB3 GLN A 69 18.042 -9.165 -9.574 1.00 3.42 H new ATOM 0 HG2 GLN A 69 20.514 -8.632 -7.886 1.00 3.76 H new ATOM 0 HG3 GLN A 69 19.828 -10.214 -8.197 1.00 3.76 H new ATOM 0 HE21 GLN A 69 22.496 -9.012 -8.875 1.00 4.67 H new ATOM 0 HE22 GLN A 69 22.662 -9.216 -10.622 1.00 4.67 H new ATOM 830 N ARG A 70 16.907 -6.484 -10.847 1.00 3.20 N ATOM 831 CA ARG A 70 15.604 -5.944 -11.207 1.00 2.98 C ATOM 832 C ARG A 70 14.491 -6.949 -10.929 1.00 2.82 C ATOM 833 O ARG A 70 14.653 -8.157 -11.116 1.00 2.96 O ATOM 834 CB ARG A 70 15.582 -5.494 -12.675 1.00 3.12 C ATOM 835 CG ARG A 70 15.295 -6.602 -13.674 1.00 3.34 C ATOM 836 CD ARG A 70 15.219 -6.059 -15.092 1.00 3.51 C ATOM 837 NE ARG A 70 14.173 -5.041 -15.240 1.00 3.29 N ATOM 838 CZ ARG A 70 14.316 -3.920 -15.951 1.00 3.31 C ATOM 839 NH1 ARG A 70 15.457 -3.667 -16.581 1.00 3.55 N ATOM 840 NH2 ARG A 70 13.312 -3.053 -16.036 1.00 3.17 N ATOM 0 H ARG A 70 17.481 -6.776 -11.638 1.00 3.20 H new ATOM 0 HA ARG A 70 15.425 -5.069 -10.582 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.829 -4.715 -12.791 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.545 -5.045 -12.918 1.00 3.12 H new ATOM 0 HG2 ARG A 70 16.076 -7.360 -13.614 1.00 3.34 H new ATOM 0 HG3 ARG A 70 14.355 -7.091 -13.418 1.00 3.34 H new ATOM 0 HD2 ARG A 70 16.183 -5.630 -15.367 1.00 3.51 H new ATOM 0 HD3 ARG A 70 15.026 -6.879 -15.784 1.00 3.51 H new ATOM 0 HE ARG A 70 13.281 -5.199 -14.771 1.00 3.29 H new ATOM 0 HH11 ARG A 70 16.230 -4.331 -16.523 1.00 3.55 H new ATOM 0 HH12 ARG A 70 15.561 -2.809 -17.123 1.00 3.55 H new ATOM 0 HH21 ARG A 70 12.431 -3.244 -15.558 1.00 3.17 H new ATOM 0 HH22 ARG A 70 13.422 -2.197 -16.579 1.00 3.17 H new ATOM 854 N ILE A 71 13.365 -6.431 -10.466 1.00 2.55 N ATOM 855 CA ILE A 71 12.204 -7.250 -10.151 1.00 2.38 C ATOM 856 C ILE A 71 11.432 -7.610 -11.416 1.00 2.44 C ATOM 857 O ILE A 71 10.918 -6.732 -12.118 1.00 2.40 O ATOM 858 CB ILE A 71 11.265 -6.522 -9.163 1.00 2.07 C ATOM 859 CG1 ILE A 71 11.937 -6.374 -7.795 1.00 2.04 C ATOM 860 CG2 ILE A 71 9.938 -7.258 -9.027 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.335 -7.692 -7.165 1.00 2.17 C ATOM 0 H ILE A 71 13.229 -5.434 -10.298 1.00 2.55 H new ATOM 0 HA ILE A 71 12.567 -8.166 -9.684 1.00 2.38 H new ATOM 0 HB ILE A 71 11.062 -5.528 -9.561 1.00 2.07 H new ATOM 0 HG12 ILE A 71 12.824 -5.750 -7.902 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.258 -5.850 -7.122 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.296 -6.724 -8.326 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.449 -7.309 -10.000 1.00 1.92 H new ATOM 0 HG23 ILE A 71 10.118 -8.268 -8.658 1.00 1.92 H new ATOM 0 HD11 ILE A 71 12.804 -7.506 -6.199 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.449 -8.311 -7.025 1.00 2.17 H new ATOM 0 HD13 ILE A 71 13.039 -8.209 -7.817 1.00 2.17 H new ATOM 873 N ALA A 72 11.362 -8.899 -11.707 1.00 2.56 N ATOM 874 CA ALA A 72 10.643 -9.376 -12.875 1.00 2.64 C ATOM 875 C ALA A 72 9.165 -9.538 -12.553 1.00 2.42 C ATOM 876 O ALA A 72 8.791 -9.734 -11.397 1.00 2.27 O ATOM 877 CB ALA A 72 11.229 -10.686 -13.373 1.00 2.89 C ATOM 0 H ALA A 72 11.796 -9.634 -11.149 1.00 2.56 H new ATOM 0 HA ALA A 72 10.748 -8.637 -13.669 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.674 -11.023 -14.248 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.275 -10.538 -13.641 1.00 2.89 H new ATOM 0 HB3 ALA A 72 11.159 -11.438 -12.587 1.00 2.89 H new ATOM 883 N ASP A 73 8.336 -9.458 -13.580 1.00 2.44 N ATOM 884 CA ASP A 73 6.889 -9.574 -13.419 1.00 2.28 C ATOM 885 C ASP A 73 6.480 -10.976 -12.980 1.00 2.31 C ATOM 886 O ASP A 73 5.465 -11.150 -12.309 1.00 2.17 O ATOM 887 CB ASP A 73 6.186 -9.218 -14.731 1.00 2.32 C ATOM 888 CG ASP A 73 6.124 -7.724 -14.980 1.00 2.24 C ATOM 889 OD1 ASP A 73 7.169 -7.048 -14.868 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.029 -7.219 -15.305 1.00 2.18 O ATOM 0 H ASP A 73 8.639 -9.312 -14.543 1.00 2.44 H new ATOM 0 HA ASP A 73 6.587 -8.876 -12.638 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.708 -9.698 -15.559 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.173 -9.621 -14.716 1.00 2.32 H new ATOM 895 N ASN A 74 7.280 -11.970 -13.341 1.00 2.53 N ATOM 896 CA ASN A 74 6.975 -13.358 -12.991 1.00 2.61 C ATOM 897 C ASN A 74 7.574 -13.739 -11.638 1.00 2.56 C ATOM 898 O ASN A 74 7.477 -14.888 -11.204 1.00 2.62 O ATOM 899 CB ASN A 74 7.487 -14.313 -14.079 1.00 2.89 C ATOM 900 CG ASN A 74 8.989 -14.547 -14.016 1.00 3.10 C ATOM 901 OD1 ASN A 74 9.757 -13.672 -13.611 1.00 3.20 O ATOM 902 ND2 ASN A 74 9.418 -15.731 -14.424 1.00 3.29 N ATOM 0 H ASN A 