USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 993 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 65 THR OG1 : rot 180:sc= 0.173 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0.0168 USER MOD Set 2.1: A 50 MET CE :methyl 176:sc= -1.35 (180deg=-1.27) USER MOD Set 2.2: A 62 HIS : no HE2:sc= -3.43! C(o=-4.8!,f=-7.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 41:sc= 0.0277 USER MOD Single : A 13 GLN : amide:sc= -2.36! C(o=-2.4!,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0324) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.367 K(o=-0.37,f=-4.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -5.26! C(o=-5.3!,f=-4.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.68! C(o=-2.7!,f=-4.8!) USER MOD Single : A 43 ASN : amide:sc= 0.912 K(o=0.91,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -139:sc= 0 (180deg=-1.29) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 40:sc= 0.575 USER MOD Single : A 61 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -123:sc= -1.39 (180deg=-2.83) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -108:sc= 1.29 USER MOD Single : A 81 MET CE :methyl 172:sc= -1.08 (180deg=-1.39) USER MOD Single : A 85 SER OG : rot 23:sc= 0.401 USER MOD Single : A 88 SER OG : rot -87:sc= 1.24 USER MOD Single : A 93 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.0915) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.28) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -170:sc= -1.7! USER MOD Single : A 111 LYS NZ :NH3+ 149:sc= -0.721! (180deg=-2.53!) USER MOD Single : A 112 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.3!) USER MOD Single : A 113 LYS NZ :NH3+ 163:sc= 1.27 (180deg=0.939) USER MOD Single : A 117 CYS SG : rot 59:sc= 0.286 USER MOD Single : A 118 GLN : amide:sc= -1.85 K(o=-1.8,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -11.485 -5.243 -10.446 1.00 0.00 N ATOM 44 CA GLU A 5 -10.467 -4.331 -10.798 1.00 0.00 C ATOM 45 C GLU A 5 -10.798 -2.946 -10.340 1.00 0.00 C ATOM 46 O GLU A 5 -10.960 -2.736 -9.135 1.00 0.00 O ATOM 47 CB GLU A 5 -10.027 -4.458 -12.271 1.00 0.00 C ATOM 48 CG GLU A 5 -11.157 -4.335 -13.237 1.00 0.00 C ATOM 49 CD GLU A 5 -12.026 -5.557 -13.362 1.00 0.00 C ATOM 50 OE1 GLU A 5 -11.684 -6.464 -14.138 1.00 0.00 O ATOM 51 OE2 GLU A 5 -13.075 -5.611 -12.678 1.00 0.00 O ATOM 0 HA GLU A 5 -9.565 -4.602 -10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.286 -3.689 -12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.538 -5.421 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.781 -3.493 -12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.750 -4.095 -14.219 1.00 0.00 H new ATOM 58 N ASP A 6 -10.846 -2.019 -11.257 1.00 0.00 N ATOM 59 CA ASP A 6 -11.205 -0.591 -10.991 1.00 0.00 C ATOM 60 C ASP A 6 -10.047 0.139 -10.359 1.00 0.00 C ATOM 61 O ASP A 6 -10.074 1.337 -10.118 1.00 0.00 O ATOM 62 CB ASP A 6 -12.494 -0.516 -10.147 1.00 0.00 C ATOM 63 CG ASP A 6 -12.852 0.861 -9.586 1.00 0.00 C ATOM 64 OD1 ASP A 6 -13.546 1.645 -10.280 1.00 0.00 O ATOM 65 OD2 ASP A 6 -12.470 1.167 -8.422 1.00 0.00 O ATOM 0 H ASP A 6 -10.639 -2.205 -12.238 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.411 -0.086 -11.935 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.326 -0.864 -10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.399 -1.212 -9.313 1.00 0.00 H new ATOM 70 N GLU A 7 -9.005 -0.555 -10.223 1.00 0.00 N ATOM 71 CA GLU A 7 -7.868 -0.081 -9.622 1.00 0.00 C ATOM 72 C GLU A 7 -6.854 0.059 -10.670 1.00 0.00 C ATOM 73 O GLU A 7 -6.717 -0.787 -11.570 1.00 0.00 O ATOM 74 CB GLU A 7 -7.511 -1.036 -8.475 1.00 0.00 C ATOM 75 CG GLU A 7 -7.290 -2.488 -8.955 1.00 0.00 C ATOM 76 CD GLU A 7 -7.310 -3.512 -7.853 1.00 0.00 C ATOM 77 OE1 GLU A 7 -8.401 -4.007 -7.508 1.00 0.00 O ATOM 78 OE2 GLU A 7 -6.258 -3.852 -7.311 1.00 0.00 O ATOM 0 H GLU A 7 -8.928 -1.519 -10.548 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.975 0.902 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.608 -0.680 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.309 -1.020 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.061 -2.739 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.332 -2.546 -9.472 1.00 0.00 H new ATOM 85 N LYS A 8 -6.163 1.114 -10.570 1.00 0.00 N ATOM 86 CA LYS A 8 -5.229 1.447 -11.561 1.00 0.00 C ATOM 87 C LYS A 8 -3.868 1.721 -10.987 1.00 0.00 C ATOM 88 O LYS A 8 -3.747 2.023 -9.797 1.00 0.00 O ATOM 89 CB LYS A 8 -5.688 2.621 -12.424 1.00 0.00 C ATOM 90 CG LYS A 8 -5.958 3.908 -11.645 1.00 0.00 C ATOM 91 CD LYS A 8 -6.245 5.079 -12.574 1.00 0.00 C ATOM 92 CE LYS A 8 -7.484 4.852 -13.423 1.00 0.00 C ATOM 93 NZ LYS A 8 -7.707 5.951 -14.381 1.00 0.00 N ATOM 0 H LYS A 8 -6.226 1.777 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.154 0.571 -12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.928 2.820 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.596 2.334 -12.954 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.806 3.758 -10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.097 4.142 -11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.374 5.986 -11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.386 5.242 -13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.384 3.912 -13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.355 4.754 -12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.562 5.756 -14.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.828 6.844 -13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.888 6.029 -15.017 1.00 0.00 H new ATOM 107 N VAL A 9 -2.863 1.655 -11.842 1.00 0.00 N ATOM 108 CA VAL A 9 -1.512 1.880 -11.466 1.00 0.00 C ATOM 109 C VAL A 9 -1.316 3.344 -11.172 1.00 0.00 C ATOM 110 O VAL A 9 -1.544 4.212 -12.015 1.00 0.00 O ATOM 111 CB VAL A 9 -0.511 1.436 -12.583 1.00 0.00 C ATOM 112 CG1 VAL A 9 0.936 1.661 -12.151 1.00 0.00 C ATOM 113 CG2 VAL A 9 -0.719 -0.022 -12.960 1.00 0.00 C ATOM 0 H VAL A 9 -2.984 1.438 -12.831 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.307 1.280 -10.579 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.711 2.053 -13.459 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.607 1.343 -12.948 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.094 2.720 -11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.141 1.081 -11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.009 -0.301 -13.738 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.562 -0.650 -12.083 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.735 -0.161 -13.329 1.00 0.00 H new ATOM 123 N LEU A 10 -0.957 3.591 -9.975 1.00 0.00 N ATOM 124 CA LEU A 10 -0.611 4.923 -9.524 1.00 0.00 C ATOM 125 C LEU A 10 0.823 5.193 -9.896 1.00 0.00 C ATOM 126 O LEU A 10 1.147 6.218 -10.485 1.00 0.00 O ATOM 127 CB LEU A 10 -0.866 5.051 -7.994 1.00 0.00 C ATOM 128 CG LEU A 10 -0.599 6.415 -7.277 1.00 0.00 C ATOM 129 CD1 LEU A 10 0.875 6.645 -6.993 1.00 0.00 C ATOM 130 CD2 LEU A 10 -1.166 7.580 -8.082 1.00 0.00 C ATOM 0 H LEU A 10 -0.887 2.877 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.237 5.673 -10.008 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.908 4.787 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.255 4.297 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.113 6.363 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.004 7.606 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.250 5.849 -6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.431 6.645 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.965 8.515 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.696 7.606 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.242 7.453 -8.198 1.00 0.00 H new ATOM 142 N TYR A 11 1.657 4.254 -9.572 1.00 0.00 N ATOM 143 CA TYR A 11 3.063 4.331 -9.846 1.00 0.00 C ATOM 144 C TYR A 11 3.639 2.940 -9.754 1.00 0.00 C ATOM 145 O TYR A 11 3.086 2.082 -9.043 1.00 0.00 O ATOM 146 CB TYR A 11 3.752 5.296 -8.857 1.00 0.00 C ATOM 147 CG TYR A 11 5.227 5.555 -9.103 1.00 0.00 C ATOM 148 CD1 TYR A 11 5.683 5.962 -10.351 1.00 0.00 C ATOM 149 CD2 TYR A 11 6.159 5.405 -8.085 1.00 0.00 C ATOM 150 CE1 TYR A 11 7.018 6.212 -10.576 1.00 0.00 C ATOM 151 CE2 TYR A 11 7.498 5.662 -8.303 1.00 0.00 C ATOM 152 CZ TYR A 11 7.921 6.063 -9.550 1.00 0.00 C ATOM 153 OH TYR A 11 9.259 6.327 -9.772 1.00 0.00 O ATOM 0 H TYR A 11 1.376 3.394 -9.100 1.00 0.00 H new ATOM 0 HA TYR A 11 3.234 4.725 -10.848 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.226 6.250 -8.884 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.636 4.897 -7.849 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.977 6.084 -11.159 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.832 5.082 -7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.354 6.524 -11.554 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.210 5.549 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 11 9.764 6.175 -8.946 1.00 0.00 H new ATOM 163 N SER A 12 4.660 2.694 -10.518 1.00 0.00 N ATOM 164 CA SER A 12 5.349 1.480 -10.516 1.00 0.00 C ATOM 165 C SER A 12 6.832 1.747 -10.220 1.00 0.00 C ATOM 166 O SER A 12 7.423 2.659 -10.818 1.00 0.00 O ATOM 167 CB SER A 12 5.154 0.852 -11.875 1.00 0.00 C ATOM 168 OG SER A 12 5.428 1.776 -12.920 1.00 0.00 O ATOM 0 H SER A 12 5.035 3.374 -11.179 1.00 0.00 H new ATOM 0 HA SER A 12 4.978 0.801 -9.749 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.808 -0.015 -11.974 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.130 0.491 -11.967 1.00 0.00 H new ATOM 0 HG SER A 12 6.217 2.309 -12.687 1.00 0.00 H new ATOM 174 N GLN A 13 7.419 1.029 -9.265 1.00 0.00 N ATOM 175 CA GLN A 13 8.843 1.240 -8.962 1.00 0.00 C ATOM 176 C GLN A 13 9.541 -0.014 -8.480 1.00 0.00 C ATOM 177 O GLN A 13 8.923 -0.870 -7.904 1.00 0.00 O ATOM 178 CB GLN A 13 9.048 2.478 -8.058 1.00 0.00 C ATOM 179 CG GLN A 13 10.487 2.876 -7.790 1.00 0.00 C ATOM 180 CD GLN A 13 10.635 4.122 -6.931 1.00 0.00 C ATOM 181 OE1 GLN A 13 11.594 4.867 -7.082 1.00 0.00 O ATOM 182 NE2 GLN A 13 9.718 4.355 -6.023 1.00 0.00 N ATOM 0 H GLN A 13 6.954 0.317 -8.701 1.00 0.00 H new ATOM 0 HA GLN A 13 9.347 1.471 -9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.537 3.325 -8.515 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.560 2.289 -7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.997 2.047 -7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.991 3.042 -8.742 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.929 3.717 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.794 5.175 -5.420 1.00 0.00 H new ATOM 191 N ARG A 14 10.849 -0.077 -8.683 1.00 0.00 N ATOM 192 CA ARG A 14 11.598 -1.255 -8.382 1.00 0.00 C ATOM 193 C ARG A 14 11.831 -1.366 -6.902 1.00 0.00 C ATOM 194 O ARG A 14 12.421 -0.490 -6.263 1.00 0.00 O ATOM 195 CB ARG A 14 12.920 -1.317 -9.160 1.00 0.00 C ATOM 196 CG ARG A 14 12.744 -1.327 -10.675 1.00 0.00 C ATOM 197 CD ARG A 14 14.071 -1.516 -11.390 1.00 0.00 C ATOM 198 NE ARG A 14 13.929 -1.452 -12.854 1.00 0.00 N ATOM 199 CZ ARG A 14 14.157 -2.463 -13.716 1.00 0.00 C ATOM 200 NH1 ARG A 14 14.489 -3.673 -13.270 1.00 0.00 N ATOM 201 NH2 ARG A 14 14.055 -2.250 -15.019 1.00 0.00 N ATOM 0 H ARG A 14 11.405 0.691 -9.060 1.00 0.00 H new ATOM 0 HA ARG A 14 11.006 -2.111 -8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.535 -0.462 -8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.465 -2.213 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.060 -2.128 -10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.287 -0.390 -10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.771 -0.748 -11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.499 -2.479 -11.110 1.00 0.00 H new ATOM 0 HE ARG A 14 13.631 -0.562 -13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.573 -3.842 -12.268 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.659 -4.431 -13.931 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.805 -1.324 -15.366 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.227 -3.012 -15.675 1.00 0.00 H new ATOM 215 N VAL A 15 11.359 -2.449 -6.383 1.00 0.00 N ATOM 216 CA VAL A 15 11.352 -2.711 -4.986 1.00 0.00 C ATOM 217 C VAL A 15 11.862 -4.135 -4.754 1.00 0.00 C ATOM 218 O VAL A 15 12.016 -4.917 -5.709 1.00 0.00 O ATOM 219 CB VAL A 15 9.885 -2.598 -4.449 1.00 0.00 C ATOM 220 CG1 VAL A 15 9.029 -3.794 -4.867 1.00 0.00 C ATOM 221 CG2 VAL A 15 9.829 -2.373 -2.955 1.00 0.00 C ATOM 0 H VAL A 15 10.954 -3.201 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 15 11.988 -1.994 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 15 9.458 -1.711 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.020 -3.674 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.990 -3.851 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.467 -4.711 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.789 -2.302 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.309 -3.207 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.348 -1.447 -2.707 1.00 0.00 H new ATOM 231 N LYS A 16 12.127 -4.449 -3.531 1.00 0.00 N ATOM 232 CA LYS A 16 12.486 -5.769 -3.125 1.00 0.00 C ATOM 233 C LYS A 16 11.391 -6.223 -2.166 1.00 0.00 C ATOM 234 O LYS A 16 11.062 -5.453 -1.248 1.00 0.00 O ATOM 235 CB LYS A 16 13.827 -5.717 -2.384 1.00 0.00 C ATOM 236 CG LYS A 16 14.965 -5.035 -3.148 1.00 0.00 C ATOM 237 CD LYS A 16 16.241 -5.051 -2.328 1.00 0.00 C ATOM 238 CE LYS A 16 17.400 -4.353 -3.031 1.00 0.00 C ATOM 239 NZ LYS A 16 17.802 -5.030 -4.282 1.00 0.00 N ATOM 0 H LYS A 16 12.100 -3.777 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 16 12.583 -6.447 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.682 -5.196 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.131 -6.736 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.130 -5.544 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.689 -4.007 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.058 -4.566 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.519 -6.083 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.117 -3.324 -3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.255 -4.309 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.646 -4.564 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.018 -6.028 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.025 -4.975 -4.971 1.00 0.00 H new ATOM 253 N LEU A 17 10.820 -7.433 -2.343 1.00 0.00 N ATOM 254 CA LEU A 17 9.764 -7.874 -1.478 1.00 0.00 C ATOM 255 C LEU A 17 10.331 -8.869 -0.549 1.00 0.00 C ATOM 256 O LEU A 17 11.181 -9.645 -0.929 1.00 0.00 O ATOM 257 CB LEU A 17 8.612 -8.504 -2.276 1.00 0.00 C ATOM 258 CG LEU A 17 7.534 -9.258 -1.466 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.781 -8.338 -0.519 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.581 -9.983 -2.390 1.00 0.00 C ATOM 0 H LEU A 17 11.084 -8.096 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 17 9.357 -7.020 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.120 -7.714 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.040 -9.197 