USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 739 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 85 HIS : no HE2:sc= -0.0145 K(o=0.34,f=-3.4!) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 6 SER OG : rot 35:sc= 0.0565 USER MOD Single : A 8 THR OG1 : rot 170:sc= 0.102 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.56) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.371 K(o=-0.37,f=-8.4!) USER MOD Single : A 31 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.24) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -93:sc= 1.31 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 59 THR OG1 : rot 35:sc= 0.159 USER MOD Single : A 60 HIS : no HE2:sc= -0.806 K(o=-0.81,f=-7.5!) USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.832) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 1.09 (180deg=0.958) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc=-0.00851 X(o=-0.0085,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.364 K(o=0.36,f=-0.69) USER MOD Single : A 70 THR OG1 : rot 2:sc= 0.194 USER MOD Single : A 74 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.028) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 147:sc=-0.00774 (180deg=-1.32!) USER MOD Single : A 90 TYR OH : rot -166:sc= 1.25 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.125 X(o=0.12,f=-0.045) USER MOD Single : A 102 GLN : amide:sc= 1.12 K(o=1.1,f=-1.2) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 167:sc= 0.194 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -7.973 -12.913 -12.163 1.00 72.32 N ATOM 64 CA SER A 6 -7.732 -12.847 -10.729 1.00 1.35 C ATOM 65 C SER A 6 -7.067 -14.083 -10.120 1.00 43.02 C ATOM 66 O SER A 6 -7.089 -14.302 -8.912 1.00 4.21 O ATOM 67 CB SER A 6 -8.986 -12.393 -9.965 1.00 42.02 C ATOM 68 OG SER A 6 -9.440 -11.128 -10.413 1.00 4.35 O ATOM 0 HA SER A 6 -6.974 -12.074 -10.604 1.00 1.35 H new ATOM 0 HB2 SER A 6 -9.778 -13.131 -10.093 1.00 42.02 H new ATOM 0 HB3 SER A 6 -8.765 -12.344 -8.899 1.00 42.02 H new ATOM 0 HG SER A 6 -9.276 -11.044 -11.375 1.00 4.35 H new ATOM 73 N ASP A 7 -6.418 -14.866 -10.970 1.00 20.15 N ATOM 74 CA ASP A 7 -5.777 -16.144 -10.677 1.00 21.31 C ATOM 75 C ASP A 7 -4.305 -15.975 -10.261 1.00 44.40 C ATOM 76 O ASP A 7 -3.452 -16.832 -10.489 1.00 52.42 O ATOM 77 CB ASP A 7 -5.928 -16.973 -11.949 1.00 23.43 C ATOM 78 CG ASP A 7 -7.314 -17.618 -12.055 1.00 74.23 C ATOM 79 OD1 ASP A 7 -7.832 -18.145 -11.041 1.00 43.30 O ATOM 80 OD2 ASP A 7 -7.933 -17.540 -13.139 1.00 71.30 O ATOM 0 H ASP A 7 -6.317 -14.609 -11.952 1.00 20.15 H new ATOM 0 HA ASP A 7 -6.244 -16.637 -9.824 1.00 21.31 H new ATOM 0 HB2 ASP A 7 -5.757 -16.338 -12.818 1.00 23.43 H new ATOM 0 HB3 ASP A 7 -5.164 -17.751 -11.967 1.00 23.43 H new ATOM 84 N THR A 8 -3.974 -14.807 -9.731 1.00 31.23 N ATOM 85 CA THR A 8 -2.719 -14.453 -9.065 1.00 1.05 C ATOM 86 C THR A 8 -2.429 -15.380 -7.859 1.00 20.31 C ATOM 87 O THR A 8 -3.344 -16.036 -7.353 1.00 72.42 O ATOM 88 CB THR A 8 -2.807 -12.958 -8.671 1.00 12.32 C ATOM 89 OG1 THR A 8 -4.133 -12.552 -8.357 1.00 44.41 O ATOM 90 CG2 THR A 8 -2.363 -12.075 -9.839 1.00 73.31 C ATOM 0 H THR A 8 -4.621 -14.019 -9.755 1.00 31.23 H new ATOM 0 HA THR A 8 -1.874 -14.598 -9.738 1.00 1.05 H new ATOM 0 HB THR A 8 -2.165 -12.845 -7.797 1.00 12.32 