74 8.141 -11.846 -13.873 1.00 2.53 H new ATOM 0 HA ASN A 74 5.891 -13.447 -12.919 1.00 2.61 H new ATOM 0 HB2 ASN A 74 6.973 -15.270 -13.984 1.00 2.89 H new ATOM 0 HB3 ASN A 74 7.230 -13.909 -15.058 1.00 2.89 H new ATOM 0 HD21 ASN A 74 10.415 -15.945 -14.410 1.00 3.29 H new ATOM 0 HD22 ASN A 74 8.751 -16.430 -14.752 1.00 3.29 H new ATOM 909 N HIS A 75 8.179 -12.769 -10.968 1.00 2.48 N ATOM 910 CA HIS A 75 8.801 -13.010 -9.674 1.00 2.46 C ATOM 911 C HIS A 75 7.795 -12.873 -8.541 1.00 2.21 C ATOM 912 O HIS A 75 6.832 -12.106 -8.627 1.00 2.00 O ATOM 913 CB HIS A 75 9.963 -12.040 -9.451 1.00 2.47 C ATOM 914 CG HIS A 75 11.262 -12.514 -10.019 1.00 2.75 C ATOM 915 ND1 HIS A 75 11.379 -13.217 -11.196 1.00 3.12 N ATOM 916 CD2 HIS A 75 12.523 -12.370 -9.543 1.00 2.97 C ATOM 917 CE1 HIS A 75 12.675 -13.476 -11.392 1.00 3.27 C ATOM 918 NE2 HIS A 75 13.413 -12.982 -10.417 1.00 3.17 N ATOM 0 H HIS A 75 8.252 -11.807 -11.299 1.00 2.48 H new ATOM 0 HA HIS A 75 9.179 -14.032 -9.676 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.712 -11.078 -9.897 1.00 2.47 H new ATOM 0 HB3 HIS A 75 10.084 -11.873 -8.381 1.00 2.47 H new ATOM 0 HD1 HIS A 75 10.612 -13.492 -11.810 1.00 3.12 H new ATOM 0 HD2 HIS A 75 12.793 -11.861 -8.630 1.00 2.97 H new ATOM 0 HE1 HIS A 75 13.067 -14.019 -12.239 1.00 3.27 H new ATOM 926 N THR A 76 8.020 -13.634 -7.486 1.00 2.27 N ATOM 927 CA THR A 76 7.163 -13.603 -6.318 1.00 2.09 C ATOM 928 C THR A 76 7.953 -13.134 -5.101 1.00 2.05 C ATOM 929 O THR A 76 9.180 -13.234 -5.084 1.00 2.19 O ATOM 930 CB THR A 76 6.567 -14.996 -6.036 1.00 2.22 C ATOM 931 OG1 THR A 76 7.608 -15.982 -6.000 1.00 2.32 O ATOM 932 CG2 THR A 76 5.542 -15.375 -7.091 1.00 2.53 C ATOM 0 H THR A 76 8.799 -14.288 -7.416 1.00 2.27 H new ATOM 0 HA THR A 76 6.348 -12.907 -6.515 1.00 2.09 H new ATOM 0 HB THR A 76 6.069 -14.958 -5.067 1.00 2.22 H new ATOM 0 HG1 THR A 76 8.022 -16.053 -6.885 1.00 2.32 H new ATOM 0 HG21 THR A 76 5.138 -16.362 -6.867 1.00 2.53 H new ATOM 0 HG22 THR A 76 4.734 -14.644 -7.092 1.00 2.53 H new ATOM 0 HG23 THR A 76 6.018 -15.391 -8.071 1.00 2.53 H new ATOM 940 N PRO A 77 7.272 -12.615 -4.062 1.00 1.92 N ATOM 941 CA PRO A 77 7.937 -12.144 -2.841 1.00 1.92 C ATOM 942 C PRO A 77 8.574 -13.291 -2.059 1.00 2.13 C ATOM 943 O PRO A 77 9.332 -13.077 -1.113 1.00 2.21 O ATOM 944 CB PRO A 77 6.807 -11.497 -2.027 1.00 1.76 C ATOM 945 CG PRO A 77 5.668 -11.333 -2.977 1.00 1.66 C ATOM 946 CD PRO A 77 5.813 -12.426 -3.993 1.00 1.81 C ATOM 0 HA PRO A 77 8.753 -11.456 -3.063 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.525 -12.125 -1.182 1.00 1.76 H new ATOM 0 HB3 PRO A 77 7.119 -10.535 -1.620 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.713 -11.408 -2.457 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.695 -10.353 -3.453 1.00 1.66 H new ATOM 0 HD2 PRO A 77 5.301 -13.337 -3.683 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.396 -12.139 -4.958 1.00 1.81 H new ATOM 954 N LYS A 78 8.251 -14.516 -2.459 1.00 2.23 N ATOM 955 CA LYS A 78 8.798 -15.707 -1.822 1.00 2.44 C ATOM 956 C LYS A 78 10.212 -15.967 -2.339 1.00 2.61 C ATOM 957 O LYS A 78 10.993 -16.701 -1.730 1.00 2.76 O ATOM 958 CB LYS A 78 7.891 -16.913 -2.107 1.00 2.48 C ATOM 959 CG LYS A 78 8.342 -18.211 -1.445 1.00 2.66 C ATOM 960 CD LYS A 78 8.167 -18.167 0.067 1.00 2.76 C ATOM 961 CE LYS A 78 6.699 -18.224 0.467 1.00 2.73 C ATOM 962 NZ LYS A 78 6.525 -18.259 1.944 1.00 2.92 N ATOM 0 H LYS A 78 7.608 -14.710 -3.227 1.00 2.23 H new ATOM 0 HA LYS A 78 8.843 -15.552 -0.744 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.881 -16.680 -1.771 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.841 -17.068 -3.185 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.770 -19.044 -1.853 1.00 2.66 H new ATOM 0 HG3 LYS A 78 9.389 -18.396 -1.684 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.700 -19.003 0.519 1.00 2.76 H new ATOM 0 HD3 LYS A 78 8.616 -17.254 0.459 1.00 2.76 H new ATOM 0 HE2 LYS A 78 6.179 -17.356 0.061 1.00 2.73 H new ATOM 0 HE3 LYS A 78 6.237 -19.108 0.026 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 5.511 -18.297 2.173 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 6.999 -19.100 2.330 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 6.943 -17.404 2.363 1.00 2.92 H new ATOM 976 N GLU A 79 10.533 -15.350 -3.464 1.00 2.62 N ATOM 977 CA GLU A 79 11.840 -15.498 -4.073 1.00 2.81 C ATOM 978 C GLU A 79 12.731 -14.323 -3.700 1.00 2.76 C ATOM 979 O GLU A 79 12.247 -13.306 -3.196 1.00 2.60 O ATOM 980 CB GLU A 79 11.708 -15.594 -5.592 1.00 2.89 C ATOM 981 CG GLU A 79 10.788 -16.710 -6.052 