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 17 8.048 -9.996 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.034 -8.912 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.481 -7.889 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.287 -7.552 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.830 -10.507 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.090 -9.263 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.135 -10.702 -2.993 1.00 0.00 H new ATOM 272 N PHE A 18 9.902 -8.826 0.647 1.00 0.00 N ATOM 273 CA PHE A 18 10.357 -9.697 1.674 1.00 0.00 C ATOM 274 C PHE A 18 9.187 -10.267 2.404 1.00 0.00 C ATOM 275 O PHE A 18 8.148 -9.637 2.489 1.00 0.00 O ATOM 276 CB PHE A 18 11.182 -8.918 2.699 1.00 0.00 C ATOM 277 CG PHE A 18 12.429 -8.247 2.200 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.351 -7.054 1.524 1.00 0.00 C ATOM 279 CD2 PHE A 18 13.676 -8.801 2.426 1.00 0.00 C ATOM 280 CE1 PHE A 18 13.472 -6.425 1.073 1.00 0.00 C ATOM 281 CE2 PHE A 18 14.818 -8.173 1.972 1.00 0.00 C ATOM 282 CZ PHE A 18 14.717 -6.979 1.293 1.00 0.00 C ATOM 0 H PHE A 18 9.196 -8.160 0.961 1.00 0.00 H new ATOM 0 HA PHE A 18 10.955 -10.482 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.541 -8.156 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.462 -9.603 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.384 -6.607 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.757 -9.734 2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.386 -5.489 0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.787 -8.616 2.148 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.605 -6.480 0.935 1.00 0.00 H new ATOM 292 N ARG A 19 9.359 -11.439 2.929 1.00 0.00 N ATOM 293 CA ARG A 19 8.468 -12.000 3.793 1.00 0.00 C ATOM 294 C ARG A 19 9.076 -12.147 5.102 1.00 0.00 C ATOM 295 O ARG A 19 10.279 -12.379 5.252 1.00 0.00 O ATOM 296 CB ARG A 19 7.984 -13.323 3.358 1.00 0.00 C ATOM 297 CG ARG A 19 9.014 -14.328 2.880 1.00 0.00 C ATOM 298 CD ARG A 19 8.337 -15.650 2.567 1.00 0.00 C ATOM 299 NE ARG A 19 9.191 -16.548 1.792 1.00 0.00 N ATOM 300 CZ ARG A 19 8.734 -17.568 1.057 1.00 0.00 C ATOM 301 NH1 ARG A 19 7.468 -17.964 1.176 1.00 0.00 N ATOM 302 NH2 ARG A 19 9.557 -18.218 0.244 1.00 0.00 N ATOM 0 H ARG A 19 10.170 -12.026 2.735 1.00 0.00 H new ATOM 0 HA ARG A 19 7.612 -11.326 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.439 -13.771 4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.266 -13.169 2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.520 -13.949 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.777 -14.472 3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.053 -16.139 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.417 -15.461 2.013 1.00 0.00 H new ATOM 0 HE ARG A 19 10.198 -16.387 1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.844 -17.489 1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.122 -18.742 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.536 -17.940 0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.210 -18.996 -0.317 1.00 0.00 H new ATOM 316 N PHE A 20 8.261 -11.999 6.007 1.00 0.00 N ATOM 317 CA PHE A 20 8.579 -12.065 7.355 1.00 0.00 C ATOM 318 C PHE A 20 8.354 -13.465 7.740 1.00 0.00 C ATOM 319 O PHE A 20 7.277 -14.039 7.505 1.00 0.00 O ATOM 320 CB PHE A 20 7.658 -11.199 8.185 1.00 0.00 C ATOM 321 CG PHE A 20 8.309 -10.614 9.408 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.351 -11.322 10.598 1.00 0.00 C ATOM 323 CD2 PHE A 20 8.881 -9.354 9.360 1.00 0.00 C ATOM 324 CE1 PHE A 20 8.951 -10.783 11.716 1.00 0.00 C ATOM 325 CE2 PHE A 20 9.482 -8.810 10.475 1.00 0.00 C ATOM 326 CZ PHE A 20 9.518 -9.525 11.655 1.00 0.00 C ATOM 0 H PHE A 20 7.273 -11.813 5.834 1.00 0.00 H new ATOM 0 HA PHE A 20 9.600 -11.722 7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.280 -10.387 7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.797 -11.792 8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.909 -12.306 10.650 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.856 -8.791 8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.978 -11.344 12.639 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.924 -7.826 10.425 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.989 -9.101 12.530 1.00 0.00 H new ATOM 336 N ASP A 21 9.337 -14.030 8.231 1.00 0.00 N ATOM 337 CA ASP A 21 9.235 -15.336 8.718 1.00 0.00 C ATOM 338 C ASP A 21 8.843 -15.289 10.100 1.00 0.00 C ATOM 339 O ASP A 21 9.451 -14.667 10.880 1.00 0.00 O ATOM 340 CB ASP A 21 10.480 -16.164 8.600 1.00 0.00 C ATOM 341 CG ASP A 21 10.082 -17.495 8.035 1.00 0.00 C ATOM 342 OD1 ASP A 21 9.524 -18.304 8.773 1.00 0.00 O ATOM 343 OD2 ASP A 21 10.265 -17.719 6.828 1.00 0.00 O ATOM 0 H ASP A 21 10.262 -13.609 8.318 1.00 0.00 H new ATOM 0 HA ASP A 21 8.492 -15.825 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.207 -15.674 7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.953 -16.287 9.574 1.00 0.00 H new ATOM 348 N ALA A 22 7.790 -15.838 10.332 1.00 0.00 N ATOM 349 CA ALA A 22 7.246 -16.017 11.646 1.00 0.00 C ATOM 350 C ALA A 22 8.090 -17.027 12.386 1.00 0.00 C ATOM 351 O ALA A 22 8.378 -16.881 13.571 1.00 0.00 O ATOM 352 CB ALA A 22 5.813 -16.479 11.558 1.00 0.00 C ATOM 0 H ALA A 22 7.197 -16.223 9.597 1.00 0.00 H new ATOM 0 HA ALA A 22 7.259 -15.070 12.186 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.411 -16.611 12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.222 -15.733 11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.769 -17.427 11.022 1.00 0.00 H new ATOM 358 N GLU A 23 8.545 -18.021 11.638 1.00 0.00 N ATOM 359 CA GLU A 23 9.320 -19.091 12.180 1.00 0.00 C ATOM 360 C GLU A 23 10.743 -18.629 12.410 1.00 0.00 C ATOM 361 O GLU A 23 11.424 -19.079 13.329 1.00 0.00 O ATOM 362 CB GLU A 23 9.345 -20.249 11.214 1.00 0.00 C ATOM 363 CG GLU A 23 7.989 -20.648 10.683 1.00 0.00 C ATOM 364 CD GLU A 23 6.958 -20.937 11.733 1.00 0.00 C ATOM 365 OE1 GLU A 23 6.978 -22.047 12.311 1.00 0.00 O ATOM 366 OE2 GLU A 23 6.080 -20.091 11.965 1.00 0.00 O ATOM 0 H GLU A 23 8.378 -18.095 10.634 1.00 0.00 H new ATOM 0 HA GLU A 23 8.870 -19.402 13.123 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.989 -19.991 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.795 -21.109 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.618 -19.850 10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.106 -21.533 10.057 1.00 0.00 H new ATOM 373 N VAL A 24 11.203 -17.707 11.564 1.00 0.00 N ATOM 374 CA VAL A 24 12.589 -17.245 11.678 1.00 0.00 C ATOM 375 C VAL A 24 12.647 -15.908 12.323 1.00 0.00 C ATOM 376 O VAL A 24 13.716 -15.413 12.697 1.00 0.00 O ATOM 377 CB VAL A 24 13.330 -17.152 10.326 1.00 0.00 C ATOM 378 CG1 VAL A 24 14.845 -17.127 10.494 1.00 0.00 C ATOM 379 CG2 VAL A 24 12.913 -18.245 9.449 1.00 0.00 C ATOM 0 H VAL A 24 10.659 -17.277 10.816 1.00 0.00 H new ATOM 0 HA VAL A 24 13.089 -18.000 12.285 1.00 0.00 H new ATOM 0 HB VAL A 24 13.056 -16.204 9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 24 15.319 -17.061 9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.130 -16.263 11.094 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.171 -18.039 10.994 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.441 -18.170 8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.147 -19.199 9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.839 -18.181 9.273 1.00 0.00 H new ATOM 389 N SER A 25 11.480 -15.347 12.486 1.00 0.00 N ATOM 390 CA SER A 25 11.310 -13.972 12.861 1.00 0.00 C ATOM 391 C SER A 25 12.058 -13.113 11.924 1.00 0.00 C ATOM 392 O SER A 25 12.522 -12.019 12.304 1.00 0.00 O ATOM 393 CB SER A 25 11.759 -13.788 14.254 1.00 0.00 C ATOM 394 OG SER A 25 10.788 -14.224 15.189 1.00 0.00 O ATOM 0 H SER A 25 10.600 -15.847 12.358 1.00 0.00 H new ATOM 0 HA SER A 25 10.259 -13.689 12.807 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.686 -14.339 14.411 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.981 -12.735 14.427 1.00 0.00 H new ATOM 0 HG SER A 25 11.125 -14.086 16.099 1.00 0.00 H new ATOM 400 N GLN A 26 12.129 -13.522 10.657 1.00 0.00 N ATOM 401 CA GLN A 26 13.038 -12.756 9.874 1.00 0.00 C ATOM 402 C GLN A 26 12.466 -12.274 8.543 1.00 0.00 C ATOM 403 O GLN A 26 11.711 -12.977 7.910 1.00 0.00 O ATOM 404 CB GLN A 26 14.356 -13.535 9.671 1.00 0.00 C ATOM 405 CG GLN A 26 15.410 -12.869 8.785 1.00 0.00 C ATOM 406 CD GLN A 26 16.026 -11.618 9.380 1.00 0.00 C ATOM 407 OE1 GLN A 26 15.403 -10.901 10.155 1.00 0.00 O ATOM 408 NE2 GLN A 26 17.242 -11.343 9.003 1.00 0.00 N ATOM 0 H GLN A 26 11.626 -14.288 10.209 1.00 0.00 H new ATOM 0 HA GLN A 26 13.238 -11.847 10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.799 -13.718 10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.115 -14.508 9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 26 16.203 -13.588 8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.955 -12.616 7.827 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.728 -11.964 8.356 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.708 -10.506 9.354 1.00 0.00 H new ATOM 417 N TRP A 27 12.882 -11.094 8.115 1.00 0.00 N ATOM 418 CA TRP A 27 12.532 -10.552 6.885 1.00 0.00 C ATOM 419 C TRP A 27 13.500 -11.078 5.802 1.00 0.00 C ATOM 420 O TRP A 27 14.708 -10.809 5.825 1.00 0.00 O ATOM 421 CB TRP A 27 12.535 -9.018 7.019 1.00 0.00 C ATOM 422 CG TRP A 27 13.770 -8.400 7.647 1.00 0.00 C ATOM 423 CD1 TRP A 27 14.893 -7.962 6.998 1.00 0.00 C ATOM 424 CD2 TRP A 27 13.988 -8.128 9.040 1.00 0.00 C ATOM 425 NE1 TRP A 27 15.797 -7.466 7.899 1.00 0.00 N ATOM 426 CE2 TRP A 27 15.267 -7.548 9.157 1.00 0.00 C ATOM 427 CE3 TRP A 27 13.230 -8.325 10.196 1.00 0.00 C ATOM 428 CZ2 TRP A 27 15.802 -7.166 10.383 1.00 0.00 C ATOM 429 CZ3 TRP A 27 13.763 -7.943 11.410 1.00 0.00 C ATOM 430 CH2 TRP A 27 15.034 -7.369 11.496 1.00 0.00 C ATOM 0 H TRP A 27 13.496 -10.491 8.663 1.00 0.00 H new ATOM 0 HA TRP A 27 11.531 -10.854 6.576 1.00 0.00 H new ATOM 0 HB2 TRP A 27 12.404 -8.588 6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 27 11.667 -8.725 7.610 1.00 0.00 H new ATOM 0 HD1 TRP A 27 15.044 -8.002 5.929 1.00 0.00 H new ATOM 0 HE1 TRP A 27 16.719 -7.095 7.669 1.00 0.00 H new ATOM 0 HE3 TRP A 27 12.246 -8.767 10.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 16.786 -6.726 10.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 13.187 -8.091 12.311 1.00 0.00 H new ATOM 0 HH2 TRP A 27 15.418 -7.079 12.463 1.00 0.00 H new ATOM 441 N LYS A 28 12.980 -11.879 4.920 1.00 0.00 N ATOM 442 CA LYS A 28 13.767 -12.512 3.862 1.00 0.00 C ATOM 443 C LYS A 28 13.079 -12.265 2.564 1.00 0.00 C ATOM 444 O LYS A 28 11.853 -12.318 2.514 1.00 0.00 O ATOM 445 CB LYS A 28 13.895 -14.010 4.172 1.00 0.00 C ATOM 446 CG LYS A 28 14.750 -14.833 3.221 1.00 0.00 C ATOM 447 CD LYS A 28 16.197 -14.383 3.196 1.00 0.00 C ATOM 448 CE LYS A 28 16.872 -14.475 4.550 1.00 0.00 C ATOM 449 NZ LYS A 28 18.289 -14.074 4.467 1.00 0.00 N ATOM 0 H LYS A 28 11.990 -12.124 4.900 1.00 0.00 H new ATOM 0 HA LYS A 28 14.773 -12.098 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.305 -14.116 5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.894 -14.441 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.705 -15.882 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.335 -14.765 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.748 -14.992 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.245 -13.353 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.351 -13.836 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.801 -15.496 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.726 -14.147 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.789 -14.700 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.353 -13.092 4.131 1.00 0.00 H new ATOM 463 N GLU A 29 13.841 -11.998 1.507 1.00 0.00 N ATOM 464 CA GLU A 29 13.280 -11.586 0.320 1.00 0.00 C ATOM 465 C GLU A 29 12.478 -12.656 -0.321 1.00 0.00 C ATOM 466 O GLU A 29 12.798 -13.855 -0.262 1.00 0.00 O ATOM 467 CB GLU A 29 14.253 -10.933 -0.698 1.00 0.00 C ATOM 468 CG GLU A 29 15.380 -11.812 -1.208 1.00 0.00 C ATOM 469 CD GLU A 29 16.532 -11.897 -0.261 1.00 0.00 C ATOM 470 OE1 GLU A 29 16.445 -12.602 0.748 1.00 0.00 O ATOM 471 OE2 GLU A 29 17.565 -11.268 -0.524 1.00 0.00 O ATOM 0 H GLU A 29 14.858 -12.075 1.496 1.00 0.00 H new ATOM 0 HA GLU A 29 12.615 -10.777 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.673 -10.589 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.691 -10.049 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.995 -12.815 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.731 -11.424 -2.164 1.00 0.00 H new ATOM 478 N ARG A 30 11.453 -12.223 -0.909 1.00 0.00 N ATOM 479 CA ARG A 30 10.571 -13.084 -1.629 1.00 0.00 C ATOM 480 C ARG A 30 10.961 -13.029 -3.068 1.00 0.00 C ATOM 481 O ARG A 30 10.961 -14.018 -3.786 1.00 0.00 O ATOM 482 CB ARG A 30 9.098 -12.689 -1.522 1.00 0.00 C ATOM 483 CG ARG A 30 8.381 -13.226 -0.311 1.00 0.00 C ATOM 484 CD ARG A 30 6.875 -13.088 -0.480 1.00 0.00 C ATOM 485 NE ARG A 30 6.113 -13.822 0.541 1.00 0.00 N ATOM 486 CZ ARG A 30 5.532 -15.016 0.340 1.00 0.00 C ATOM 487 NH1 ARG A 30 5.807 -15.721 -0.744 1.00 0.00 N ATOM 488 NH2 ARG A 30 4.754 -15.524 1.260 1.00 0.00 N ATOM 0 H ARG A 30 11.177 -11.241 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 30 10.664 -14.080 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.029 -11.601 -1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.579 -13.035 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.642 -14.274 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.704 -12.687 0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.605 -12.033 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.591 -13.450 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 30 6.019 -13.396 1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.464 -15.359 -1.435 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.362 -16.627 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.590 -15.014 2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.311 -16.431 1.110 1.00 0.00 H new ATOM 502 N GLY A 31 11.296 -11.841 -3.464 1.00 0.00 N ATOM 503 CA GLY A 31 11.662 -11.553 -4.771 1.00 0.00 C ATOM 504 C GLY A 31 11.897 -10.096 -4.859 1.00 0.00 C ATOM 505 O GLY A 31 11.744 -9.396 -3.881 1.00 0.00 O ATOM 0 H GLY A 31 11.315 -11.031 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.562 -12.103 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.878 -11.857 -5.464 1.00 0.00 H new ATOM 509 N LEU A 32 12.228 -9.657 -5.992 1.00 0.00 N ATOM 510 CA LEU A 32 12.567 -8.294 -6.276 1.00 0.00 C ATOM 511 C LEU A 32 11.806 -7.945 -7.548 1.00 0.00 C ATOM 512 O LEU A 32 11.559 -8.837 -8.368 1.00 0.00 O ATOM 513 CB LEU A 32 14.102 -8.142 -6.565 1.00 0.00 C ATOM 514 CG LEU A 32 15.150 -8.838 -5.629 1.00 0.00 C ATOM 515 CD1 LEU A 32 14.924 -8.557 -4.164 1.00 0.00 C ATOM 516 CD2 LEU A 32 15.269 -10.334 -5.897 1.00 0.00 C ATOM 0 H LEU A 32 12.280 -10.258 