1.00 2.73 C ATOM 982 CD GLU A 79 10.461 -16.614 -7.523 1.00 2.84 C ATOM 983 OE1 GLU A 79 11.214 -17.179 -8.343 1.00 3.18 O ATOM 984 OE2 GLU A 79 9.444 -15.975 -7.866 1.00 2.70 O ATOM 0 H GLU A 79 9.899 -14.737 -3.976 1.00 2.62 H new ATOM 0 HA GLU A 79 12.295 -16.416 -3.701 1.00 2.81 H new ATOM 0 HB2 GLU A 79 11.335 -14.645 -5.977 1.00 2.89 H new ATOM 0 HB3 GLU A 79 12.696 -15.747 -6.025 1.00 2.89 H new ATOM 0 HG2 GLU A 79 11.258 -17.672 -5.849 1.00 2.73 H new ATOM 0 HG3 GLU A 79 9.864 -16.678 -5.474 1.00 2.73 H new ATOM 991 N LEU A 80 14.035 -14.491 -3.914 1.00 2.91 N ATOM 992 CA LEU A 80 15.034 -13.459 -3.626 1.00 2.90 C ATOM 993 C LEU A 80 15.190 -13.218 -2.124 1.00 2.89 C ATOM 994 O LEU A 80 16.009 -12.401 -1.705 1.00 3.04 O ATOM 995 CB LEU A 80 14.690 -12.143 -4.338 1.00 2.74 C ATOM 996 CG LEU A 80 14.647 -12.217 -5.867 1.00 2.80 C ATOM 997 CD1 LEU A 80 14.112 -10.917 -6.447 1.00 2.70 C ATOM 998 CD2 LEU A 80 16.029 -12.520 -6.427 1.00 2.94 C ATOM 0 H LEU A 80 14.432 -15.350 -4.294 1.00 2.91 H new ATOM 0 HA LEU A 80 15.987 -13.827 -4.007 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.720 -11.798 -3.980 1.00 2.74 H new ATOM 0 HB3 LEU A 80 15.423 -11.390 -4.048 1.00 2.74 H new ATOM 0 HG LEU A 80 13.975 -13.026 -6.153 1.00 2.80 H new ATOM 0 HD11 LEU A 80 14.088 -10.986 -7.535 1.00 2.70 H new ATOM 0 HD12 LEU A 80 13.104 -10.739 -6.072 1.00 2.70 H new ATOM 0 HD13 LEU A 80 14.760 -10.092 -6.150 1.00 2.70 H new ATOM 0 HD21 LEU A 80 15.978 -12.569 -7.515 1.00 2.94 H new ATOM 0 HD22 LEU A 80 16.722 -11.733 -6.131 1.00 2.94 H new ATOM 0 HD23 LEU A 80 16.378 -13.476 -6.037 1.00 2.94 H new ATOM 1010 N GLY A 81 14.411 -13.933 -1.320 1.00 2.76 N ATOM 1011 CA GLY A 81 14.494 -13.784 0.120 1.00 2.76 C ATOM 1012 C GLY A 81 13.956 -12.451 0.607 1.00 2.56 C ATOM 1013 O GLY A 81 14.585 -11.789 1.432 1.00 2.57 O ATOM 0 H GLY A 81 13.723 -14.614 -1.641 1.00 2.76 H new ATOM 0 HA2 GLY A 81 13.937 -14.591 0.597 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.533 -13.886 0.432 1.00 2.76 H new ATOM 1017 N MET A 82 12.798 -12.054 0.094 1.00 2.41 N ATOM 1018 CA MET A 82 12.179 -10.793 0.491 1.00 2.23 C ATOM 1019 C MET A 82 11.618 -10.903 1.906 1.00 2.23 C ATOM 1020 O MET A 82 10.825 -11.799 2.203 1.00 2.28 O ATOM 1021 CB MET A 82 11.073 -10.411 -0.493 1.00 2.05 C ATOM 1022 CG MET A 82 10.958 -8.915 -0.721 1.00 2.27 C ATOM 1023 SD MET A 82 9.835 -8.503 -2.071 1.00 2.05 S ATOM 1024 CE MET A 82 10.385 -6.846 -2.473 1.00 2.01 C ATOM 0 H MET A 82 12.268 -12.585 -0.597 1.00 2.41 H new ATOM 0 HA MET A 82 12.939 -10.012 0.478 1.00 2.23 H new ATOM 0 HB2 MET A 82 11.260 -10.903 -1.447 1.00 2.05 H new ATOM 0 HB3 MET A 82 10.120 -10.789 -0.122 1.00 2.05 H new ATOM 0 HG2 MET A 82 10.610 -8.437 0.195 1.00 2.27 H new ATOM 0 HG3 MET A 82 11.945 -8.507 -0.938 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.613 -6.336 -3.048 1.00 2.01 H new ATOM 0 HE2 MET A 82 10.577 -6.293 -1.553 1.00 2.01 H new ATOM 0 HE3 MET A 82 11.301 -6.899 -3.062 1.00 2.01 H new ATOM 1034 N GLU A 83 12.028 -9.994 2.776 1.00 2.20 N ATOM 1035 CA GLU A 83 11.591 -10.019 4.161 1.00 2.22 C ATOM 1036 C GLU A 83 10.726 -8.813 4.522 1.00 2.07 C ATOM 1037 O GLU A 83 10.326 -8.034 3.655 1.00 1.91 O ATOM 1038 CB GLU A 83 12.810 -10.080 5.077 1.00 2.42 C ATOM 1039 CG GLU A 83 13.496 -11.433 5.076 1.00 2.73 C ATOM 1040 CD GLU A 83 14.203 -11.719 6.378 1.00 2.98 C ATOM 1041 OE1 GLU A 83 13.537 -12.173 7.330 1.00 3.44 O ATOM 1042 OE2 GLU A 83 15.428 -11.489 6.461 1.00 2.89 O ATOM 0 H GLU A 83 12.663 -9.230 2.547 1.00 2.20 H new ATOM 0 HA GLU A 83 10.973 -10.907 4.296 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.526 -9.318 4.769 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.504 -9.837 6.094 1.00 2.42 H new ATOM 0 HG2 GLU A 83 12.757 -12.212 4.888 1.00 2.73 H new ATOM 0 HG3 GLU A 83 14.216 -11.472 4.258 1.00 2.73 H new ATOM 1049 N GLU A 84 10.438 -8.681 5.814 1.00 2.15 N ATOM 1050 CA GLU A 84 9.623 -7.585 6.327 1.00 2.07 C ATOM 1051 C GLU A 84 10.413 -6.282 6.297 1.00 2.08 C ATOM 1052 O GLU A 84 11.597 -6.263 6.647 1.00 2.22 O ATOM 1053 CB GLU A 84 9.176 -7.898 7.759 1.00 2.20 C ATOM 1054 CG GLU A 84 8.196 -6.889 8.337 1.00 2.18 C ATOM 1055 CD GLU A 84 6.789 -7.072 7.816 1.00 2.10 C ATOM 1056 OE1 GLU A 84 6.161 -8.105 8.136 1.00 2.34 O ATOM 1057 OE2 GLU A 84 6.297 -6.177 7.102 1.00 2.01 O ATOM 0 H GLU A 84 10.762 -9.329 6.532 1.00 2.15 H new ATOM 0 HA GLU A 84 8.742 -7.472 5.695 1.00 2.07 H new ATOM 0 HB2 GLU A 84 8.717 -8.886 7.777 1.00 2.20 H new ATOM 0 HB3 GLU A 84 10.056 -7.943 8.401 1.00 2.20 H new ATOM 0 HG2 GLU A 84 8.190 -6.977 9.423 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.538 -5.881 8.100 1.00 2.18 H new ATOM 1064 N GLU A 85 9.748 -5.208 5.874 1.00 1.98 N ATOM 1065 CA GLU A 85 10.361 -3.888 5.778 1.00 2.01 C ATOM 1066 C GLU A 85 11.616 -3.936 4.929 1.00 2.02 C ATOM 1067 O GLU A 85 12.612 -3.273 5.222 1.00 2.18 O ATOM 1068 CB GLU A 85 10.664 -3.323 7.165 1.00 2.22 C ATOM 1069 CG GLU A 85 9.480 -2.601 7.787 1.00 2.32 C ATOM 1070 CD GLU A 85 9.861 -1.807 9.015 1.00 2.36 C ATOM 1071 OE1 GLU A 85 10.820 -1.010 8.942 1.00 2.55 O ATOM 1072 OE2 GLU A 85 9.191 -1.960 10.057 1.00 2.47 O ATOM 0 H GLU A 85 8.769 -5.230 5.589 1.00 1.98 H new ATOM 0 HA GLU A 85 9.649 -3.221 5.292 1.00 2.01 H new ATOM 0 HB2 GLU A 85 10.972 -4.136 7.822 1.00 2.22 H new ATOM 0 HB3 GLU A 85 11.506 -2.634 7.094 1.00 2.22 H new ATOM 0 HG2 GLU A 85 9.039 -1.931 7.049 1.00 2.32 H new ATOM 0 HG3 GLU A 85 8.714 -3.330 8.054 1.00 2.32 H new ATOM 1079 N ASP A 86 11.558 -4.724 3.865 1.00 1.90 N ATOM 1080 CA ASP A 86 12.689 -4.866 2.968 1.00 1.96 C ATOM 1081 C ASP A 86 12.875 -3.601 2.145 1.00 1.88 C ATOM 1082 O ASP A 86 11.945 -2.804 1.994 1.00 1.79 O ATOM 1083 CB ASP A 86 12.510 -6.072 2.053 1.00 1.93 C ATOM 1084 CG ASP A 86 13.791 -6.864 1.923 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.842 -6.257 1.634 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.756 -8.092 2.127 1.00 2.28 O ATOM 0 H ASP A 86 10.739 -5.273 3.604 1.00 1.90 H new ATOM 0 HA ASP A 86 13.583 -5.026 3.571 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.722 -6.714 2.446 1.00 1.93 H new ATOM 0 HB3 ASP A 86 12.186 -5.737 1.067 1.00 1.93 H new ATOM 1091 N VAL A 87 14.067 -3.429 1.603 1.00 1.97 N ATOM 1092 CA VAL A 87 14.384 -2.246 0.824 1.00 1.94 C ATOM 1093 C VAL A 87 14.285 -2.500 -0.675 1.00 1.94 C ATOM 1094 O VAL A 87 15.045 -3.287 -1.245 1.00 2.10 O ATOM 1095 CB VAL A 87 15.796 -1.726 1.163 1.00 2.13 C ATOM 1096 CG1 VAL A 87 16.169 -0.539 0.289 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.884 -1.353 2.634 1.00 2.19 C ATOM 0 H VAL A 87 14.834 -4.096 1.688 1.00 1.97 H new ATOM 0 HA VAL A 87 13.644 -1.491 1.090 1.00 1.94 H new ATOM 0 HB VAL A 87 16.508 -2.527 0.962 1.00 2.13 H new ATOM 0 HG11 VAL A 87 17.169 -0.194 0.551 1.00 2.18 H new ATOM 0 HG12 VAL A 87 16.151 -0.839 -0.759 1.00 2.18 H new ATOM 0 HG13 VAL A 87 15.454 0.268 0.447 1.00 2.18 H new ATOM 0 HG21 VAL A 87 16.886 -0.988 2.857 1.00 2.19 H new ATOM 0 HG22 VAL A 87 15.156 -0.573 2.856 1.00 2.19 H new ATOM 0 HG23 VAL A 87 15.673 -2.231 3.245 1.00 2.19 H new ATOM 1107 N ILE A 88 13.329 -1.841 -1.300 1.00 1.78 N ATOM 1108 CA ILE A 88 13.143 -1.939 -2.737 1.00 1.80 C ATOM 1109 C ILE A 88 13.291 -0.543 -3.335 1.00 1.86 C ATOM 1110 O ILE A 88 12.736 0.428 -2.814 1.00 1.79 O ATOM 1111 CB ILE A 88 11.779 -2.570 -3.117 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.644 -2.681 -4.641 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.623 -1.776 -2.533 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.472 -3.531 -5.092 1.00 1.52 C ATOM 0 H ILE A 88 12.663 -1.227 -0.832 1.00 1.78 H new ATOM 0 HA ILE A 88 13.902 -2.606 -3.146 1.00 1.80 H new ATOM 0 HB ILE A 88 11.743 -3.573 -2.691 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.538 -1.681 -5.061 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.564 -3.102 -5.048 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.680 -2.244 -2.817 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.706 -1.758 -1.446 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.652 -0.756 -2.916 1.00 1.44 H new ATOM 0 HD11 ILE A 88 10.443 -3.562 -6.181 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.586 -4.543 -4.703 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.544 -3.100 -4.716 1.00 1.52 H new ATOM 1126 N GLU A 89 14.070 -0.432 -4.391 1.00 2.04 N ATOM 1127 CA GLU A 89 14.307 0.860 -5.010 1.00 2.14 C ATOM 1128 C GLU A 89 13.666 0.938 -6.389 1.00 2.11 C ATOM 1129 O GLU A 89 13.621 -0.048 -7.121 1.00 2.11 O ATOM 1130 CB GLU A 89 15.810 1.115 -5.098 1.00 2.41 C ATOM 1131 CG GLU A 89 16.493 1.178 -3.738 1.00 2.43 C ATOM 1132 CD GLU A 89 17.793 0.402 -3.691 1.00 2.68 C ATOM 1133 OE1 GLU A 89 18.541 0.422 -4.696 1.00 2.90 O ATOM 1134 OE2 GLU A 89 18.078 -0.235 -2.656 1.00 2.87 O ATOM 0 H GLU A 89 14.548 -1.214 -4.838 1.00 2.04 H new ATOM 0 HA GLU A 89 13.847 1.632 -4.393 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.271 0.326 -5.692 1.00 2.41 H new ATOM 0 HB3 GLU A 89 15.982 2.053 -5.626 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.689 2.220 -3.484 1.00 2.43 H new ATOM 0 HG3 GLU A 89 15.815 0.787 -2.979 