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 32 12.318 -7.651 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.279 -8.507 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.327 -7.076 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 32 16.107 -8.384 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.684 -9.069 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.988 -7.484 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.937 -8.915 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.008 -10.767 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.303 -10.811 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.582 -10.495 -6.929 1.00 0.00 H new ATOM 528 N GLY A 33 11.415 -6.715 -7.729 1.00 0.00 N ATOM 529 CA GLY A 33 10.701 -6.384 -8.937 1.00 0.00 C ATOM 530 C GLY A 33 10.247 -4.956 -8.993 1.00 0.00 C ATOM 531 O GLY A 33 10.989 -4.064 -8.661 1.00 0.00 O ATOM 0 H GLY A 33 11.570 -5.944 -7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.342 -6.587 -9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.832 -7.037 -9.026 1.00 0.00 H new ATOM 535 N ASN A 34 9.015 -4.779 -9.372 1.00 0.00 N ATOM 536 CA ASN A 34 8.365 -3.506 -9.577 1.00 0.00 C ATOM 537 C ASN A 34 7.111 -3.534 -8.847 1.00 0.00 C ATOM 538 O ASN A 34 6.275 -4.450 -8.997 1.00 0.00 O ATOM 539 CB ASN A 34 8.083 -3.301 -11.029 1.00 0.00 C ATOM 540 CG ASN A 34 7.320 -2.028 -11.309 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.897 -0.973 -11.506 1.00 0.00 O ATOM 542 ND2 ASN A 34 6.016 -2.133 -11.345 1.00 0.00 N ATOM 0 H ASN A 34 8.394 -5.566 -9.559 1.00 0.00 H new ATOM 0 HA ASN A 34 9.005 -2.695 -9.229 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.025 -3.281 -11.577 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.513 -4.150 -11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.444 -1.312 -11.544 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.572 -3.035 -11.174 1.00 0.00 H new ATOM 549 N LEU A 35 6.983 -2.580 -8.055 1.00 0.00 N ATOM 550 CA LEU A 35 5.884 -2.432 -7.259 1.00 0.00 C ATOM 551 C LEU A 35 4.904 -1.565 -7.952 1.00 0.00 C ATOM 552 O LEU A 35 5.213 -0.443 -8.315 1.00 0.00 O ATOM 553 CB LEU A 35 6.264 -1.925 -5.850 1.00 0.00 C ATOM 554 CG LEU A 35 5.184 -1.896 -4.739 1.00 0.00 C ATOM 555 CD1 LEU A 35 5.843 -1.687 -3.389 1.00 0.00 C ATOM 556 CD2 LEU A 35 4.173 -0.787 -4.957 1.00 0.00 C ATOM 0 H LEU A 35 7.681 -1.845 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 35 5.415 -3.402 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.088 -2.542 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.649 -0.911 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 35 4.662 -2.852 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.080 -1.667 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.539 -2.503 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.384 -0.741 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.435 -0.804 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.684 0.176 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.672 -0.934 -5.914 1.00 0.00 H new ATOM 568 N LYS A 36 3.764 -2.095 -8.168 1.00 0.00 N ATOM 569 CA LYS A 36 2.716 -1.361 -8.718 1.00 0.00 C ATOM 570 C LYS A 36 1.728 -1.072 -7.626 1.00 0.00 C ATOM 571 O LYS A 36 1.481 -1.910 -6.760 1.00 0.00 O ATOM 572 CB LYS A 36 1.978 -2.100 -9.839 1.00 0.00 C ATOM 573 CG LYS A 36 2.811 -2.524 -11.022 1.00 0.00 C ATOM 574 CD LYS A 36 1.922 -3.120 -12.101 1.00 0.00 C ATOM 575 CE LYS A 36 2.727 -3.618 -13.279 1.00 0.00 C ATOM 576 NZ LYS A 36 1.858 -4.068 -14.385 1.00 0.00 N ATOM 0 H LYS A 36 3.537 -3.068 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 36 3.145 -0.457 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.511 -2.988 -9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.174 -1.459 -10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.354 -1.667 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.556 -3.256 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.344 -3.943 -11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.208 -2.369 -12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.384 -2.823 -13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.366 -4.441 -12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.446 -4.402 -15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.249 -4.843 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.266 -3.275 -14.706 1.00 0.00 H new ATOM 590 N ILE A 37 1.161 0.054 -7.672 1.00 0.00 N ATOM 591 CA ILE A 37 0.123 0.390 -6.774 1.00 0.00 C ATOM 592 C ILE A 37 -1.105 0.435 -7.558 1.00 0.00 C ATOM 593 O ILE A 37 -1.162 1.137 -8.570 1.00 0.00 O ATOM 594 CB ILE A 37 0.353 1.796 -6.172 1.00 0.00 C ATOM 595 CG1 ILE A 37 1.481 1.748 -5.160 1.00 0.00 C ATOM 596 CG2 ILE A 37 -0.945 2.387 -5.552 1.00 0.00 C ATOM 597 CD1 ILE A 37 1.093 1.136 -3.823 1.00 0.00 C ATOM 0 H ILE A 37 1.399 0.788 -8.339 1.00 0.00 H new ATOM 0 HA ILE A 37 0.081 -0.337 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 37 0.639 2.467 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.308 1.177 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.846 2.761 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.735 3.375 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.711 2.469 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.299 1.732 -4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.956 1.140 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.287 1.719 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.757 0.110 -3.976 1.00 0.00 H new ATOM 609 N LEU A 38 -2.070 -0.307 -7.147 1.00 0.00 N ATOM 610 CA LEU A 38 -3.318 -0.202 -7.799 1.00 0.00 C ATOM 611 C LEU A 38 -4.239 0.461 -6.841 1.00 0.00 C ATOM 612 O LEU A 38 -4.307 0.107 -5.667 1.00 0.00 O ATOM 613 CB LEU A 38 -3.874 -1.578 -8.215 1.00 0.00 C ATOM 614 CG LEU A 38 -2.991 -2.419 -9.150 1.00 0.00 C ATOM 615 CD1 LEU A 38 -3.627 -3.765 -9.414 1.00 0.00 C ATOM 616 CD2 LEU A 38 -2.747 -1.701 -10.461 1.00 0.00 C ATOM 0 H LEU A 38 -2.020 -0.978 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.211 0.371 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.063 -2.157 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.837 -1.424 -8.702 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.032 -2.570 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.987 -4.346 -10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.753 -4.299 -8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.601 -3.622 -9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.119 -2.319 -11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.700 -1.514 -10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.246 -0.752 -10.269 1.00 0.00 H new ATOM 628 N LYS A 39 -4.906 1.425 -7.315 1.00 0.00 N ATOM 629 CA LYS A 39 -5.825 2.157 -6.523 1.00 0.00 C ATOM 630 C LYS A 39 -7.150 2.235 -7.200 1.00 0.00 C ATOM 631 O LYS A 39 -7.233 2.568 -8.386 1.00 0.00 O ATOM 632 CB LYS A 39 -5.268 3.552 -6.205 1.00 0.00 C ATOM 633 CG LYS A 39 -4.881 4.384 -7.417 1.00 0.00 C ATOM 634 CD LYS A 39 -4.163 5.659 -7.013 1.00 0.00 C ATOM 635 CE LYS A 39 -5.007 6.574 -6.151 1.00 0.00 C ATOM 636 NZ LYS A 39 -4.260 7.789 -5.776 1.00 0.00 N ATOM 0 H LYS A 39 -4.837 1.744 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.968 1.635 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.013 4.101 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.392 3.439 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.239 3.796 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.775 4.634 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.253 5.399 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.858 6.196 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.913 6.852 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.321 6.044 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.862 8.398 -5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.408 7.522 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.982 8.305 -6.635 1.00 0.00 H new ATOM 650 N ASN A 40 -8.164 1.888 -6.465 1.00 0.00 N ATOM 651 CA ASN A 40 -9.552 1.942 -6.957 1.00 0.00 C ATOM 652 C ASN A 40 -9.978 3.346 -7.288 1.00 0.00 C ATOM 653 O ASN A 40 -9.619 4.293 -6.593 1.00 0.00 O ATOM 654 CB ASN A 40 -10.528 1.439 -5.880 1.00 0.00 C ATOM 655 CG ASN A 40 -10.472 -0.027 -5.636 1.00 0.00 C ATOM 656 OD1 ASN A 40 -10.631 -0.480 -4.507 1.00 0.00 O ATOM 657 ND2 ASN A 40 -10.344 -0.769 -6.682 1.00 0.00 N ATOM 0 H ASN A 40 -8.076 1.556 -5.504 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.578 1.317 -7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.318 1.959 -4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.543 1.708 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.373 -1.785 -6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.214 -0.340 -7.598 1.00 0.00 H new ATOM 664 N GLU A 41 -10.776 3.464 -8.337 1.00 0.00 N ATOM 665 CA GLU A 41 -11.356 4.636 -8.750 1.00 0.00 C ATOM 666 C GLU A 41 -12.612 4.874 -7.933 1.00 0.00 C ATOM 667 O GLU A 41 -13.127 5.987 -7.857 1.00 0.00 O ATOM 668 CB GLU A 41 -11.671 4.478 -10.185 1.00 0.00 C ATOM 669 CG GLU A 41 -10.459 4.399 -11.076 1.00 0.00 C ATOM 670 CD GLU A 41 -10.801 4.557 -12.518 1.00 0.00 C ATOM 671 OE1 GLU A 41 -10.881 5.693 -12.998 1.00 0.00 O ATOM 672 OE2 GLU A 41 -10.985 3.550 -13.206 1.00 0.00 O ATOM 0 H GLU A 41 -11.022 2.669 -8.927 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.698 5.493 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.266 3.574 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.290 5.317 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.748 5.173 -10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.963 3.440 -10.926 1.00 0.00 H new ATOM 679 N VAL A 42 -13.088 3.805 -7.301 1.00 0.00 N ATOM 680 CA VAL A 42 -14.134 3.843 -6.355 1.00 0.00 C ATOM 681 C VAL A 42 -13.525 4.383 -5.065 1.00 0.00 C ATOM 682 O VAL A 42 -14.214 4.906 -4.175 1.00 0.00 O ATOM 683 CB VAL A 42 -14.622 2.384 -6.176 1.00 0.00 C ATOM 684 CG1 VAL A 42 -15.240 2.147 -4.845 1.00 0.00 C ATOM 685 CG2 VAL A 42 -15.581 1.993 -7.279 1.00 0.00 C ATOM 0 H VAL A 42 -12.723 2.866 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.975 4.470 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.736 1.752 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.564 1.109 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.510 2.354 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.100 2.805 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.908 0.964 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.447 2.655 -7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.080 2.078 -8.243 1.00 0.00 H new ATOM 695 N ASN A 43 -12.192 4.277 -5.036 1.00 0.00 N ATOM 696 CA ASN A 43 -11.343 4.667 -3.945 1.00 0.00 C ATOM 697 C ASN A 43 -11.728 3.843 -2.746 1.00 0.00 C ATOM 698 O ASN A 43 -11.775 4.310 -1.598 1.00 0.00 O ATOM 699 CB ASN A 43 -11.446 6.171 -3.722 1.00 0.00 C ATOM 700 CG ASN A 43 -10.546 6.706 -2.604 1.00 0.00 C ATOM 701 OD1 ASN A 43 -9.484 6.145 -2.318 1.00 0.00 O ATOM 702 ND2 ASN A 43 -10.944 7.782 -1.988 1.00 0.00 N ATOM 0 H ASN A 43 -11.666 3.895 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.291 4.474 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.194 6.682 -4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.481 6.422 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.373 8.185 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.827 8.222 -2.248 1.00 0.00 H new ATOM 709 N GLY A 44 -12.006 2.579 -3.042 1.00 0.00 N ATOM 710 CA GLY A 44 -12.355 1.640 -2.022 1.00 0.00 C ATOM 711 C GLY A 44 -11.175 1.422 -1.143 1.00 0.00 C ATOM 712 O GLY A 44 -11.149 1.864 -0.003 1.00 0.00 O ATOM 0 H GLY A 44 -11.992 2.195 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.196 2.013 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.671 0.698 -2.469 1.00 0.00 H new ATOM 716 N LYS A 45 -10.185 0.780 -1.678 1.00 0.00 N ATOM 717 CA LYS A 45 -8.972 0.583 -0.988 1.00 0.00 C ATOM 718 C LYS A 45 -7.862 0.641 -2.012 1.00 0.00 C ATOM 719 O LYS A 45 -8.129 0.598 -3.223 1.00 0.00 O ATOM 720 CB LYS A 45 -9.050 -0.762 -0.336 1.00 0.00 C ATOM 721 CG LYS A 45 -8.176 -0.926 0.900 1.00 0.00 C ATOM 722 CD LYS A 45 -8.497 -2.220 1.635 1.00 0.00 C ATOM 723 CE LYS A 45 -9.946 -2.241 2.119 1.00 0.00 C ATOM 724 NZ LYS A 45 -10.275 -3.481 2.847 1.00 0.00 N ATOM 0 H LYS A 45 -10.207 0.378 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.785 1.337 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.086 -0.956 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.768 -1.521 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.126 -0.921 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.325 -0.078 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.320 -3.069 0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.826 -2.333 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.122 -1.383 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.614 -2.136 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.268 -3.449 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.133 -4.299 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.657 -3.570 3.679 1.00 0.00 H new ATOM 738 N LEU A 46 -6.651 0.758 -1.577 1.00 0.00 N ATOM 739 CA LEU A 46 -5.572 0.823 -2.447 1.00 0.00 C ATOM 740 C LEU A 46 -4.716 -0.391 -2.170 1.00 0.00 C ATOM 741 O LEU A 46 -4.787 -0.963 -1.087 1.00 0.00 O ATOM 742 CB LEU A 46 -4.724 2.050 -2.179 1.00 0.00 C ATOM 743 CG LEU A 46 -5.383 3.433 -1.824 1.00 0.00 C ATOM 744 CD1 LEU A 46 -6.466 3.848 -2.802 1.00 0.00 C ATOM 745 CD2 LEU A 46 -5.869 3.507 -0.373 1.00 0.00 C ATOM 0 H LEU A 46 -6.402 0.810 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.935 0.865 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.050 1.799 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.106 2.209 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.581 4.164 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.880 4.810 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.040 3.934 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.257 3.099 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.314 4.485 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.614 2.730 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.025 3.359 0.301 1.00 0.00 H new ATOM 757 N ARG A 47 -3.980 -0.810 -3.134 1.00 0.00 N ATOM 758 CA ARG A 47 -3.052 -1.962 -2.978 1.00 0.00 C ATOM 759 C ARG A 47 -1.668 -1.587 -3.421 1.00 0.00 C ATOM 760 O ARG A 47 -1.478 -0.697 -4.235 1.00 0.00 O ATOM 761 CB ARG A 47 -3.379 -3.173 -3.870 1.00 0.00 C ATOM 762 CG ARG A 47 -4.600 -3.090 -4.758 1.00 0.00 C ATOM 763 CD ARG A 47 -5.861 -3.138 -3.946 1.00 0.00 C ATOM 764 NE ARG A 47 -7.045 -3.229 -4.766 1.00 0.00 N ATOM 765 CZ ARG A 47 -8.288 -3.005 -4.345 1.00 0.00 C ATOM 766 NH1 ARG A 47 -8.504 -2.535 -3.130 1.00 0.00 N ATOM 767 NH2 ARG A 47 -9.306 -3.241 -5.144 1.00 0.00 N ATOM 0 H ARG A 47 -3.975 -0.393 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.145 -2.218 -1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.515 -3.362 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.495 -4.043 -3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.571 -2.167 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.591 -3.914 -5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.823 -3.994 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.922 -2.245 -3.323 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.920 -3.485 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.717 -2.342 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.458 -2.365 -2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.143 -3.596 -6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.258 -3.069 -4.821 1.00 0.00 H new ATOM 781 N MET A 48 -0.748 -2.307 -2.900 1.00 0.00 N ATOM 782 CA MET A 48 0.617 -2.331 -3.287 1.00 0.00 C ATOM 783 C MET A 48 0.859 -3.755 -3.705 1.00 0.00 C ATOM 784 O MET A 48 0.692 -4.670 -2.906 1.00 0.00 O ATOM 785 CB MET A 48 1.557 -2.098 -2.080 1.00 0.00 C ATOM 786 CG MET A 48 1.251 -0.918 -1.186 1.00 0.00 C ATOM 787 SD MET A 48 2.451 -0.759 0.145 1.00 0.00 S ATOM 788 CE MET A 48 1.894 0.746 0.927 1.00 0.00 C ATOM 0 H MET A 48 -0.942 -2.947 -2.130 1.00 0.00 H new ATOM 0 HA MET A 48 0.806 -1.570 -4.044 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.549 -2.999 -1.466 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.572 -1.980 -2.460 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.244 -0.004 -1.780 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.253 -1.031 -0.764 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.756 1.355 1.200 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.261 1.302 0.236 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.325 0.501 1.824 1.00 0.00 H new ATOM 798 N LEU A 49 1.213 -3.957 -4.896 1.00 0.00 N ATOM 799 CA LEU A 49 1.633 -5.261 -5.311 1.00 0.00 C ATOM 800 C LEU A 49 2.934 -5.201 -5.989 1.00 0.00 C ATOM 801 O LEU A 49 3.279 -4.208 -6.595 1.00 0.00 O ATOM 802 CB LEU A 49 0.628 -5.998 -6.156 1.00 0.00 C ATOM 803 CG LEU A 49 0.151 -5.392 -7.512 1.00 0.00 C ATOM 804 CD1 LEU A 49 1.172 -5.559 -8.639 1.00 0.00 C ATOM 805 CD2 LEU A 49 -1.176 -6.000 -7.913 1.00 0.00 C ATOM 0 H LEU A 49 1.229 -3.245 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 49 1.727 -5.840 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.045 -6.982 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.259 -6.154 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 49 0.036 -4.320 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.779 -5.116 -9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.102 -5.060 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.364 -6.620 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.501 -5.571 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.064 -7.079 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.920 -5.789 -7.145 1.00 0.00 H new ATOM 817 N MET A 50 3.664 -6.238 -5.909 1.00 0.00 N ATOM 818 CA MET A 50 4.873 -6.281 -6.462 1.00 0.00 C ATOM 819 C MET A 50 5.046 -7.565 -7.124 1.00 0.00 C ATOM 820 O MET A 50 4.839 -8.648 -6.575 1.00 0.00 O ATOM 821 CB MET A 50 5.910 -6.025 -5.455 1.00 0.00 C ATOM 822 CG MET A 50 5.751 -6.852 -4.205 1.00 0.00 C ATOM 823 SD MET A 50 6.053 -5.926 -2.689 1.00 0.00 S ATOM 824 CE MET A 50 4.570 -4.929 -2.601 1.00 0.00 C ATOM 0 H MET A 50 3.388 -7.094 -5.428 1.00 0.00 H new ATOM 0 HA MET A 50 4.970 -5.497 -7.213 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.888 -6.226 -5.893 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.892 -4.969 -5.187 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.742 -7.262 -4.176 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.438 -7.697 -4.248 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.574 -4.351 -1.677 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.537 -4.250 -3.453 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.694 -5.577 -2.619 1.00 0.00 H new ATOM 834 N ARG A 51 5.350 -7.393 -8.258 1.00 0.00 N ATOM 835 CA ARG A 51 5.623 -8.383 -9.250 1.00 0.00 C ATOM 836 C ARG A 51 7.059 -8.328 -9.529 1.00 0.00 C ATOM 837 O ARG A 51 7.697 -7.277 -9.457 1.00 0.00 O ATOM 838 CB ARG A 51 4.832 -8.055 -10.499 1.00 0.00 C ATOM 839 CG ARG A 51 4.891 -8.951 -11.736 1.00 0.00 C ATOM 840 CD ARG A 51 4.042 -8.295 -12.811 1.00 0.00 C ATOM 841 NE ARG A 51 3.778 -9.128 -13.976 1.00 0.00 N ATOM 842 CZ ARG A 51 3.632 -8.646 -15.212 1.00 0.00 C ATOM 843 NH1 ARG A 51 4.116 -7.438 -15.519 1.00 0.00 N ATOM 844 NH2 ARG A 51 3.067 -9.394 -16.150 1.00 0.00 N ATOM 0 H ARG A 51 5.446 -6.450 -8.635 1.00 0.00 H new ATOM 0 HA ARG A 51 5.341 -9.380 -8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.785 -7.990 -10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.137 -7.057 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.920 -9.068 -12.077 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.516 -9.948 -11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.090 -7.998 -12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.539 -7.382 -13.140 1.00 0.00 H new ATOM 0 HE ARG A 51 3.700 -10.136 -13.840 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.596 -6.886 -14.809 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.005 -7.069 -16.463 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.745 -10.336 -15.926 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.954 -9.028 -17.095 1.00 0.00 H new ATOM 858 N ARG A 52 7.541 -9.426 -9.831 1.00 0.00 N ATOM 859 CA ARG A 52 8.844 -9.615 -10.140 1.00 0.00 C ATOM 860 C ARG A 52 8.850 -9.486 -11.611 1.00 0.00 C ATOM 861 O ARG A 52 8.076 -10.123 -12.284 1.00 0.00 O ATOM 862 CB ARG A 52 9.252 -10.965 -9.601 1.00 0.00 C ATOM 863 CG ARG A 52 9.102 -11.089 -8.088 1.00 0.00 C ATOM 864 CD ARG A 52 9.463 -12.482 -7.602 1.00 0.00 C ATOM 865 NE ARG A 52 10.869 -12.828 -7.856 1.00 0.00 N ATOM 866 CZ ARG A 52 11.449 -13.986 -7.499 1.00 0.00 C ATOM 867 NH1 ARG A 52 10.726 -14.947 -6.944 1.00 0.00 N ATOM 868 NH2 ARG A 52 12.742 -14.176 -7.727 1.00 0.00 N ATOM 0 H ARG A 52 6.987 -10.282 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 52 9.564 -8.918 -9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.650 -11.736 -10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.290 -11.156 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.741 -10.355 -7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.075 -10.859 -7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.264 -12.551 -6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.820 -13.211 -8.094 1.00 0.00 H new ATOM 0 HE ARG A 52 11.446 -12.139 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.728 -14.808 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.168 -15.826 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.294 -13.443 -8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.184 -15.055 -7.457 1.00 0.00 H new ATOM 882 N GLU A 53 9.660 -8.609 -12.061 1.00 0.00 N ATOM 883 CA GLU A 53 9.672 -8.119 -13.443 1.00 0.00 C ATOM 884 C GLU A 53 9.972 -9.148 -14.382 1.00 0.00 C ATOM 885 O GLU A 53 9.111 -9.556 -15.164 1.00 0.00 O ATOM 886 CB GLU A 53 10.625 -6.976 -13.616 1.00 0.00 C ATOM 887 CG GLU A 53 10.341 -6.171 -14.860 1.00 0.00 C ATOM 888 CD GLU A 53 11.205 -4.967 -14.992 1.00 0.00 C ATOM 889 OE1 GLU A 53 10.889 -3.934 -14.379 1.00 0.00 O ATOM 890 OE2 GLU A 53 12.207 -5.024 -15.748 1.00 0.00 O ATOM 0 H GLU A 53 10.375 -8.175 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 53 8.661 -7.765 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.568 -6.324 -12.744 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.644 -7.360 -13.660 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.479 -6.806 -15.735 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.296 -5.861 -14.853 1.00 0.00 H new ATOM 897 N GLN A 54 11.145 -9.604 -14.345 1.00 0.00 N ATOM 898 CA GLN A 54 11.467 -10.600 -15.287 1.00 0.00 C ATOM 899 C GLN A 54 10.898 -11.961 -14.890 1.00 0.00 C ATOM 900 O GLN A 54 10.923 -12.910 -15.660 1.00 0.00 O ATOM 901 CB GLN A 54 12.930 -10.647 -15.701 1.00 0.00 C ATOM 902 CG GLN A 54 13.412 -9.398 -16.416 1.00 0.00 C ATOM 903 CD GLN A 54 14.829 -9.537 -16.925 1.00 0.00 C ATOM 904 OE1 GLN A 54 15.053 -9.977 -18.053 1.00 0.00 O ATOM 905 NE2 GLN A 54 15.791 -9.180 -16.117 1.00 0.00 N ATOM 0 H GLN A 54 11.885 -9.324 -13.701 1.00 0.00 H new ATOM 0 HA GLN A 54 10.963 -10.300 -16.205 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.543 -10.804 -14.813 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.085 -11.508 -16.352 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.748 -9.182 -17.253 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.355 -8.548 -15.736 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.570 -8.819 -15.189 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.763 -9.262 -16.414 1.00 0.00 H new ATOM 914 N VAL A 55 10.357 -12.017 -13.700 1.00 0.00 N ATOM 915 CA VAL A 55 9.762 -13.188 -13.165 1.00 0.00 C ATOM 916 C VAL A 55 8.218 -13.197 -13.446 1.00 0.00 C ATOM 917 O VAL A 55 7.525 -14.187 -13.183 1.00 0.00 O ATOM 918 CB VAL A 55 10.073 -13.143 -11.647 1.00 0.00 C ATOM 919 CG1 VAL A 55 9.226 -14.092 -10.838 1.00 0.00 C ATOM 920 CG2 VAL A 55 11.552 -13.418 -11.402 1.00 0.00 C ATOM 0 H VAL A 55 10.324 -11.218 -13.067 1.00 0.00 H new ATOM 0 HA VAL A 55 10.152 -14.099 -13.619 1.00 0.00 H new ATOM 0 HB VAL A 55 9.824 -12.137 -11.309 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.494 -14.011 -9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.173 -13.839 -10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.398 -15.113 -11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.756 -13.383 -10.332 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.807 -14.405 -11.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.152 -12.663 -11.910 1.00 0.00 H new ATOM 930 N LEU A 56 7.730 -12.095 -14.067 1.00 0.00 N ATOM 931 CA LEU A 56 6.378 -11.839 -14.518 1.00 0.00 C ATOM 932 C LEU A 56 5.281 -12.060 -13.425 1.00 0.00 C ATOM 933 O LEU A 56 4.079 -11.930 -13.672 1.00 0.00 O ATOM 934 CB LEU A 56 6.245 -12.898 -15.541 1.00 0.00 C ATOM 935 CG LEU A 56 4.909 -13.135 -16.093 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.505 -12.077 -17.111 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.711 -14.552 -16.585 1.00 0.00 C ATOM 0 H LEU A 56 8.342 -11.306 -14.274 1.00 0.00 H new ATOM 0 HA LEU A 56 6.236 -10.806 -14.836 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.913 -12.655 -16.367 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.601 -13.832 -15.108 1.00 0.00 H new ATOM 0 HG LEU A 56 4.213 -13.027 -15.261 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.507 -12.299 -17.490 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.503 -11.096 -16.635 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.215 -12.078 -17.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.702 -14.662 -16.981 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.435 -14.769 -17.370 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.854 -15.248 -15.758 1.00 0.00 H new ATOM 949 N LYS A 57 5.688 -12.233 -12.247 1.00 0.00 N ATOM 950 CA LYS A 57 4.758 -12.579 -11.218 1.00 0.00 C ATOM 951 C LYS A 57 4.708 -11.717 -9.934 1.00 0.00 C ATOM 952 O LYS A 57 5.655 -11.722 -9.140 1.00 0.00 O ATOM 953 CB LYS A 57 4.975 -14.018 -10.927 1.00 0.00 C ATOM 954 CG LYS A 57 3.982 -14.650 -9.960 1.00 0.00 C ATOM 955 CD LYS A 57 2.556 -14.571 -10.478 1.00 0.00 C ATOM 956 CE LYS A 57 1.588 -15.125 -9.464 1.00 0.00 C ATOM 957 NZ LYS A 57 0.194 -15.050 -9.932 1.00 0.00 N ATOM 0 H LYS A 57 6.659 -12.146 -11.946 1.00 0.00 H new ATOM 0 HA LYS A 57 3.767 -12.358 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.941 -14.570 -11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.979 -14.141 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.251 -15.693 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.046 -14.148 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.302 -13.535 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.472 -15.128 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.843 -16.163 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.687 -14.573 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.438 -15.441 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.059 -14.057 -10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.093 -15.598 -10.810 1.00 0.00 H new ATOM 971 N VAL A 58 3.669 -10.889 -9.816 1.00 0.00 N ATOM 972 CA VAL A 58 3.176 -10.386 -8.515 1.00 0.00 C ATOM 973 C VAL A 58 3.208 -11.475 -7.427 1.00 0.00 C ATOM 974 O VAL A 58 2.672 -12.565 -7.593 1.00 0.00 O ATOM 975 CB VAL A 58 1.729 -9.792 -8.637 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.698 -10.827 -9.080 1.00 0.00 C ATOM 977 CG2 VAL A 58 1.318 -9.159 -7.335 1.00 0.00 C ATOM 0 H VAL A 58 3.139 -10.543 -10.616 1.00 0.00 H new ATOM 0 HA VAL A 58 3.855 -9.587 -8.216 1.00 0.00 H new ATOM 0 HB VAL A 58 1.760 -9.032 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.283 -10.358 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.977 -11.224 -10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.663 -11.640 -8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.312 -8.750 -7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.331 -9.910 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.013 -8.358 -7.085 1.00 0.00 H new ATOM 987 N CYS A 59 3.878 -11.173 -6.351 1.00 0.00 N ATOM 988 CA CYS A 59 3.998 -12.088 -5.257 1.00 0.00 C ATOM 989 C CYS A 59 3.255 -11.602 -4.015 1.00 0.00 C ATOM 990 O CYS A 59 2.979 -12.395 -3.129 1.00 0.00 O ATOM 991 CB CYS A 59 5.464 -12.336 -4.941 1.00 0.00 C ATOM 992 SG CYS A 59 6.400 -13.009 -6.327 1.00 0.00 S ATOM 0 H CYS A 59 4.356 -10.283 -6.210 1.00 0.00 H new ATOM 0 HA CYS A 59 3.533 -13.026 -5.560 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.922 -11.399 -4.626 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.534 -13.024 -4.099 1.00 0.00 H new ATOM 0 HG CYS A 59 6.026 -12.426 -7.427 1.00 0.00 H new ATOM 998 N ALA A 60 2.942 -10.300 -3.928 1.00 0.00 N ATOM 999 CA ALA A 60 2.214 -9.816 -2.815 1.00 0.00 C ATOM 1000 C ALA A 60 1.319 -8.783 -3.266 1.00 0.00 C ATOM 1001 O ALA A 60 1.752 -7.832 -3.899 1.00 0.00 O ATOM 1002 CB ALA A 60 3.070 -9.217 -1.738 1.00 0.00 C ATOM 0 H ALA A 60 3.192 -9.595 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 60 1.699 -10.678 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.437 -8.870 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.764 -9.970 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.631 -8.376 -2.145 1.00 0.00 H new ATOM 1008 N ASN A 61 0.115 -8.988 -3.033 1.00 0.00 N ATOM 1009 CA ASN A 61 -0.851 -7.953 -3.157 1.00 0.00 C ATOM 1010 C ASN A 61 -1.278 -7.529 -1.796 1.00 0.00 C ATOM 1011 O ASN A 61 -2.051 -8.201 -1.128 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.024 -8.368 -3.950 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.085 -7.263 -4.139 