1.00 2.43 H new ATOM 1141 N VAL A 90 13.160 2.113 -6.730 1.00 2.12 N ATOM 1142 CA VAL A 90 12.525 2.320 -8.020 1.00 2.12 C ATOM 1143 C VAL A 90 13.183 3.484 -8.757 1.00 2.32 C ATOM 1144 O VAL A 90 13.376 4.565 -8.191 1.00 2.36 O ATOM 1145 CB VAL A 90 11.001 2.564 -7.875 1.00 1.93 C ATOM 1146 CG1 VAL A 90 10.716 3.780 -7.004 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.342 2.713 -9.241 1.00 1.94 C ATOM 0 H VAL A 90 13.177 2.938 -6.130 1.00 2.12 H new ATOM 0 HA VAL A 90 12.660 1.410 -8.604 1.00 2.12 H new ATOM 0 HB VAL A 90 10.572 1.692 -7.382 1.00 1.93 H new ATOM 0 HG11 VAL A 90 9.639 3.924 -6.922 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.138 3.623 -6.011 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.167 4.664 -7.455 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.273 2.883 -9.113 1.00 1.94 H new ATOM 0 HG22 VAL A 90 10.784 3.559 -9.768 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.497 1.803 -9.821 1.00 1.94 H new ATOM 1157 N TYR A 91 13.556 3.250 -10.007 1.00 2.46 N ATOM 1158 CA TYR A 91 14.200 4.273 -10.820 1.00 2.66 C ATOM 1159 C TYR A 91 13.518 4.369 -12.178 1.00 2.72 C ATOM 1160 O TYR A 91 12.830 3.436 -12.599 1.00 2.67 O ATOM 1161 CB TYR A 91 15.692 3.956 -10.988 1.00 2.86 C ATOM 1162 CG TYR A 91 16.423 3.817 -9.671 1.00 2.85 C ATOM 1163 CD1 TYR A 91 16.870 4.937 -8.979 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.646 2.567 -9.110 1.00 2.82 C ATOM 1165 CE1 TYR A 91 17.524 4.812 -7.768 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.294 2.435 -7.899 1.00 2.84 C ATOM 1167 CZ TYR A 91 17.732 3.559 -7.233 1.00 2.89 C ATOM 1168 OH TYR A 91 18.375 3.432 -6.022 1.00 2.94 O ATOM 0 H TYR A 91 13.423 2.357 -10.482 1.00 2.46 H new ATOM 0 HA TYR A 91 14.106 5.235 -10.316 1.00 2.66 H new ATOM 0 HB2 TYR A 91 15.799 3.031 -11.555 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.161 4.746 -11.575 1.00 2.86 H new ATOM 0 HD1 TYR A 91 16.704 5.920 -9.394 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.307 1.683 -9.630 1.00 2.82 H new ATOM 0 HE1 TYR A 91 17.870 5.691 -7.244 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.457 1.455 -7.475 1.00 2.84 H new ATOM 0 HH TYR A 91 18.355 2.494 -5.738 1.00 2.94 H new ATOM 1178 N GLN A 92 13.699 5.491 -12.853 1.00 2.84 N ATOM 1179 CA GLN A 92 13.090 5.694 -14.157 1.00 2.93 C ATOM 1180 C GLN A 92 13.890 4.992 -15.250 1.00 3.14 C ATOM 1181 O GLN A 92 15.122 4.999 -15.235 1.00 3.31 O ATOM 1182 CB GLN A 92 12.973 7.186 -14.466 1.00 3.07 C ATOM 1183 CG GLN A 92 12.158 7.488 -15.712 1.00 3.13 C ATOM 1184 CD GLN A 92 11.644 8.914 -15.748 1.00 3.36 C ATOM 1185 OE1 GLN A 92 10.558 9.175 -16.269 1.00 3.44 O ATOM 1186 NE2 GLN A 92 12.415 9.845 -15.210 1.00 3.63 N ATOM 0 H GLN A 92 14.262 6.274 -12.521 1.00 2.84 H new ATOM 0 HA GLN A 92 12.091 5.260 -14.132 1.00 2.93 H new ATOM 0 HB2 GLN A 92 12.518 7.690 -13.614 1.00 3.07 H new ATOM 0 HB3 GLN A 92 13.973 7.603 -14.586 1.00 3.07 H new ATOM 0 HG2 GLN A 92 12.771 7.306 -16.594 1.00 3.13 H new ATOM 0 HG3 GLN A 92 11.313 6.801 -15.763 1.00 3.13 H new ATOM 0 HE21 GLN A 92 13.307 9.587 -14.788 1.00 3.63 H new ATOM 0 HE22 GLN A 92 12.117 10.820 -15.217 1.00 3.63 H new ATOM 1195 N GLU A 93 13.179 4.384 -16.188 1.00 3.15 N ATOM 1196 CA GLU A 93 13.803 3.677 -17.295 1.00 3.36 C ATOM 1197 C GLU A 93 14.308 4.655 -18.347 1.00 3.61 C ATOM 1198 O GLU A 93 13.737 5.731 -18.538 1.00 3.61 O ATOM 1199 CB GLU A 93 12.806 2.699 -17.920 1.00 3.31 C ATOM 1200 CG GLU A 93 12.596 1.437 -17.097 1.00 3.20 C ATOM 1201 CD GLU A 93 13.704 0.421 -17.294 1.00 3.30 C ATOM 1202 OE1 GLU A 93 14.890 0.795 -17.192 1.00 3.36 O ATOM 1203 OE2 GLU A 93 13.393 -0.757 -17.563 1.00 3.35 O ATOM 0 H GLU A 93 12.159 4.367 -16.203 1.00 3.15 H new ATOM 0 HA GLU A 93 14.657 3.119 -16.910 1.00 3.36 H new ATOM 0 HB2 GLU A 93 11.848 3.202 -18.049 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.157 2.421 -18.914 1.00 3.31 H new ATOM 0 HG2 GLU A 93 12.535 1.702 -16.042 1.00 3.20 H new ATOM 0 HG3 GLU A 93 11.642 0.985 -17.368 1.00 3.20 H new ATOM 1210 N GLN A 94 15.372 4.266 -19.035 1.00 3.83 N ATOM 1211 CA GLN A 94 15.970 5.097 -20.069 1.00 4.09 C ATOM 1212 C GLN A 94 15.088 5.114 -21.309 1.00 4.17 C ATOM 1213 O GLN A 94 15.023 6.117 -22.026 1.00 4.33 O ATOM 1214 CB GLN A 94 17.360 4.576 -20.426 1.00 4.34 C ATOM 1215 CG GLN A 94 18.159 5.530 -21.295 1.00 4.61 C ATOM 1216 CD GLN A 94 19.382 4.874 -21.899 1.00 4.80 C ATOM 1217 OE1 GLN A 94 19.328 4.331 -23.001 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.490 4.913 -21.179 1.00 4.92 N ATOM 0 H GLN A 94 15.842 3.372 -18.893 1.00 3.83 