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -3.030 -6.490 -5.095 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -4.041 -7.178 -3.235 1.00 0.00 N ATOM 0 H ASN A 61 -0.265 -9.889 -2.743 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.389 -7.122 -3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.685 -8.702 -4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.491 -9.225 -3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.759 -6.458 -3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.063 -7.832 -2.452 1.00 0.00 H new ATOM 1022 N HIS A 62 -0.761 -6.449 -1.412 1.00 0.00 N ATOM 1023 CA HIS A 62 -1.029 -5.813 -0.131 1.00 0.00 C ATOM 1024 C HIS A 62 -2.054 -4.722 -0.322 1.00 0.00 C ATOM 1025 O HIS A 62 -1.852 -3.847 -1.103 1.00 0.00 O ATOM 1026 CB HIS A 62 0.194 -5.008 0.333 1.00 0.00 C ATOM 1027 CG HIS A 62 1.426 -5.667 0.781 1.00 0.00 C ATOM 1028 ND1 HIS A 62 2.398 -6.090 -0.089 1.00 0.00 N ATOM 1029 CD2 HIS A 62 1.942 -5.793 2.009 1.00 0.00 C ATOM 1030 CE1 HIS A 62 3.459 -6.434 0.589 1.00 0.00 C ATOM 1031 NE2 HIS A 62 3.208 -6.258 1.868 1.00 0.00 N ATOM 0 H HIS A 62 -0.099 -5.926 -1.985 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.323 -6.605 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.470 -4.349 -0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.139 -4.371 1.152 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.306 -6.130 -1.104 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.443 -5.566 2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.385 -6.801 0.171 1.00 0.00 H new ATOM 1039 N TRP A 63 -3.105 -4.764 0.392 1.00 0.00 N ATOM 1040 CA TRP A 63 -3.998 -3.652 0.464 1.00 0.00 C ATOM 1041 C TRP A 63 -3.456 -2.728 1.529 1.00 0.00 C ATOM 1042 O TRP A 63 -3.029 -3.177 2.596 1.00 0.00 O ATOM 1043 CB TRP A 63 -5.413 -4.075 0.883 1.00 0.00 C ATOM 1044 CG TRP A 63 -6.118 -4.997 -0.074 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -6.765 -4.633 -1.199 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -6.283 -6.422 0.030 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -7.283 -5.729 -1.831 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -7.011 -6.836 -1.099 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -5.880 -7.386 0.946 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -7.345 -8.164 -1.336 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -6.218 -8.709 0.708 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -6.940 -9.082 -0.424 1.00 0.00 C ATOM 0 H TRP A 63 -3.385 -5.569 0.952 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.064 -3.183 -0.518 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.355 -4.563 1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -6.019 -3.178 1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.861 -3.617 -1.552 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.793 -5.715 -2.714 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.316 -7.110 1.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.905 -8.454 -2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.915 -9.467 1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.182 -10.123 -0.578 1.00 0.00 H new ATOM 1063 N ILE A 64 -3.445 -1.478 1.237 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.969 -0.500 2.128 1.00 0.00 C ATOM 1065 C ILE A 64 -4.161 0.234 2.708 1.00 0.00 C ATOM 1066 O ILE A 64 -4.975 0.817 1.989 1.00 0.00 O ATOM 1067 CB ILE A 64 -1.813 0.386 1.479 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -1.580 1.757 2.152 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -1.969 0.528 -0.017 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -2.617 2.795 1.791 1.00 0.00 C ATOM 0 H ILE A 64 -3.776 -1.104 0.348 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.452 -0.945 2.978 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.905 -0.184 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.573 1.624 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.594 2.127 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.157 1.140 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.939 -0.458 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.924 1.005 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.388 3.731 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.609 2.957 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.603 2.446 2.098 1.00 0.00 H new ATOM 1082 N THR A 65 -4.318 0.060 3.977 1.00 0.00 N ATOM 1083 CA THR A 65 -5.435 0.547 4.713 1.00 0.00 C ATOM 1084 C THR A 65 -5.007 0.990 6.078 1.00 0.00 C ATOM 1085 O THR A 65 -3.943 0.619 6.547 1.00 0.00 O ATOM 1086 CB THR A 65 -6.535 -0.558 4.811 1.00 0.00 C ATOM 1087 OG1 THR A 65 -7.566 -0.212 5.741 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.946 -1.925 5.165 1.00 0.00 C ATOM 0 H THR A 65 -3.645 -0.446 4.552 1.00 0.00 H new ATOM 0 HA THR A 65 -5.853 1.408 4.191 1.00 0.00 H new ATOM 0 HB THR A 65 -6.982 -0.625 3.819 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.234 -0.929 5.771 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.747 -2.662 5.222 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.232 -2.224 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.439 -1.864 6.128 1.00 0.00 H new ATOM 1096 N THR A 66 -5.867 1.738 6.722 1.00 0.00 N ATOM 1097 CA THR A 66 -5.682 2.181 8.082 1.00 0.00 C ATOM 1098 C THR A 66 -5.958 1.030 9.059 1.00 0.00 C ATOM 1099 O THR A 66 -5.803 1.163 10.274 1.00 0.00 O ATOM 1100 CB THR A 66 -6.589 3.347 8.406 1.00 0.00 C ATOM 1101 OG1 THR A 66 -7.960 3.006 8.152 1.00 0.00 O ATOM 1102 CG2 THR A 66 -6.230 4.526 7.594 1.00 0.00 C ATOM 0 H THR A 66 -6.738 2.065 6.304 1.00 0.00 H new ATOM 0 HA THR A 66 -4.647 2.507 8.187 1.00 0.00 H new ATOM 0 HB THR A 66 -6.463 3.582 9.463 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.533 3.771 8.369 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.894 5.354 7.842 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.199 4.812 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.331 4.284 6.536 1.00 0.00 H new ATOM 1110 N THR A 67 -6.379 -0.094 8.496 1.00 0.00 N ATOM 1111 CA THR A 67 -6.687 -1.305 9.222 1.00 0.00 C ATOM 1112 C THR A 67 -5.366 -2.045 9.470 1.00 0.00 C ATOM 1113 O THR A 67 -5.285 -3.044 10.189 1.00 0.00 O ATOM 1114 CB THR A 67 -7.633 -2.171 8.333 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.792 -1.396 7.984 1.00 0.00 O ATOM 1116 CG2 THR A 67 -8.071 -3.460 9.018 1.00 0.00 C ATOM 0 H THR A 67 -6.518 -0.185 7.490 1.00 0.00 H new ATOM 0 HA THR A 67 -7.176 -1.097 10.174 1.00 0.00 H new ATOM 0 HB THR A 67 -7.073 -2.456 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.389 -1.935 7.424 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.727 -4.021 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.194 -4.062 9.255 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.606 -3.220 9.937 1.00 0.00 H new ATOM 1124 N MET A 68 -4.336 -1.495 8.901 1.00 0.00 N ATOM 1125 CA MET A 68 -3.082 -1.984 8.932 1.00 0.00 C ATOM 1126 C MET A 68 -2.175 -0.819 9.217 1.00 0.00 C ATOM 1127 O MET A 68 -2.575 0.346 9.117 1.00 0.00 O ATOM 1128 CB MET A 68 -2.816 -2.584 7.583 1.00 0.00 C ATOM 1129 CG MET A 68 -1.425 -3.108 7.368 1.00 0.00 C ATOM 1130 SD MET A 68 -0.317 -1.932 6.567 1.00 0.00 S ATOM 1131 CE MET A 68 -1.107 -1.720 4.976 1.00 0.00 C ATOM 0 H MET A 68 -4.407 -0.625 8.373 1.00 0.00 H new ATOM 0 HA MET A 68 -2.925 -2.750 9.692 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.521 -3.400 7.423 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.022 -1.830 6.823 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.002 -3.393 8.331 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.478 -4.013 6.763 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.402 -1.971 4.183 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.975 -2.376 4.911 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.426 -0.684 4.863 1.00 0.00 H new ATOM 1141 N ASN A 69 -1.037 -1.138 9.584 1.00 0.00 N ATOM 1142 CA ASN A 69 -0.023 -0.235 9.956 1.00 0.00 C ATOM 1143 C ASN A 69 1.313 -0.728 9.431 1.00 0.00 C ATOM 1144 O ASN A 69 1.591 -1.935 9.461 1.00 0.00 O ATOM 1145 CB ASN A 69 -0.012 -0.204 11.459 1.00 0.00 C ATOM 1146 CG ASN A 69 1.075 0.661 12.061 1.00 0.00 C ATOM 1147 OD1 ASN A 69 2.145 0.187 12.428 1.00 0.00 O ATOM 1148 ND2 ASN A 69 0.816 1.936 12.167 1.00 0.00 N ATOM 0 H ASN A 69 -0.740 -2.112 9.646 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.199 0.760 9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.980 0.154 11.810 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.104 -1.222 11.830 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.513 2.567 12.564 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.083 2.302 11.853 1.00 0.00 H new ATOM 1155 N LEU A 70 2.102 0.189 8.933 1.00 0.00 N ATOM 1156 CA LEU A 70 3.377 -0.041 8.528 1.00 0.00 C ATOM 1157 C LEU A 70 4.326 0.142 9.676 1.00 0.00 C ATOM 1158 O LEU A 70 4.212 1.060 10.498 1.00 0.00 O ATOM 1159 CB LEU A 70 3.706 0.752 7.270 1.00 0.00 C ATOM 1160 CG LEU A 70 3.360 2.232 7.160 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.032 2.997 8.235 1.00 0.00 C ATOM 1162 CD2 LEU A 70 3.870 2.669 5.832 1.00 0.00 C ATOM 0 H LEU A 70 1.810 1.159 8.811 1.00 0.00 H new ATOM 0 HA LEU A 70 3.493 -1.081 8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.780 0.663 7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.216 0.247 6.438 1.00 0.00 H new ATOM 0 HG LEU A 70 2.288 2.401 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.776 4.053 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.703 2.626 9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.112 2.876 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.653 3.728 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.947 2.510 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.384 2.090 5.047 1.00 0.00 H new ATOM 1174 N LYS A 71 5.169 -0.751 9.763 1.00 0.00 N ATOM 1175 CA LYS A 71 6.096 -0.872 10.867 1.00 0.00 C ATOM 1176 C LYS A 71 7.491 -1.113 10.275 1.00 0.00 C ATOM 1177 O LYS A 71 7.611 -1.812 9.286 1.00 0.00 O ATOM 1178 CB LYS A 71 5.652 -2.072 11.715 1.00 0.00 C ATOM 1179 CG LYS A 71 6.082 -2.065 13.169 1.00 0.00 C ATOM 1180 CD LYS A 71 5.351 -0.980 13.947 1.00 0.00 C ATOM 1181 CE LYS A 71 5.633 -1.091 15.428 1.00 0.00 C ATOM 1182 NZ LYS A 71 4.895 -0.089 16.220 1.00 0.00 N ATOM 0 H LYS A 71 5.280 -1.480 9.058 1.00 0.00 H new ATOM 0 HA LYS A 71 6.118 0.022 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.564 -2.131 11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.035 -2.980 11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.880 -3.038 13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.158 -1.902 13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.660 0.001 13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.278 -1.061 13.770 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.365 -2.090 15.772 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.702 -0.970 15.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.123 -0.207 17.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.168 0.866 15.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.873 -0.219 16.078 1.00 0.00 H new ATOM 1196 N PRO A 72 8.555 -0.522 10.818 1.00 0.00 N ATOM 1197 CA PRO A 72 9.879 -0.672 10.244 1.00 0.00 C ATOM 1198 C PRO A 72 10.641 -1.892 10.770 1.00 0.00 C ATOM 1199 O PRO A 72 10.326 -2.441 11.844 1.00 0.00 O ATOM 1200 CB PRO A 72 10.579 0.618 10.663 1.00 0.00 C ATOM 1201 CG PRO A 72 9.948 0.993 11.968 1.00 0.00 C ATOM 1202 CD PRO A 72 8.575 0.347 12.010 1.00 0.00 C ATOM 0 HA PRO A 72 9.833 -0.833 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.653 0.467 10.772 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.442 1.402 9.918 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.559 0.650 12.803 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.866 2.076 12.057 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.431 -0.227 12.925 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.781 1.093 11.974 1.00 0.00 H new ATOM 1210 N LEU A 73 11.591 -2.349 9.984 1.00 0.00 N ATOM 1211 CA LEU A 73 12.488 -3.363 10.348 1.00 0.00 C ATOM 1212 C LEU A 73 13.751 -2.748 10.880 1.00 0.00 C ATOM 1213 O LEU A 73 13.981 -1.544 10.716 1.00 0.00 O ATOM 1214 CB LEU A 73 12.875 -4.187 9.128 1.00 0.00 C ATOM 1215 CG LEU A 73 12.711 -3.586 7.722 1.00 0.00 C ATOM 1216 CD1 LEU A 73 13.682 -4.254 6.768 1.00 0.00 C ATOM 1217 CD2 LEU A 73 11.304 -3.829 7.208 1.00 0.00 C ATOM 0 H LEU A 73 11.745 -1.993 9.040 1.00 0.00 H new ATOM 0 HA LEU A 73 12.005 -3.990 11.098 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.922 -4.467 9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.293 -5.108 9.159 1.00 0.00 H new ATOM 0 HG LEU A 73 12.906 -2.515 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.565 -3.827 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.703 -4.092 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.477 -5.324 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.201 -3.399 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.114 -4.901 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.585 -3.362 7.881 1.00 0.00 H new ATOM 1229 N SER A 74 14.560 -3.551 11.501 1.00 0.00 N ATOM 1230 CA SER A 74 15.865 -3.131 11.889 1.00 0.00 C ATOM 1231 C SER A 74 16.739 -3.055 10.696 1.00 0.00 C ATOM 1232 O SER A 74 16.560 -3.817 9.736 1.00 0.00 O ATOM 1233 CB SER A 74 16.496 -4.108 12.826 1.00 0.00 C ATOM 1234 OG SER A 74 15.860 -4.102 14.096 1.00 0.00 O ATOM 0 H SER A 74 14.332 -4.513 11.751 1.00 0.00 H new ATOM 0 HA SER A 74 15.760 -2.161 12.376 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.444 -5.109 12.398 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.552 -3.867 12.946 1.00 0.00 H new ATOM 0 HG SER A 74 16.297 -4.754 14.684 1.00 0.00 H new ATOM 1240 N GLY A 75 17.651 -2.130 10.722 1.00 0.00 N ATOM 1241 CA GLY A 75 18.607 -2.070 9.691 1.00 0.00 C ATOM 1242 C GLY A 75 18.023 -1.563 8.373 1.00 0.00 C ATOM 1243 O GLY A 75 18.633 -1.699 7.310 1.00 0.00 O ATOM 0 H GLY A 75 17.742 -1.417 11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.424 -1.417 9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.032 -3.062 9.537 1.00 0.00 H new ATOM 1247 N SER A 76 16.832 -0.996 8.456 1.00 0.00 N ATOM 1248 CA SER A 76 16.141 -0.437 7.372 1.00 0.00 C ATOM 1249 C SER A 76 16.678 0.929 7.025 1.00 0.00 C ATOM 1250 O SER A 76 17.080 1.732 7.893 1.00 0.00 O ATOM 1251 CB SER A 76 14.682 -0.370 7.798 1.00 0.00 C ATOM 1252 OG SER A 76 14.509 0.418 8.974 1.00 0.00 O ATOM 0 H SER A 76 16.320 -0.924 9.335 1.00 0.00 H new ATOM 0 HA SER A 76 16.261 -1.040 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.086 0.050 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.309 -1.378 7.978 1.00 0.00 H new ATOM 0 HG SER A 76 14.301 -0.167 9.732 1.00 0.00 H new ATOM 1258 N ASP A 77 16.701 1.163 5.752 1.00 0.00 N ATOM 1259 CA ASP A 77 17.046 2.405 5.176 1.00 0.00 C ATOM 1260 C ASP A 77 15.847 3.211 5.365 1.00 0.00 C ATOM 1261 O ASP A 