H new ATOM 0 HA GLN A 94 16.060 6.114 -19.687 1.00 4.09 H new ATOM 0 HB2 GLN A 94 17.914 4.383 -19.507 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.260 3.622 -20.944 1.00 4.34 H new ATOM 0 HG2 GLN A 94 17.522 5.910 -22.094 1.00 4.61 H new ATOM 0 HG3 GLN A 94 18.468 6.388 -20.698 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.491 5.374 -20.269 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.344 4.482 -21.533 1.00 4.92 H new ATOM 1227 N THR A 95 14.410 3.999 -21.554 1.00 4.08 N ATOM 1228 CA THR A 95 13.525 3.877 -22.697 1.00 4.17 C ATOM 1229 C THR A 95 12.350 4.839 -22.556 1.00 4.00 C ATOM 1230 O THR A 95 12.126 5.698 -23.409 1.00 4.17 O ATOM 1231 CB THR A 95 12.997 2.438 -22.831 1.00 4.11 C ATOM 1232 OG1 THR A 95 12.690 1.917 -21.531 1.00 3.88 O ATOM 1233 CG2 THR A 95 14.023 1.544 -23.511 1.00 4.41 C ATOM 0 H THR A 95 14.460 3.164 -20.970 1.00 4.08 H new ATOM 0 HA THR A 95 14.094 4.126 -23.593 1.00 4.17 H new ATOM 0 HB THR A 95 12.096 2.456 -23.444 1.00 4.11 H new ATOM 0 HG1 THR A 95 12.352 1.001 -21.617 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.626 0.532 -23.594 1.00 4.41 H new ATOM 0 HG22 THR A 95 14.240 1.931 -24.506 1.00 4.41 H new ATOM 0 HG23 THR A 95 14.939 1.527 -22.921 1.00 4.41 H new ATOM 1241 N GLY A 96 11.621 4.701 -21.457 1.00 3.73 N ATOM 1242 CA GLY A 96 10.485 5.563 -21.203 1.00 3.60 C ATOM 1243 C GLY A 96 9.175 4.816 -21.236 1.00 3.42 C ATOM 1244 O GLY A 96 8.173 5.281 -20.691 1.00 3.37 O ATOM 0 H GLY A 96 11.798 4.004 -20.734 1.00 3.73 H new ATOM 0 HA2 GLY A 96 10.604 6.038 -20.229 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.464 6.360 -21.946 1.00 3.60 H new ATOM 1248 N GLY A 97 9.175 3.660 -21.871 1.00 3.39 N ATOM 1249 CA GLY A 97 7.967 2.869 -21.960 1.00 3.25 C ATOM 1250 C GLY A 97 7.668 2.460 -23.382 1.00 3.46 C ATOM 1251 O GLY A 97 6.533 2.695 -23.849 1.00 3.54 O ATOM 1252 OXT GLY A 97 8.570 1.905 -24.045 1.00 3.68 O ATOM 0 H GLY A 97 9.990 3.252 -22.328 1.00 3.39 H new ATOM 0 HA2 GLY A 97 8.069 1.979 -21.340 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.128 3.440 -21.562 1.00 3.25 H new TER 1256 GLY A 97 ATOM 1257 N LYS B 1 5.665 9.594 9.244 1.00 3.70 N ATOM 1258 CA LYS B 1 5.703 8.278 8.575 1.00 3.56 C ATOM 1259 C LYS B 1 4.941 8.329 7.260 1.00 2.96 C ATOM 1260 O LYS B 1 3.862 8.917 7.180 1.00 3.20 O ATOM 1261 CB LYS B 1 5.102 7.202 9.485 1.00 4.36 C ATOM 1262 CG LYS B 1 5.218 5.793 8.925 1.00 5.08 C ATOM 1263 CD LYS B 1 4.522 4.776 9.815 1.00 5.92 C ATOM 1264 CE LYS B 1 5.292 4.540 11.106 1.00 6.64 C ATOM 1265 NZ LYS B 1 6.591 3.862 10.864 1.00 7.46 N ATOM 0 H1 LYS B 1 5.758 9.464 10.272 1.00 3.70 H new ATOM 0 H2 LYS B 1 6.449 10.183 8.897 1.00 3.70 H new ATOM 0 H3 LYS B 1 4.761 10.064 9.035 1.00 3.70 H new ATOM 0 HA LYS B 1 6.743 8.026 8.369 1.00 3.56 H new ATOM 0 HB2 LYS B 1 5.598 7.240 10.455 1.00 4.36 H new ATOM 0 HB3 LYS B 1 4.050 7.430 9.656 1.00 4.36 H new ATOM 0 HG2 LYS B 1 4.782 5.761 7.926 1.00 5.08 H new ATOM 0 HG3 LYS B 1 6.270 5.527 8.823 1.00 5.08 H new ATOM 0 HD2 LYS B 1 3.516 5.125 10.049 1.00 5.92 H new ATOM 0 HD3 LYS B 1 4.415 3.834 9.277 1.00 5.92 H new ATOM 0 HE2 LYS B 1 5.468 5.494 11.602 1.00 6.64 H new ATOM 0 HE3 LYS B 1 4.688 3.935 11.783 1.00 6.64 H new ATOM 0 HZ1 LYS B 1 6.963 3.494 11.763 1.00 7.46 H new ATOM 0 HZ2 LYS B 1 6.453 3.075 10.198 1.00 7.46 H new ATOM 0 HZ3 LYS B 1 7.267 4.541 10.461 1.00 7.46 H new ATOM 1281 N VAL B 2 5.504 7.714 6.234 1.00 2.52 N ATOM 1282 CA VAL B 2 4.882 7.689 4.921 1.00 2.19 C ATOM 1283 C VAL B 2 3.738 6.682 4.887 1.00 2.16 C ATOM 1284 O VAL B 2 3.752 5.681 5.607 1.00 2.32 O ATOM 1285 CB VAL B 2 5.918 7.367 3.824 1.00 2.29 C ATOM 1286 CG1 VAL B 2 5.286 7.422 2.444 1.00 2.65 C ATOM 1287 CG2 VAL B 2 7.093 8.331 3.906 1.00 2.60 C ATOM 0 H VAL B 2 6.396 7.222 6.286 1.00 2.52 H new ATOM 0 HA VAL B 2 4.476 8.681 4.723 1.00 2.19 H new ATOM 0 HB VAL B 2 6.282 6.353 3.990 1.00 2.29 H new ATOM 0 HG11 VAL B 2 6.038 7.191 1.690 1.00 2.65 H new ATOM 0 HG12 VAL B 2 4.477 6.693 2.385 1.00 2.65 H new ATOM 0 HG13 VAL B 2 4.888 8.421 2.266 1.00 2.65 H new ATOM 0 HG21 VAL B 2 7.815 8.091 3.126 1.00 2.60 H new ATOM 0 HG22 VAL B 2 6.736 9.352 3.769 1.00 2.60 H new ATOM 0 HG23 VAL B 2 7.570 8.241 4.882 1.00 2.60 H new ATOM 1297 N ASP B 3 2.738 6.973 4.069 1.00 2.10 N ATOM 1298 CA ASP B 3 1.568 6.119 3.933 1.00 2.09 C ATOM 1299 C ASP B 3 1.923 4.788 3.281 1.00 1.88 C ATOM 1300 O ASP B 3 2.847 4.702 2.467 1.00 1.83 O ATOM 1301 CB ASP B 3 0.479 6.834 3.125 1.00 2.18 C ATOM 1302 CG ASP B 3 0.638 6.674 1.626 1.00 2.18 C ATOM 1303 OD1 ASP B 3 1.490 7.367 1.038 1.00 2.50 O ATOM 1304 OD2 ASP B 3 -0.106 5.872 1.023 1.00 2.25 O ATOM 0 H ASP B 3 2.715 7.807 3.482 1.00 2.10 H new ATOM 0 HA ASP B 3 1.189 5.910 4.933 1.00 2.09 H new ATOM 0 HB2 ASP B 3 -0.496 6.448 3.423 1.00 2.18 H new ATOM 0 HB3 ASP B 3 0.491 7.895 3.373 1.00 2.18 H new ATOM 1309 N VAL B 4 1.199 3.750 3.672 1.00 1.82 N ATOM 1310 CA VAL B 4 1.414 2.419 3.151 1.00 1.66 C ATOM 1311 C VAL B 4 0.395 2.125 2.062 1.00 1.67 C ATOM 1312 O VAL B 4 -0.808 2.164 2.313 1.00 1.80 O ATOM 1313 CB VAL B 4 1.280 1.349 4.258 1.00 1.71 C ATOM 1314 CG1 VAL B 4 2.020 0.088 3.877 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.788 1.865 5.589 1.00 2.04 C ATOM 0 H VAL B 4 0.448 3.812 4.359 1.00 1.82 H new ATOM 0 HA VAL B 4 2.426 2.380 2.748 1.00 1.66 H new ATOM 0 HB VAL B 4 0.220 1.118 4.363 1.00 1.71 H new ATOM 0 HG11 VAL B 4 1.912 -0.651 4.671 1.00 2.13 H new ATOM 0 HG12 VAL B 4 1.606 -0.311 2.951 1.00 2.13 H new ATOM 0 HG13 VAL B 4 3.076 0.315 3.734 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.680 1.088 6.346 1.00 2.04 H new ATOM 0 HG22 VAL B 4 2.839 2.137 5.496 1.00 2.04 H new ATOM 0 HG23 VAL B 4 1.211 2.742 5.884 1.00 2.04 H new ATOM 1325 N ILE B 5 0.868 1.849 0.860 1.00 1.55 N ATOM 1326 CA ILE B 5 -0.026 1.547 -0.246 1.00 1.57 C ATOM 1327 C ILE B 5 -0.648 0.170 -0.043 1.00 1.50 C ATOM 1328 O ILE B 5 0.036 -0.850 -0.134 1.00 1.31 O ATOM 1329 CB ILE B 5 0.700 1.589 -1.611 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.673 2.772 -1.679 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.315 1.678 -2.743 1.00 1.58 C ATOM 1332 CD1 ILE B 5 2.549 2.774 -2.920 1.00 1.61 C ATOM 0 H ILE B 5 1.860 1.827 0.624 1.00 1.55 H new ATOM 0 HA ILE B 5 -0.801 2.313 -0.259 1.00 1.57 H new ATOM 0 HB ILE B 5 1.274 0.669 -1.720 1.00 1.47 H new ATOM 0 HG12 ILE B 5 1.104 3.701 -1.646 1.00 1.55 H new ATOM 0 HG13 ILE B 5 2.311 2.757 -0.795 1.00 1.55 H new ATOM 0 HG21 ILE B 5 0.208 1.707 -3.699 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -0.970 0.807 -2.714 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -0.910 2.584 -2.627 1.00 1.58 H new ATOM 0 HD11 ILE B 5 3.210 3.640 -2.897 1.00 1.61 H new ATOM 0 HD12 ILE B 5 3.146 1.862 -2.945 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.920 2.821 -3.809 1.00 1.61 H new ATOM 1344 N ASP B 6 -1.937 0.151 0.272 1.00 1.74 N ATOM 1345 CA ASP B 6 -2.657 -1.100 0.494 1.00 1.77 C ATOM 1346 C ASP B 6 -2.911 -1.801 -0.815 1.00 1.63 C ATOM 1347 O ASP B 6 -3.750 -1.360 -1.598 1.00 1.75 O ATOM 1348 CB ASP B 6 -4.020 -0.861 1.133 1.00 2.16 C ATOM 1349 CG ASP B 6 -3.955 -0.277 2.528 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -3.669 -1.031 3.484 1.00 2.53 O ATOM 1351 OD2 ASP B 6 -4.158 0.944 2.676 1.00 2.43 O ATOM 0 H ASP B 6 -2.508 0.989 0.380 1.00 1.74 H new ATOM 0 HA ASP B 6 -2.032 -1.701 1.154 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.595 -0.189 0.496 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -4.562 -1.806 1.171 1.00 2.16 H new ATOM 1356 N LEU B 7 -2.210 -2.883 -1.070 1.00 1.42 N ATOM 1357 CA LEU B 7 -2.440 -3.605 -2.300 1.00 1.32 C ATOM 1358 C LEU B 7 -3.305 -4.823 -2.032 1.00 1.37 C ATOM 1359 O LEU B 7 -3.917 -5.378 -2.945 1.00 1.42 O ATOM 1360 CB LEU B 7 -1.126 -4.020 -2.966 1.00 1.13 C ATOM 1361 CG LEU B 7 -0.230 -2.873 -3.443 1.00 1.41 C ATOM 1362 CD1 LEU B 7 0.769 -3.378 -4.473 1.00 1.77 C ATOM 1363 CD2 LEU B 7 -1.061 -1.730 -4.018 1.00 1.70 C ATOM 0 H LEU B 7 -1.493 -3.275 -0.459 1.00 1.42 H new ATOM 0 HA LEU B 7 -2.960 -2.939 -2.988 1.00 1.32 H new ATOM 0 HB2 LEU B 7 -0.560 -4.629 -2.262 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -1.358 -4.654 -3.821 1.00 1.13 H new ATOM 0 HG LEU B 7 0.318 -2.489 -2.583 1.00 1.41 H new ATOM 0 HD11 LEU B 7 1.399 -2.553 -4.804 1.00 1.77 H new ATOM 0 HD12 LEU B 7 1.391 -4.154 -4.027 1.00 1.77 H new ATOM 0 HD13 LEU B 7 0.233 -3.790 -5.328 1.00 1.77 H new ATOM 0 HD21 LEU B 7 -0.399 -0.930 -4.349 1.00 1.70 H new ATOM 0 HD22 LEU B 7 -1.643 -2.093 -4.865 1.00 1.70 H new ATOM 0 HD23 LEU B 7 -1.736 -1.349 -3.251 1.00 1.70 H new ATOM 1375 N THR B 8 -3.340 -5.238 -0.778 1.00 1.52 N ATOM 1376 CA THR B 8 -4.135 -6.380 -0.373 1.00 1.66 C ATOM 1377 C THR B 8 -5.124 -5.978 0.718 1.00 1.76 C ATOM 1378 O THR B 8 -4.738 -5.421 1.748 1.00 2.31 O ATOM 1379 CB THR B 8 -3.245 -7.530 0.135 1.00 2.06 C ATOM 1380 OG1 THR B 8 -2.032 -7.584 -0.632 1.00 3.00 O ATOM 1381 CG2 THR B 8 -3.971 -8.862 0.027 1.00 2.55 C ATOM 0 H THR B 8 -2.822 -4.796 -0.019 1.00 1.52 H new ATOM 0 HA THR B 8 -4.683 -6.729 -1.249 1.00 1.66 H new ATOM 0 HB THR B 8 -3.009 -7.343 1.183 1.00 2.06 H new ATOM 0 HG1 THR B 8 -1.796 -8.519 -0.805 1.00 3.00 H new ATOM 0 HG21 THR B 8 -3.324 -9.660 0.391 1.00 2.55 H new ATOM 0 HG22 THR B 8 -4.881 -8.830 0.627 1.00 2.55 H new ATOM 0 HG23 THR B 8 -4.230 -9.052 -1.015 1.00 2.55 H new ATOM 1389 N ILE B 9 -6.401 -6.234 0.467 1.00 1.81 N ATOM 1390 CA ILE B 9 -7.458 -5.909 1.411 1.00 2.17 C ATOM 1391 C ILE B 9 -7.461 -6.890 2.586 1.00 2.44 C ATOM 1392 O ILE B 9 -7.103 -8.058 2.433 1.00 3.08 O ATOM 1393 CB ILE B 9 -8.838 -5.919 0.709 1.00 2.73 C ATOM 1394 CG1 ILE B 9 -9.950 -5.504 1.674 1.00 3.02 C ATOM 1395 CG2 ILE B 9 -9.134 -7.288 0.113 1.00 3.38 C ATOM 1396 CD1 ILE B 9 -9.905 -4.040 2.055 1.00 3.74 C ATOM 0 H ILE B 9 -6.731 -6.671 -0.394 1.00 1.81 H new ATOM 0 HA ILE B 9 -7.267 -4.907 1.796 1.00 2.17 H new ATOM 0 HB ILE B 9 -8.803 -5.191 -0.102 1.00 2.73 H new ATOM 0 HG12 ILE B 9 -10.916 -5.723 1.218 1.00 3.02 H new ATOM 0 HG13 ILE B 9 -9.880 -6.109 2.578 1.00 3.02 H new ATOM 0 HG21 ILE B 9 -10.109 -7.270 -0.375 1.00 3.38 H new ATOM 0 HG22 ILE B 9 -8.367 -7.540 -0.619 1.00 3.38 H new ATOM 0 HG23 ILE B 9 -9.139 -8.036 0.905 1.00 3.38 H new ATOM 0 HD11 ILE B 9 -10.722 -3.817 2.741 1.00 3.74 H new ATOM 0 HD12 ILE B 9 -8.954 -3.819 2.540 1.00 3.74 H new ATOM 0 HD13 ILE B 9 -10.006 -3.428 1.159 1.00 3.74 H new ATOM 1408 N GLU B 10 -7.837 -6.403 3.763 1.00 2.62 N ATOM 1409 CA GLU B 10 -7.893 -7.238 4.958 1.00 3.41 C ATOM 1410 C GLU B 10 -9.183 -8.043 4.992 1.00 3.70 C ATOM 1411 O GLU B 10 -9.166 -9.261 5.176 1.00 4.27 O ATOM 1412 CB GLU B 10 -7.792 -6.382 6.216 1.00 4.14 C ATOM 1413 CG GLU B 10 -6.444 -5.711 6.393 1.00 4.97 C ATOM 1414 CD GLU B 10 -6.320 -5.018 7.728 1.00 5.74 C ATOM 1415 OE1 GLU B 10 -6.037 -5.702 8.733 1.00 6.12 O ATOM 1416 OE2 GLU B 10 -6.502 -3.784 7.778 1.00 6.22 O ATOM 0 H GLU B 10 -8.108 -5.432 3.916 1.00 2.62 H new ATOM 0 HA GLU B 10 -7.048 -7.925 4.926 1.00 3.41 H new ATOM 0 HB2 GLU B 10 -8.567 -5.616 6.186 1.00 4.14 H new ATOM 0 HB3 GLU B 10 -7.994 -7.007 7.086 1.00 4.14 H new ATOM 0 HG2 GLU B 10 -5.654 -6.456 6.298 1.00 4.97 H new ATOM 0 HG3 GLU B 10 -6.294 -4.985 5.594 1.00 4.97 H new ATOM 1423 N SER B 11 -10.297 -7.352 4.829 1.00 3.75 N ATOM 1424 CA SER B 11 -11.604 -7.982 4.839 1.00 4.38 C ATOM 1425 C SER B 11 -11.867 -8.712 3.521 1.00 4.06 C ATOM 1426 O SER B 11 -11.186 -8.472 2.524 1.00 3.95 O ATOM 1427 CB SER B 11 -12.664 -6.913 5.090 1.00 5.27 C ATOM 1428 OG SER B 11 -12.084 -5.617 5.042 1.00 5.71 O ATOM 0 H SER B 11 -10.321 -6.342 4.687 1.00 3.75 H new ATOM 0 HA SER B 11 -11.643 -8.725 5.635 1.00 4.38 H new ATOM 0 HB2 SER B 11 -13.453 -6.993 4.343 1.00 5.27 H new ATOM 0 HB3 SER B 11 -13.129 -7.074 6.063 1.00 5.27 H new ATOM 0 HG SER B 11 -12.348 -5.171 4.210 1.00 5.71 H new ATOM 1434 N SER B 12 -12.833 -9.617 3.525 1.00 4.44 N ATOM 1435 CA SER B 12 -13.165 -10.373 2.329 1.00 4.71 C ATOM 1436 C SER B 12 -14.265 -9.686 1.524 1.00 4.51 C ATOM 1437 O SER B 12 -14.115 -9.451 0.331 1.00 4.87 O ATOM 1438 CB SER B 12 -13.601 -11.783 2.711 1.00 5.75 C ATOM 1439 OG SER B 12 -13.120 -12.133 3.997 1.00 6.23 O ATOM 0 H SER B 12 -13.400 -9.845 4.342 1.00 4.44 H new ATOM 0 HA SER B 12 -12.274 -10.425 1.704 1.00 4.71 H new ATOM 0 HB2 SER B 12 -14.689 -11.848 2.696 1.00 5.75 H new ATOM 0 HB3 SER B 12 -13.229 -12.495 1.974 1.00 5.75 H new ATOM 0 HG SER B 12 -13.414 -13.041 4.220 1.00 6.23 H new ATOM 1445 N SER B 13 -15.369 -9.365 2.185 1.00 4.36 N ATOM 1446 CA SER B 13 -16.491 -8.712 1.527 1.00 4.58 C ATOM 1447 C SER B 13 -16.340 -7.193 1.553 1.00 4.15 C ATOM 1448 O SER B 13 -16.831 -6.497 0.667 1.00 4.69 O ATOM 1449 CB SER B 13 -17.792 -9.119 2.214 1.00 5.38 C ATOM 1450 OG SER B 13 -17.820 -10.518 2.437 1.00 5.90 O ATOM 0 H SER B 13 -15.511 -9.547 3.179 1.00 4.36 H new ATOM 0 HA SER B 13 -16.511 -9.029 0.484 1.00 4.58 H new ATOM 0 HB2 SER B 13 -17.889 -8.592 3.163 1.00 5.38 H new ATOM 0 HB3 SER B 13 -18.642 -8.826 1.598 1.00 5.38 H new ATOM 0 HG SER B 13 -18.660 -10.762 2.880 1.00 5.90 H new ATOM 1456 N ASP B 14 -15.660 -6.684 2.568 1.00 3.66 N ATOM 1457 CA ASP B 14 -15.453 -5.250 2.698 1.00 3.77 C ATOM 1458 C ASP B 14 -14.144 -4.844 2.031 1.00 3.52 C ATOM 1459 O ASP B 14 -13.099 -4.775 2.678 1.00 3.73 O ATOM 1460 CB ASP B 14 -15.456 -4.846 4.174 1.00 4.22 C ATOM 1461 CG ASP B 14 -15.782 -3.385 4.375 1.00 5.09 C ATOM 1462 OD1 ASP B 14 -14.862 -2.548 4.305 1.00 5.48 O ATOM 1463 OD2 ASP B 14 -16.969 -3.061 4.605 1.00 5.62 O ATOM 0 H ASP B 14 -15.242 -7.241 3.313 1.00 3.66 H new ATOM 0 HA ASP B 14 -16.270 -4.729 2.198 1.00 3.77 H new ATOM 0 HB2 ASP B 14 -16.183 -5.454 4.712 1.00 4.22 H new ATOM 0 HB3 ASP B 14 -14.479 -5.060 4.607 1.00 4.22 H new TER 1468 ASP B 14