77 15.856 4.252 6.020 1.00 0.00 O ATOM 1262 CB ASP A 77 17.326 2.271 3.661 1.00 0.00 C ATOM 1263 CG ASP A 77 16.801 0.973 3.049 1.00 0.00 C ATOM 1264 OD1 ASP A 77 15.588 0.688 3.193 1.00 0.00 O ATOM 1265 OD2 ASP A 77 17.624 0.177 2.511 1.00 0.00 O ATOM 0 H ASP A 77 16.467 0.452 5.059 1.00 0.00 H new ATOM 0 HA ASP A 77 17.946 2.825 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.874 3.116 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.401 2.332 3.493 1.00 0.00 H new ATOM 1270 N ARG A 78 14.783 2.631 4.879 1.00 0.00 N ATOM 1271 CA ARG A 78 13.471 3.132 5.035 1.00 0.00 C ATOM 1272 C ARG A 78 12.494 2.132 4.443 1.00 0.00 C ATOM 1273 O ARG A 78 11.540 2.442 3.707 1.00 0.00 O ATOM 1274 CB ARG A 78 13.290 4.525 4.498 1.00 0.00 C ATOM 1275 CG ARG A 78 12.189 5.275 5.246 1.00 0.00 C ATOM 1276 CD ARG A 78 12.586 5.644 6.674 1.00 0.00 C ATOM 1277 NE ARG A 78 13.559 6.744 6.711 1.00 0.00 N ATOM 1278 CZ ARG A 78 14.395 7.009 7.713 1.00 0.00 C ATOM 1279 NH1 ARG A 78 14.488 6.188 8.749 1.00 0.00 N ATOM 1280 NH2 ARG A 78 15.145 8.096 7.664 1.00 0.00 N ATOM 0 H ARG A 78 14.823 1.763 4.345 1.00 0.00 H new ATOM 0 HA ARG A 78 13.266 3.240 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.228 5.074 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.044 4.478 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.938 6.183 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.290 4.659 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.696 5.929 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.009 4.770 7.169 1.00 0.00 H new ATOM 0 HE ARG A 78 13.598 7.359 5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.916 5.344 8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.131 6.400 9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.081 8.724 6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.788 8.307 8.427 1.00 0.00 H new ATOM 1294 N ALA A 79 12.689 0.960 4.862 1.00 0.00 N ATOM 1295 CA ALA A 79 11.938 -0.150 4.459 1.00 0.00 C ATOM 1296 C ALA A 79 11.039 -0.501 5.625 1.00 0.00 C ATOM 1297 O ALA A 79 11.462 -0.452 6.772 1.00 0.00 O ATOM 1298 CB ALA A 79 12.884 -1.285 4.198 1.00 0.00 C ATOM 0 H ALA A 79 13.419 0.730 5.536 1.00 0.00 H new ATOM 0 HA ALA A 79 11.355 0.049 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.321 -2.163 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.585 -1.001 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.435 -1.516 5.110 1.00 0.00 H new ATOM 1304 N TRP A 80 9.818 -0.841 5.333 1.00 0.00 N ATOM 1305 CA TRP A 80 8.801 -1.044 6.338 1.00 0.00 C ATOM 1306 C TRP A 80 8.061 -2.250 5.913 1.00 0.00 C ATOM 1307 O TRP A 80 8.177 -2.661 4.736 1.00 0.00 O ATOM 1308 CB TRP A 80 7.798 0.151 6.486 1.00 0.00 C ATOM 1309 CG TRP A 80 8.391 1.492 6.897 1.00 0.00 C ATOM 1310 CD1 TRP A 80 9.302 2.237 6.217 1.00 0.00 C ATOM 1311 CD2 TRP A 80 8.062 2.261 8.066 1.00 0.00 C ATOM 1312 NE1 TRP A 80 9.558 3.401 6.884 1.00 0.00 N ATOM 1313 CE2 TRP A 80 8.818 3.439 8.018 1.00 0.00 C ATOM 1314 CE3 TRP A 80 7.210 2.068 9.142 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 8.747 4.418 9.005 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 7.137 3.038 10.124 1.00 0.00 C ATOM 1317 CH2 TRP A 80 7.902 4.197 10.046 1.00 0.00 C ATOM 0 H TRP A 80 9.490 -0.989 4.379 1.00 0.00 H new ATOM 0 HA TRP A 80 9.280 -1.139 7.313 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.283 0.283 5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 80 7.043 -0.127 7.221 1.00 0.00 H new ATOM 0 HD1 TRP A 80 9.759 1.949 5.282 1.00 0.00 H new ATOM 0 HE1 TRP A 80 10.205 4.127 6.577 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.611 1.172 9.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 9.341 5.318 8.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.475 2.894 10.965 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.823 4.937 10.829 1.00 0.00 H new ATOM 1328 N MET A 81 7.355 -2.809 6.803 1.00 0.00 N ATOM 1329 CA MET A 81 6.641 -3.950 6.597 1.00 0.00 C ATOM 1330 C MET A 81 5.284 -3.662 6.990 1.00 0.00 C ATOM 1331 O MET A 81 5.029 -2.743 7.773 1.00 0.00 O ATOM 1332 CB MET A 81 7.234 -5.196 7.301 1.00 0.00 C ATOM 1333 CG MET A 81 7.683 -5.054 8.761 1.00 0.00 C ATOM 1334 SD MET A 81 6.355 -4.782 9.956 1.00 0.00 S ATOM 1335 CE MET A 81 5.368 -6.256 9.758 1.00 0.00 C ATOM 0 H MET A 81 7.268 -2.442 7.751 1.00 0.00 H new ATOM 0 HA MET A 81 6.682 -4.230 5.544 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.489 -5.990 7.257 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.092 -5.531 6.719 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.226 -5.955 9.046 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.386 -4.223 8.828 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.600 -6.286 10.531 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.895 -6.248 8.776 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.006 -7.136 9.846 1.00 0.00 H new ATOM 1345 N TRP A 82 4.440 -4.359 6.437 1.00 0.00 N ATOM 1346 CA TRP A 82 3.088 -4.172 6.638 1.00 0.00 C ATOM 1347 C TRP A 82 2.587 -5.519 6.892 1.00 0.00 C ATOM 1348 O TRP A 82 3.128 -6.489 6.308 1.00 0.00 O ATOM 1349 CB TRP A 82 2.396 -3.709 5.342 1.00 0.00 C ATOM 1350 CG TRP A 82 2.958 -2.500 4.677 1.00 0.00 C ATOM 1351 CD1 TRP A 82 2.545 -1.226 4.832 1.00 0.00 C ATOM 1352 CD2 TRP A 82 4.014 -2.465 3.715 1.00 0.00 C ATOM 1353 NE1 TRP A 82 3.285 -0.390 4.045 1.00 0.00 N ATOM 1354 CE2 TRP A 82 4.194 -1.126 3.349 1.00 0.00 C ATOM 1355 CE3 TRP A 82 4.830 -3.436 3.137 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 5.149 -0.729 2.430 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 5.776 -3.043 2.225 1.00 0.00 C ATOM 1358 CH2 TRP A 82 5.929 -1.698 1.880 1.00 0.00 C ATOM 0 H TRP A 82 4.666 -5.119 5.796 1.00 0.00 H new ATOM 0 HA TRP A 82 2.907 -3.439 7.424 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.423 -4.533 4.629 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.347 -3.517 5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.744 -0.912 5.485 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.174 0.622 3.988 1.00 0.00 H new ATOM 0 HE3 TRP A 82 4.720 -4.477 3.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 5.270 0.310 2.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.413 -3.785 1.766 1.00 0.00 H new ATOM 0 HH2 TRP A 82 6.684 -1.421 1.160 1.00 0.00 H new ATOM 1369 N LEU A 83 1.618 -5.663 7.689 1.00 0.00 N ATOM 1370 CA LEU A 83 1.056 -6.934 7.719 1.00 0.00 C ATOM 1371 C LEU A 83 -0.178 -6.831 6.905 1.00 0.00 C ATOM 1372 O LEU A 83 -1.025 -5.999 7.153 1.00 0.00 O ATOM 1373 CB LEU A 83 0.766 -7.483 9.124 1.00 0.00 C ATOM 1374 CG LEU A 83 -0.236 -6.729 10.025 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -0.643 -7.623 11.182 1.00 0.00 C ATOM 1376 CD2 LEU A 83 0.379 -5.446 10.583 1.00 0.00 C ATOM 0 H LEU A 83 1.213 -4.955 8.302 1.00 0.00 H new ATOM 0 HA LEU A 83 1.768 -7.657 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.404 -8.505 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.714 -7.538 9.659 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.105 -6.465 9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.350 -7.093 11.820 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.111 -8.528 10.795 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.240 -7.890 11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.350 -4.937 11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.261 -5.693 11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.666 -4.792 9.760 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.288 -7.647 5.964 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.365 -7.529 5.042 1.00 0.00 C ATOM 1390 C ALA A 84 -1.797 -8.827 4.652 1.00 0.00 C ATOM 1391 O ALA A 84 -1.039 -9.797 4.768 1.00 0.00 O ATOM 1392 CB ALA A 84 -0.929 -6.824 3.776 1.00 0.00 C ATOM 0 H ALA A 84 0.351 -8.423 5.789 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.156 -6.964 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.774 -6.749 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.571 -5.824 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.127 -7.390 3.302 1.00 0.00 H new ATOM 1398 N SER A 85 -2.966 -8.897 4.186 1.00 0.00 N ATOM 1399 CA SER A 85 -3.311 -10.030 3.534 1.00 0.00 C ATOM 1400 C SER A 85 -2.974 -9.858 2.145 1.00 0.00 C ATOM 1401 O SER A 85 -3.240 -8.841 1.519 1.00 0.00 O ATOM 1402 CB SER A 85 -4.706 -10.468 3.738 1.00 0.00 C ATOM 1403 OG SER A 85 -4.977 -11.754 3.161 1.00 0.00 O ATOM 0 H SER A 85 -3.684 -8.176 4.253 1.00 0.00 H new ATOM 0 HA SER A 85 -2.742 -10.855 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.918 -10.503 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.381 -9.731 3.303 1.00 0.00 H new ATOM 0 HG SER A 85 -4.139 -12.253 3.067 1.00 0.00 H new ATOM 1409 N ASP A 86 -2.286 -10.777 1.741 1.00 0.00 N ATOM 1410 CA ASP A 86 -1.888 -10.896 0.436 1.00 0.00 C ATOM 1411 C ASP A 86 -2.726 -11.930 -0.259 1.00 0.00 C ATOM 1412 O ASP A 86 -3.121 -12.913 0.347 1.00 0.00 O ATOM 1413 CB ASP A 86 -0.372 -11.170 0.267 1.00 0.00 C ATOM 1414 CG ASP A 86 -0.049 -12.044 -0.967 1.00 0.00 C ATOM 1415 OD1 ASP A 86 -0.092 -11.541 -2.116 1.00 0.00 O ATOM 1416 OD2 ASP A 86 0.231 -13.260 -0.800 1.00 0.00 O ATOM 0 H ASP A 86 -1.952 -11.530 2.342 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.049 -9.928 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.156 -10.220 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.004 -11.663 1.163 1.00 0.00 H new ATOM 1421 N PHE A 87 -3.071 -11.628 -1.459 1.00 0.00 N ATOM 1422 CA PHE A 87 -3.670 -12.518 -2.406 1.00 0.00 C ATOM 1423 C PHE A 87 -3.395 -11.861 -3.695 1.00 0.00 C ATOM 1424 O PHE A 87 -4.175 -11.064 -4.192 1.00 0.00 O ATOM 1425 CB PHE A 87 -5.156 -12.690 -2.250 1.00 0.00 C ATOM 1426 CG PHE A 87 -5.826 -13.719 -3.165 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -6.308 -13.344 -4.417 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -5.987 -15.019 -2.777 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -6.928 -14.258 -5.245 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -6.602 -15.940 -3.597 1.00 0.00 C ATOM 1431 CZ PHE A 87 -7.072 -15.560 -4.832 1.00 0.00 C ATOM 0 H PHE A 87 -2.936 -10.690 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.266 -13.524 -2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.360 -12.969 -1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.631 -11.723 -2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.195 -12.321 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.625 -15.331 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.298 -13.951 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.715 -16.963 -3.269 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.553 -16.283 -5.475 1.00 0.00 H new ATOM 1441 N SER A 88 -2.217 -12.048 -4.124 1.00 0.00 N ATOM 1442 CA SER A 88 -1.757 -11.534 -5.357 1.00 0.00 C ATOM 1443 C SER A 88 -2.528 -12.216 -6.464 1.00 0.00 C ATOM 1444 O SER A 88 -2.855 -11.620 -7.498 1.00 0.00 O ATOM 1445 CB SER A 88 -0.259 -11.740 -5.376 1.00 0.00 C ATOM 1446 OG SER A 88 0.091 -12.819 -4.503 1.00 0.00 O ATOM 0 H SER A 88 -1.514 -12.582 -3.613 1.00 0.00 H new ATOM 0 HA SER A 88 -1.931 -10.468 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.075 -11.957 -6.391 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.247 -10.827 -5.063 1.00 0.00 H new ATOM 0 HG SER A 88 0.212 -12.477 -3.593 1.00 0.00 H new ATOM 1452 N ASP A 89 -2.792 -13.478 -6.182 1.00 0.00 N ATOM 1453 CA ASP A 89 -3.699 -14.359 -6.866 1.00 0.00 C ATOM 1454 C ASP A 89 -3.427 -15.704 -6.268 1.00 0.00 C ATOM 1455 O ASP A 89 -3.680 -16.758 -6.859 1.00 0.00 O ATOM 1456 CB ASP A 89 -3.423 -14.374 -8.359 1.00 0.00 C ATOM 1457 CG ASP A 89 -4.427 -15.186 -9.173 1.00 0.00 C ATOM 1458 OD1 ASP A 89 -5.655 -14.968 -9.034 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -4.004 -16.064 -9.960 1.00 0.00 O ATOM 0 H ASP A 89 -2.334 -13.946 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.738 -14.050 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.419 -13.348 -8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.424 -14.777 -8.528 1.00 0.00 H new ATOM 1464 N GLY A 90 -3.001 -15.686 -5.011 1.00 0.00 N ATOM 1465 CA GLY A 90 -2.418 -16.880 -4.532 1.00 0.00 C ATOM 1466 C GLY A 90 -3.218 -17.505 -3.547 1.00 0.00 C ATOM 1467 O GLY A 90 -3.835 -18.557 -3.770 1.00 0.00 O ATOM 0 H GLY A 90 -3.052 -14.902 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.265 -17.567 -5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.435 -16.661 -4.115 1.00 0.00 H new ATOM 1471 N ASP A 91 -3.254 -16.860 -2.494 1.00 0.00 N ATOM 1472 CA ASP A 91 -3.923 -17.335 -1.317 1.00 0.00 C ATOM 1473 C ASP A 91 -4.065 -16.225 -0.380 1.00 0.00 C ATOM 1474 O ASP A 91 -3.092 -15.537 -0.118 1.00 0.00 O ATOM 1475 CB ASP A 91 -3.067 -18.370 -0.694 1.00 0.00 C ATOM 1476 CG ASP A 91 -3.569 -18.892 0.651 1.00 0.00 C ATOM 1477 OD1 ASP A 91 -4.430 -19.797 0.644 1.00 0.00 O ATOM 1478 OD2 ASP A 91 -3.100 -18.459 1.723 1.00 0.00 O ATOM 0 H ASP A 91 -2.815 -15.947 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.903 -17.741 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.977 -19.210 -1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.066 -17.960 -0.558 1.00 0.00 H new ATOM 1483 N ALA A 92 -5.252 -16.040 0.122 1.00 0.00 N ATOM 1484 CA ALA A 92 -5.507 -14.937 0.999 1.00 0.00 C ATOM 1485 C ALA A 92 -5.004 -15.273 2.367 1.00 0.00 C ATOM 1486 O ALA A 92 -5.647 -15.991 3.140 1.00 0.00 O ATOM 1487 CB ALA A 92 -6.989 -14.591 1.029 1.00 0.00 C ATOM 0 H ALA A 92 -6.057 -16.639 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.980 -14.057 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.153 -13.750 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.320 -14.322 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.557 -15.453 1.380 1.00 0.00 H new ATOM 1493 N LYS A 93 -3.851 -14.780 2.648 1.00 0.00 N ATOM 1494 CA LYS A 93 -3.208 -15.019 3.907 1.00 0.00 C ATOM 1495 C LYS A 93 -2.651 -13.727 4.370 1.00 0.00 C ATOM 1496 O LYS A 93 -2.367 -12.858 3.549 1.00 0.00 O ATOM 1497 CB LYS A 93 -2.037 -15.952 3.737 1.00 0.00 C ATOM 1498 CG LYS A 93 -1.731 -16.815 4.945 1.00 0.00 C ATOM 1499 CD LYS A 93 -0.375 -17.517 4.820 1.00 0.00 C ATOM 1500 CE LYS A 93 -0.242 -18.376 3.554 1.00 0.00 C ATOM 1501 NZ LYS A 93 -1.286 -19.410 3.432 1.00 0.00 N ATOM 0 H LYS A 93 -3.315 -14.192 2.009 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.930 -15.449 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.229 -16.602 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.153 -15.362 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.738 -16.197 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.516 -17.562 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.415 -16.766 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.220 -18.148 5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.280 -17.727 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.736 -18.857 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.940 -20.183 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.517 -19.783 4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.139 -18.994 3.006 1.00 0.00 H new ATOM 1515 N LEU A 94 -2.494 -13.575 5.632 1.00 0.00 N ATOM 1516 CA LEU A 94 -1.845 -12.413 6.125 1.00 0.00 C ATOM 1517 C LEU A 94 -0.476 -12.741 6.586 1.00 0.00 C ATOM 1518 O LEU A 94 -0.263 -13.687 7.342 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.690 -11.502 7.071 1.00 0.00 C ATOM 1520 CG LEU A 94 -3.235 -12.061 8.397 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -2.133 -12.271 9.421 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -4.295 -11.126 8.954 1.00 0.00 C ATOM 0 H LEU A 94 -2.804 -14.237 6.343 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.735 -11.735 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.079 -10.632 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.543 -11.142 6.496 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.678 -13.035 8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.562 -12.666 10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.402 -12.978 9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.643 -11.320 9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.677 -11.527 9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.857 -10.144 9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.112 -11.035 8.239 1.00 0.00 H new ATOM 1534 N GLU A 95 0.437 -12.022 6.073 1.00 0.00 N ATOM 1535 CA GLU A 95 1.752 -12.210 6.272 1.00 0.00 C ATOM 1536 C GLU A 95 2.281 -10.863 6.342 1.00 0.00 C ATOM 1537 O GLU A 95 1.612 -9.875 5.961 1.00 0.00 O ATOM 1538 CB GLU A 95 2.333 -13.032 5.124 1.00 0.00 C ATOM 1539 CG GLU A 95 3.734 -13.598 5.373 1.00 0.00 C ATOM 1540 CD GLU A 95 4.234 -14.429 4.219 1.00 0.00 C ATOM 1541 OE1 GLU A 95 3.926 -15.627 4.153 1.00 0.00 O ATOM 1542 OE2 GLU A 95 4.943 -13.909 3.355 1.00 0.00 O ATOM 0 H GLU A 95 0.234 -11.233 5.460 1.00 0.00 H new ATOM 0 HA GLU A 95 1.999 -12.772 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.656 -13.860 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.364 -12.408 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.428 -12.777 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.721 -14.207 6.277 1.00 0.00 H new ATOM 1549 N GLN A 96 3.386 -10.785 6.825 1.00 0.00 N ATOM 1550 CA GLN A 96 3.980 -9.623 7.005 1.00 0.00 C ATOM 1551 C GLN A 96 5.023 -9.595 5.950 1.00 0.00 C ATOM 1552 O GLN A 96 5.885 -10.455 5.880 1.00 0.00 O ATOM 1553 CB GLN A 96 4.562 -9.501 8.408 1.00 0.00 C ATOM 1554 CG GLN A 96 3.568 -9.805 9.527 1.00 0.00 C ATOM 1555 CD GLN A 96 4.139 -9.556 10.901 1.00 0.00 C ATOM 1556 OE1 GLN A 96 5.341 -9.659 11.116 1.00 0.00 O ATOM 1557 NE2 GLN A 96 3.292 -9.249 11.842 1.00 0.00 N ATOM 0 H GLN A 96 3.935 -11.591 7.125 1.00 0.00 H new ATOM 0 HA GLN A 96 3.296 -8.778 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.411 -10.179 8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.946 -8.490 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.677 -9.191 9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.252 -10.846 9.453 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.298 -9.172 11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.623 -9.086 12.793 1.00 0.00 H new ATOM 1566 N LEU A 97 4.872 -8.719 5.102 1.00 0.00 N ATOM 1567 CA LEU A 97 5.734 -8.547 4.042 1.00 0.00 C ATOM 1568 C LEU A 97 6.400 -7.212 4.171 1.00 0.00 C ATOM 1569 O LEU A 97 5.749 -6.222 4.531 1.00 0.00 O ATOM 1570 CB LEU A 97 4.953 -8.547 2.754 1.00 0.00 C ATOM 1571 CG LEU A 97 4.283 -9.825 2.217 1.00 0.00 C ATOM 1572 CD1 LEU A 97 5.216 -11.000 2.218 1.00 0.00 C ATOM 1573 CD2 LEU A 97 2.969 -10.135 2.910 1.00 0.00 C ATOM 0 H LEU A 97 4.099 -8.053 5.116 1.00 0.00 H new ATOM 0 HA LEU A 97 6.469 -9.352 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.168 -7.799 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.628 -8.192 1.975 1.00 0.00 H new ATOM 0 HG LEU A 97 4.036 -9.622 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.697 -11.877 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.078 -10.781 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.552 -11.197 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.543 -11.046 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.144 -10.274 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.275 -9.308 2.761 1.00 0.00 H new ATOM 1585 N ALA A 98 7.651 -7.173 3.854 1.00 0.00 N ATOM 1586 CA ALA A 98 8.421 -5.969 3.913 1.00 0.00 C ATOM 1587 C ALA A 98 8.863 -5.627 2.529 1.00 0.00 C ATOM 1588 O ALA A 98 8.906 -6.503 1.670 1.00 0.00 O ATOM 1589 CB ALA A 98 9.638 -6.130 4.823 1.00 0.00 C ATOM 0 H ALA A 98 8.178 -7.988 3.541 1.00 0.00 H new ATOM 0 HA ALA A 98 7.805 -5.171 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.201 -5.197 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.308 -6.379 5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.274 -6.929 4.442 1.00 0.00 H new ATOM 1595 N ALA A 99 9.150 -4.385 2.295 1.00 0.00 N ATOM 1596 CA ALA A 99 9.628 -3.969 1.009 1.00 0.00 C ATOM 1597 C ALA A 99 10.533 -2.773 1.152 1.00 0.00 C ATOM 1598 O ALA A 99 10.222 -1.804 1.914 1.00 0.00 O ATOM 1599 CB ALA A 99 8.473 -3.667 0.066 1.00 0.00 C ATOM 0 H ALA A 99 9.062 -3.635 2.981 1.00 0.00 H new ATOM 0 HA ALA A 99 10.202 -4.788 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.866 -3.354 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.864 -4.562 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.861 -2.868 0.485 1.00 0.00 H new ATOM 1605 N LYS A 100 11.636 -2.802 0.453 1.00 0.00 N ATOM 1606 CA LYS A 100 12.549 -1.778 0.481 1.00 0.00 C ATOM 1607 C LYS A 100 12.831 -1.360 -0.867 1.00 0.00 C ATOM 1608 O LYS A 100 12.811 -2.142 -1.822 1.00 0.00 O ATOM 1609 CB LYS A 100 13.870 -2.088 1.161 1.00 0.00 C ATOM 1610 CG LYS A 100 14.779 -3.103 0.487 1.00 0.00 C ATOM 1611 CD LYS A 100 16.232 -2.851 0.861 1.00 0.00 C ATOM 1612 CE LYS A 100 16.466 -2.954 2.355 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.819 -2.513 2.719 1.00 0.00 N ATOM 0 H LYS A 100 11.898 -3.576 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 100 12.076 -1.000 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.424 -1.155 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.655 -2.444 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.491 -4.111 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.661 -3.044 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.868 -3.570 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.527 -1.860 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.730 -2.347 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.319 -3.985 2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.940 -2.580 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.520 -3.119 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 17.956 -1.527 2.418 1.00 0.00 H new ATOM 1627 N PHE A 101 13.037 -0.170 -0.933 1.00 0.00 N ATOM 1628 CA PHE A 101 13.457 0.472 -2.127 1.00 0.00 C ATOM 1629 C PHE A 101 14.950 0.676 -2.056 1.00 0.00 C ATOM 1630 O PHE A 101 15.535 0.570 -0.980 1.00 0.00 O ATOM 1631 CB PHE A 101 12.695 1.764 -2.361 1.00 0.00 C ATOM 1632 CG PHE A 101 11.263 1.534 -2.749 1.00 0.00 C ATOM 1633 CD1 PHE A 101 10.280 1.366 -1.790 1.00 0.00 C ATOM 1634 CD2 PHE A 101 10.906 1.476 -4.084 1.00 0.00 C ATOM 1635 CE1 PHE A 101 8.973 1.145 -2.156 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.600 1.257 -4.455 1.00 0.00 C ATOM 1637 CZ PHE A 101 8.632 1.091 -3.493 1.00 0.00 C ATOM 0 H PHE A 101 12.926 0.463 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 101 13.232 -0.155 -2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.728 2.369 -1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.191 2.336 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.542 1.409 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.662 1.604 -4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.214 1.014 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.335 1.215 -5.501 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.606 0.919 -3.783 1.00 0.00 H new ATOM 1647 N LYS A 102 15.543 0.946 -3.186 1.00 0.00 N ATOM 1648 CA LYS A 102 16.999 1.038 -3.356 1.00 0.00 C ATOM 1649 C LYS A 102 17.683 2.010 -2.375 1.00 0.00 C ATOM 1650 O LYS A 102 18.791 1.747 -1.907 1.00 0.00 O ATOM 1651 CB LYS A 102 17.290 1.441 -4.790 1.00 0.00 C ATOM 1652 CG LYS A 102 16.647 0.509 -5.811 1.00 0.00 C ATOM 1653 CD LYS A 102 15.911 1.292 -6.888 1.00 0.00 C ATOM 1654 CE LYS A 102 16.868 2.164 -7.711 1.00 0.00 C ATOM 1655 NZ LYS A 102 16.180 2.907 -8.791 1.00 0.00 N ATOM 0 H LYS A 102 15.027 1.116 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 102 17.417 0.057 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.931 2.457 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.369 1.454 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.414 -0.114 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.951 -0.162 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.390 0.600 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.152 1.922 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.367 2.872 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.643 1.534 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.873 3.479 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.725 2.234 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.458 3.531 -8.378 1.00 0.00 H new ATOM 1669 N THR A 103 17.033 3.103 -2.069 1.00 0.00 N ATOM 1670 CA THR A 103 17.575 4.104 -1.170 1.00 0.00 C ATOM 1671 C THR A 103 16.460 4.559 -0.258 1.00 0.00 C ATOM 1672 O THR A 103 15.286 4.370 -0.618 1.00 0.00 O ATOM 1673 CB THR A 103 18.053 5.337 -1.976 1.00 0.00 C ATOM 1674 OG1 THR A 103 16.956 5.846 -2.759 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.197 4.983 -2.899 1.00 0.00 C ATOM 0 H THR A 103 16.108 3.330 -2.435 1.00 0.00 H new ATOM 0 HA THR A 103 18.410 3.680 -0.612 1.00 0.00 H new ATOM 0 HB THR A 103 18.402 6.091 -1.270 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.288 6.522 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 103 19.508 5.871 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.035 4.608 -2.312 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.873 4.215 -3.602 1.00 0.00 H new ATOM 1683 N PRO A 104 16.757 5.191 0.923 1.00 0.00 N ATOM 1684 CA PRO A 104 15.719 5.767 1.783 1.00 0.00 C ATOM 1685 C PRO A 104 14.963 6.864 1.096 1.00 0.00 C ATOM 1686 O PRO A 104 14.055 7.316 1.567 1.00 0.00 O ATOM 1687 CB PRO A 104 16.460 6.383 2.950 1.00 0.00 C ATOM 1688 CG PRO A 104 17.782 5.707 2.972 1.00 0.00 C ATOM 1689 CD PRO A 104 18.096 5.335 1.534 1.00 0.00 C ATOM 0 HA PRO A 104 15.002 4.996 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.570 7.460 2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.922 6.226 3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.549 6.366 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 104 17.755 4.820 3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 104 18.684 6.107 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.668 4.409 1.473 1.00 0.00 H new ATOM 1697 N GLU A 105 15.425 7.297 0.020 1.00 0.00 N ATOM 1698 CA GLU A 105 14.763 8.313 -0.751 1.00 0.00 C ATOM 1699 C GLU A 105 13.522 7.695 -1.354 1.00 0.00 C ATOM 1700 O GLU A 105 12.415 8.198 -1.239 1.00 0.00 O ATOM 1701 CB GLU A 105 15.690 8.862 -1.834 1.00 0.00 C ATOM 1702 CG GLU A 105 15.116 10.022 -2.632 1.00 0.00 C ATOM 1703 CD GLU A 105 14.907 11.254 -1.791 1.00 0.00 C ATOM 1704 OE1 GLU A 105 15.871 11.999 -1.585 1.00 0.00 O ATOM 1705 OE2 GLU A 105 13.775 11.513 -1.340 1.00 0.00 O ATOM 0 H GLU A 105 16.298 6.967 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 105 14.489 9.155 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.621 9.185 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.942 8.055 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.788 10.259 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.165 9.721 -3.072 1.00 0.00 H new ATOM 1712 N LEU A 106 13.740 6.555 -1.953 1.00 0.00 N ATOM 1713 CA LEU A 106 12.727 5.825 -2.641 1.00 0.00 C ATOM 1714 C LEU A 106 11.854 5.184 -1.629 1.00 0.00 C ATOM 1715 O LEU A 106 10.618 5.297 -1.650 1.00 0.00 O ATOM 1716 CB LEU A 106 13.405 4.819 -3.547 1.00 0.00 C ATOM 1717 CG LEU A 106 14.385 5.415 -4.554 1.00 0.00 C ATOM 1718 CD1 LEU A 106 14.935 4.340 -5.430 1.00 0.00 C ATOM 1719 CD2 LEU A 106 13.746 6.521 -5.384 1.00 0.00 C ATOM 0 H LEU A 106 14.654 6.102 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 106 12.102 6.466 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.938 4.097 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.638 4.268 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 106 15.203 5.870 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 106 15.633 4.775 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.455 3.602 -4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.120 3.856 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.478 6.917 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.895 6.118 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.406 7.320 -4.725 1.00 0.00 H new ATOM 1731 N ALA A 107 12.527 4.593 -0.687 1.00 0.00 N ATOM 1732 CA ALA A 107 11.941 3.924 0.399 1.00 0.00 C ATOM 1733 C ALA A 107 11.166 4.903 1.257 1.00 0.00 C ATOM 1734 O ALA A 107 10.003 4.652 1.543 1.00 0.00 O ATOM 1735 CB ALA A 107 13.051 3.247 1.185 1.00 0.00 C ATOM 0 H ALA A 107 13.547 4.573 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 107 11.233 3.171 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 107 12.623 2.718 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.572 2.538 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 107 13.755 3.999 1.541 1.00 0.00 H new ATOM 1741 N GLU A 108 11.761 6.056 1.601 1.00 0.00 N ATOM 1742 CA GLU A 108 11.061 6.950 2.562 1.00 0.00 C ATOM 1743 C GLU A 108 9.851 7.611 1.963 1.00 0.00 C ATOM 1744 O GLU A 108 8.760 7.520 2.524 1.00 0.00 O ATOM 1745 CB GLU A 108 12.001 7.979 3.220 1.00 0.00 C ATOM 1746 CG GLU A 108 11.408 8.743 4.384 1.00 0.00 C ATOM 1747 CD GLU A 108 12.407 9.661 5.002 1.00 0.00 C ATOM 1748 OE1 GLU A 108 13.457 9.181 5.476 1.00 0.00 O ATOM 1749 OE2 GLU A 108 12.191 10.886 5.003 1.00 0.00 O ATOM 0 H GLU A 108 12.665 6.385 1.260 1.00 0.00 H new ATOM 0 HA GLU A 108 10.705 6.297 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.896 7.461 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 108 12.319 8.694 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.547 9.318 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.045 8.041 5.134 1.00 0.00 H new ATOM 1756 N GLU A 109 10.022 8.197 0.799 1.00 0.00 N ATOM 1757 CA GLU A 109 8.945 8.937 0.143 1.00 0.00 C ATOM 1758 C GLU A 109 7.737 8.063 -0.115 1.00 0.00 C ATOM 1759 O GLU A 109 6.592 8.503 0.064 1.00 0.00 O ATOM 1760 CB GLU A 109 9.414 9.579 -1.157 1.00 0.00 C ATOM 1761 CG GLU A 109 10.484 10.638 -0.974 1.00 0.00 C ATOM 1762 CD GLU A 109 10.077 11.706 -0.004 1.00 0.00 C ATOM 1763 OE1 GLU A 109 9.078 12.423 -0.272 1.00 0.00 O ATOM 1764 OE2 GLU A 109 10.732 11.845 1.053 1.00 0.00 O ATOM 0 H GLU A 109 10.898 8.180 0.278 1.00 0.00 H new ATOM 0 HA GLU A 109 8.651 9.730 0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 109 9.798 8.800 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 109 8.556 10.027 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.402 10.165 -0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 109 10.708 11.094 -1.938 1.00 0.00 H new ATOM 1771 N PHE A 110 7.991 6.825 -0.505 1.00 0.00 N ATOM 1772 CA PHE A 110 6.931 5.884 -0.756 1.00 0.00 C ATOM 1773 C PHE A 110 6.131 5.641 0.515 1.00 0.00 C ATOM 1774 O PHE A 110 4.917 5.768 0.532 1.00 0.00 O ATOM 1775 CB PHE A 110 7.519 4.566 -1.226 1.00 0.00 C ATOM 1776 CG PHE A 110 6.499 3.559 -1.678 1.00 0.00 C ATOM 1777 CD1 PHE A 110 6.018 3.578 -2.976 1.00 0.00 C ATOM 1778 CD2 PHE A 110 6.027 2.591 -0.806 1.00 0.00 C ATOM 1779 CE1 PHE A 110 5.089 2.652 -3.391 1.00 0.00 C ATOM 1780 CE2 PHE A 110 5.101 1.665 -1.215 1.00 0.00 C ATOM 1781 CZ PHE A 110 4.631 1.694 -2.507 1.00 0.00 C ATOM 0 H PHE A 110 8.930 6.454 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 110 6.275 6.295 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 110 8.208 4.762 -2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 110 8.105 4.133 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 110 6.375 4.326 -3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.393 2.565 0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.719 2.674 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.742 0.916 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.902 0.966 -2.832 1.00 0.00 H new ATOM 1791 N LYS A 111 6.832 5.329 1.581 1.00 0.00 N ATOM 1792 CA LYS A 111 6.178 4.951 2.843 1.00 0.00 C ATOM 1793 C LYS A 111 5.393 6.100 3.433 1.00 0.00 C ATOM 1794 O LYS A 111 4.282 5.906 3.929 1.00 0.00 O ATOM 1795 CB LYS A 111 7.195 4.437 3.846 1.00 0.00 C ATOM 1796 CG LYS A 111 8.075 3.353 3.281 1.00 0.00 C ATOM 1797 CD LYS A 111 7.306 2.130 2.844 1.00 0.00 C ATOM 1798 CE LYS A 111 8.187 1.218 2.009 1.00 0.00 C ATOM 1799 NZ LYS A 111 9.424 0.851 2.716 1.00 0.00 N ATOM 0 H LYS A 111 7.851 5.325 1.614 1.00 0.00 H new ATOM 0 HA LYS A 111 5.475 4.150 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 111 7.818 5.266 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 111 6.673 4.055 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 111 8.628 3.750 2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.810 3.063 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 111 6.940 1.591 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 111 6.432 2.430 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.634 0.314 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 111 8.438 1.715 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 9.725 -0.099 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.171 1.538 2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 9.252 0.854 3.742 1.00 0.00 H new ATOM 1813 N GLN A 112 5.970 7.281 3.365 1.00 0.00 N ATOM 1814 CA GLN A 112 5.343 8.501 3.867 1.00 0.00 C ATOM 1815 C GLN A 112 4.058 8.773 3.179 1.00 0.00 C ATOM 1816 O GLN A 112 3.036 8.986 3.812 1.00 0.00 O ATOM 1817 CB GLN A 112 6.199 9.657 3.534 1.00 0.00 C ATOM 1818 CG GLN A 112 7.542 9.722 4.241 1.00 0.00 C ATOM 1819 CD GLN A 112 7.426 9.856 5.750 1.00 0.00 C ATOM 1820 OE1 GLN A 112 6.497 9.359 6.381 1.00 0.00 O ATOM 1821 NE2 GLN A 112 8.345 10.551 6.336 1.00 0.00 N ATOM 0 H GLN A 112 6.893 7.430 2.958 1.00 0.00 H new ATOM 0 HA GLN A 112 5.195 8.365 4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.378 9.653 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.647 10.569 3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.111 8.822 4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.108 10.568 3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.106 10.953 5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.309 10.697 7.345 1.00 0.00 H new ATOM 1830 N LYS A 113 4.116 8.756 1.859 1.00 0.00 N ATOM 1831 CA LYS A 113 2.980 9.076 1.052 1.00 0.00 C ATOM 1832 C LYS A 113 1.931 8.060 1.314 1.00 0.00 C ATOM 1833 O LYS A 113 0.760 8.356 1.361 1.00 0.00 O ATOM 1834 CB LYS A 113 3.350 9.011 -0.419 1.00 0.00 C ATOM 1835 CG LYS A 113 2.507 9.919 -1.313 1.00 0.00 C ATOM 1836 CD LYS A 113 2.831 11.386 -1.048 1.00 0.00 C ATOM 1837 CE LYS A 113 1.979 12.332 -1.875 1.00 0.00 C ATOM 1838 NZ LYS A 113 0.567 12.324 -1.474 1.00 0.00 N ATOM 0 H LYS A 113 4.955 8.519 1.329 1.00 0.00 H new ATOM 0 HA LYS A 113 2.630 10.080 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 113 4.400 9.281 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.247 7.982 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.695 9.683 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.448 9.736 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.683 11.601 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.884 11.567 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 113 2.373 13.344 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 113 2.055 12.056 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.094 13.169 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 0.105 11.471 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 0.501 12.327 -0.436 1.00 0.00 H new ATOM 1852 N PHE A 114 2.381 6.866 1.499 1.00 0.00 N ATOM 1853 CA PHE A 114 1.473 5.746 1.709 1.00 0.00 C ATOM 1854 C PHE A 114 0.730 5.649 3.043 1.00 0.00 C ATOM 1855 O PHE A 114 -0.473 5.420 3.041 1.00 0.00 O ATOM 1856 CB PHE A 114 1.898 4.436 1.074 1.00 0.00 C ATOM 1857 CG PHE A 114 1.656 4.486 -0.411 1.00 0.00 C ATOM 1858 CD1 PHE A 114 0.396 4.210 -0.916 1.00 0.00 C ATOM 1859 CD2 PHE A 114 2.654 4.861 -1.291 1.00 0.00 C ATOM 1860 CE1 PHE A 114 0.141 4.297 -2.266 1.00 0.00 C ATOM 1861 CE2 PHE A 114 2.404 4.958 -2.644 1.00 0.00 C ATOM 1862 CZ PHE A 114 1.147 4.676 -3.132 1.00 0.00 C ATOM 0 H PHE A 114 3.371 6.621 1.512 1.00 0.00 H new ATOM 0 HA PHE A 114 0.635 6.064 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 114 2.953 4.250 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 114 1.340 3.610 1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -0.397 3.923 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.642 5.081 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -0.844 4.069 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 114 3.193 5.255 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.949 4.751 -4.191 1.00 0.00 H new ATOM 1872 N GLU A 115 1.403 5.830 4.169 1.00 0.00 N ATOM 1873 CA GLU A 115 0.687 5.895 5.460 1.00 0.00 C ATOM 1874 C GLU A 115 -0.178 7.165 5.487 1.00 0.00 C ATOM 1875 O GLU A 115 -1.248 7.209 6.127 1.00 0.00 O ATOM 1876 CB GLU A 115 1.655 5.743 6.671 1.00 0.00 C ATOM 1877 CG GLU A 115 2.872 6.679 6.738 1.00 0.00 C ATOM 1878 CD GLU A 115 2.551 8.085 7.167 1.00 0.00 C ATOM 1879 OE1 GLU A 115 1.725 8.259 8.072 1.00 0.00 O ATOM 1880 OE2 GLU A 115 3.167 9.022 6.680 1.00 0.00 O ATOM 0 H GLU A 115 2.416 5.933 4.230 1.00 0.00 H new ATOM 0 HA GLU A 115 0.012 5.044 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.075 5.883 7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.021 4.716 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.601 6.258 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.345 6.711 5.757 1.00 0.00 H new ATOM 1887 N GLU A 116 0.290 8.198 4.766 1.00 0.00 N ATOM 1888 CA GLU A 116 -0.492 9.371 4.507 1.00 0.00 C ATOM 1889 C GLU A 116 -1.755 8.993 3.758 1.00 0.00 C ATOM 1890 O GLU A 116 -2.828 9.347 4.184 1.00 0.00 O ATOM 1891 CB GLU A 116 0.304 10.435 3.745 1.00 0.00 C ATOM 1892 CG GLU A 116 -0.530 11.584 3.175 1.00 0.00 C ATOM 1893 CD GLU A 116 0.321 12.600 2.463 1.00 0.00 C ATOM 1894 OE1 GLU A 116 0.931 13.458 3.127 1.00 0.00 O ATOM 1895 OE2 GLU A 116 0.420 12.543 1.210 1.00 0.00 O ATOM 0 H GLU A 116 1.224 8.222 4.356 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.767 9.812 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.058 10.851 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.836 9.951 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -1.272 11.185 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.076 12.071 3.983 1.00 0.00 H new ATOM 1902 N CYS A 117 -1.623 8.203 2.680 1.00 0.00 N ATOM 1903 CA CYS A 117 -2.705 7.760 1.927 1.00 0.00 C ATOM 1904 C CYS A 117 -3.658 6.978 2.764 1.00 0.00 C ATOM 1905 O CYS A 117 -4.845 7.076 2.560 1.00 0.00 O ATOM 1906 CB CYS A 117 -2.237 6.922 0.799 1.00 0.00 C ATOM 1907 SG CYS A 117 -1.331 7.770 -0.511 1.00 0.00 S ATOM 0 H CYS A 117 -0.721 7.872 2.337 1.00 0.00 H new ATOM 0 HA CYS A 117 -3.222 8.638 1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -1.599 6.135 1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -3.104 6.434 0.354 1.00 0.00 H new ATOM 0 HG CYS A 117 -0.277 8.342 -0.010 1.00 0.00 H new ATOM 1913 N GLN A 118 -3.149 6.218 3.739 1.00 0.00 N ATOM 1914 CA GLN A 118 -4.038 5.447 4.566 1.00 0.00 C ATOM 1915 C GLN A 118 -5.003 6.390 5.255 1.00 0.00 C ATOM 1916 O GLN A 118 -6.194 6.243 5.134 1.00 0.00 O ATOM 1917 CB GLN A 118 -3.244 4.664 5.643 1.00 0.00 C ATOM 1918 CG GLN A 118 -2.273 3.645 5.113 1.00 0.00 C ATOM 1919 CD GLN A 118 -1.452 2.966 6.202 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -0.316 2.575 5.978 1.00 0.00 O ATOM 1921 NE2 GLN A 118 -2.020 2.815 7.373 1.00 0.00 N ATOM 0 H GLN A 118 -2.157 6.131 3.959 1.00 0.00 H new ATOM 0 HA GLN A 118 -4.576 4.735 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.696 5.378 6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.954 4.159 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.823 2.886 4.556 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.597 4.130 4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.970 3.153 7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.512 2.359 8.131 1.00 0.00 H new ATOM 1930 N ARG A 119 -4.476 7.395 5.912 1.00 0.00 N ATOM 1931 CA ARG A 119 -5.310 8.361 6.590 1.00 0.00 C ATOM 1932 C ARG A 119 -6.047 9.335 5.705 1.00 0.00 C ATOM 1933 O ARG A 119 -7.215 9.649 5.895 1.00 0.00 O ATOM 1934 CB ARG A 119 -4.601 9.031 7.768 1.00 0.00 C ATOM 1935 CG ARG A 119 -4.501 8.142 8.997 1.00 0.00 C ATOM 1936 CD ARG A 119 -3.555 6.961 8.849 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.140 7.340 8.866 1.00 0.00 N ATOM 1938 CZ ARG A 119 -1.309 7.062 9.881 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -1.751 6.393 10.943 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -0.041 7.413 9.829 1.00 0.00 N ATOM 0 H ARG A 119 -3.474 7.566 5.992 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.115 7.755 7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -3.598 9.325 7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.134 9.944 8.032 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.175 8.748 9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.495 7.766 9.239 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.743 6.252 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.774 6.445 7.914 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.766 7.843 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.724 6.090 10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -1.117 6.183 11.714 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.320 7.902 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.581 7.196 10.608 1.00 0.00 H new ATOM 1954 N LEU A 120 -5.335 9.846 4.843 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.765 10.896 3.966 1.00 0.00 C ATOM 1956 C LEU A 120 -6.663 10.508 2.793 1.00 0.00 C ATOM 1957 O LEU A 120 -7.751 11.040 2.682 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.620 11.880 3.610 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.217 12.905 4.700 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -3.532 12.252 5.895 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.353 14.007 4.112 1.00 0.00 C ATOM 0 H LEU A 120 -4.370 9.558 4.683 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.477 11.452 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.738 11.295 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.911 12.431 2.716 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.140 13.348 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.272 13.016 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.207 11.528 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.626 11.744 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.083 14.715 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.448 13.572 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.908 14.526 3.330 1.00 0.00 H new ATOM 1973 N LEU A 121 -6.300 9.441 2.069 1.00 0.00 N ATOM 1974 CA LEU A 121 -6.936 9.027 0.761 1.00 0.00 C ATOM 1975 C LEU A 121 -8.417 8.708 0.913 1.00 0.00 C ATOM 1976 O LEU A 121 -9.189 8.693 -0.034 1.00 0.00 O ATOM 1977 CB LEU A 121 -6.151 7.884 0.068 1.00 0.00 C ATOM 1978 CG LEU A 121 -5.614 8.163 -1.353 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -6.735 8.490 -2.318 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -4.572 9.277 -1.342 1.00 0.00 C ATOM 0 H LEU A 121 -5.548 8.816 2.359 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.877 9.890 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.306 7.620 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.799 7.009 0.019 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.131 7.249 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.319 8.680 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.427 7.649 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.267 9.376 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.213 9.450 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.021 10.192 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.736 8.987 -0.706 1.00 0.00 H new ATOM 1992 N LEU A 122 -8.759 8.487 2.110 1.00 0.00 N ATOM 1993 CA LEU A 122 -10.039 8.059 2.563 1.00 0.00 C ATOM 1994 C LEU A 122 -11.190 9.027 2.284 1.00 0.00 C ATOM 1995 O LEU A 122 -12.278 8.606 1.882 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.891 8.151 4.032 1.00 0.00 C ATOM 1997 CG LEU A 122 -9.069 7.072 4.748 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -9.152 7.260 6.253 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -9.535 5.668 4.369 1.00 0.00 C ATOM 0 H LEU A 122 -8.102 8.607 2.880 1.00 0.00 H new ATOM 0 HA LEU A 122 -10.275 7.105 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -9.443 9.118 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.890 8.152 4.468 1.00 0.00 H new ATOM 0 HG LEU A 122 -8.032 7.179 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.564 6.488 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.760 8.242 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -10.192 7.186 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.930 4.929 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.582 5.545 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.426 5.526 3.294 1.00 0.00 H new