H new ATOM 0 HG1 THR A 8 -4.116 -11.655 -7.962 1.00 44.41 H new ATOM 0 HG21 THR A 8 -2.430 -11.027 -9.548 1.00 73.31 H new ATOM 0 HG22 THR A 8 -1.333 -12.313 -10.104 1.00 73.31 H new ATOM 0 HG23 THR A 8 -3.010 -12.255 -10.698 1.00 73.31 H new ATOM 98 N PRO A 9 -1.175 -15.432 -7.370 1.00 64.14 N ATOM 99 CA PRO A 9 -0.796 -16.207 -6.187 1.00 51.03 C ATOM 100 C PRO A 9 -1.431 -15.661 -4.896 1.00 0.23 C ATOM 101 O PRO A 9 -2.229 -14.716 -4.909 1.00 31.43 O ATOM 102 CB PRO A 9 0.737 -16.257 -6.197 1.00 34.11 C ATOM 103 CG PRO A 9 1.159 -15.047 -7.024 1.00 51.11 C ATOM 104 CD PRO A 9 -0.006 -14.806 -7.974 1.00 62.10 C ATOM 0 HA PRO A 9 -1.188 -17.224 -6.216 1.00 51.03 H new ATOM 0 HB2 PRO A 9 1.141 -16.206 -5.186 1.00 34.11 H new ATOM 0 HB3 PRO A 9 1.100 -17.185 -6.639 1.00 34.11 H new ATOM 0 HG2 PRO A 9 1.341 -14.178 -6.391 1.00 51.11 H new ATOM 0 HG3 PRO A 9 2.082 -15.242 -7.570 1.00 51.11 H new ATOM 0 HD2 PRO A 9 -0.171 -13.739 -8.121 1.00 62.10 H new ATOM 0 HD3 PRO A 9 0.199 -15.235 -8.955 1.00 62.10 H new ATOM 109 N LYS A 10 -1.113 -16.305 -3.768 1.00 0.33 N ATOM 110 CA LYS A 10 -1.793 -16.193 -2.473 1.00 52.14 C ATOM 111 C LYS A 10 -0.781 -15.930 -1.364 1.00 4.32 C ATOM 112 O LYS A 10 0.187 -16.680 -1.243 1.00 64.51 O ATOM 113 CB LYS A 10 -2.555 -17.505 -2.251 1.00 32.43 C ATOM 114 CG LYS A 10 -3.932 -17.412 -2.947 1.00 3.44 C ATOM 115 CD LYS A 10 -4.298 -18.681 -3.716 1.00 40.44 C ATOM 116 CE LYS A 10 -4.869 -19.727 -2.762 1.00 12.24 C ATOM 117 NZ LYS A 10 -4.871 -21.112 -3.274 1.00 20.43 N ATOM 0 H LYS A 10 -0.329 -16.956 -3.732 1.00 0.33 H new ATOM 0 HA LYS A 10 -2.489 -15.354 -2.462 1.00 52.14 H new ATOM 0 HB2 LYS A 10 -1.986 -18.343 -2.653 1.00 32.43 H new ATOM 0 HB3 LYS A 10 -2.684 -17.689 -1.185 1.00 32.43 H new ATOM 0 HG2 LYS A 10 -4.699 -17.213 -2.198 1.00 3.44 H new ATOM 0 HG3 LYS A 10 -3.930 -16.565 -3.634 1.00 3.44 H new ATOM 0 HD2 LYS A 10 -5.028 -18.448 -4.491 1.00 40.44 H new ATOM 0 HD3 LYS A 10 -3.416 -19.078 -4.218 1.00 40.44 H new ATOM 0 HE2 LYS A 10 -4.297 -19.700 -1.835 1.00 12.24 H new ATOM 0 HE3 LYS A 10 -5.893 -19.448 -2.513 1.00 12.24 H new ATOM 0 HZ1 LYS A 10 -5.276 -21.747 -2.557 1.00 20.43 H new ATOM 0 HZ2 LYS A 10 -5.442 -21.161 -4.142 1.00 20.43 H new ATOM 0 HZ3 LYS A 10 -3.896 -21.406 -3.485 1.00 20.43 H new ATOM 127 N VAL A 11 -0.941 -14.839 -0.613 1.00 51.02 N ATOM 128 CA VAL A 11 0.073 -14.347 0.322 1.00 35.12 C ATOM 129 C VAL A 11 0.291 -15.374 1.440 1.00 11.25 C ATOM 130 O VAL A 11 -0.673 -15.779 2.101 1.00 51.44 O ATOM 131 CB VAL A 11 -0.358 -12.972 0.877 1.00 63.34 C ATOM 132 CG1 VAL A 11 0.650 -12.396 1.882 1.00 74.11 C ATOM 133 CG2 VAL A 11 -0.543 -11.931 -0.238 1.00 61.51 C ATOM 0 H VAL A 11 -1.785 -14.267 -0.637 1.00 51.02 H new ATOM 0 HA VAL A 11 1.024 -14.215 -0.194 1.00 35.12 H new ATOM 0 HB VAL A 11 -1.307 -13.161 1.378 1.00 63.34 H new ATOM 0 HG11 VAL A 11 0.296 -11.429 2.239 1.00 74.11 H new ATOM 0 HG12 VAL A 11 0.753 -13.079 2.725 1.00 74.11 H new ATOM 0 HG13 VAL A 11 1.618 -12.271 1.396 1.00 74.11 H new ATOM 0 HG21 VAL A 11 -0.846 -10.980 0.199 1.00 61.51 H new ATOM 0 HG22 VAL A 11 0.397 -11.801 -0.774 1.00 61.51 H new ATOM 0 HG23 VAL A 11 -1.311 -12.273 -0.931 1.00 61.51 H new ATOM 143 N THR A 12 1.530 -15.792 1.683 1.00 73.30 N ATOM 144 CA THR A 12 1.883 -16.757 2.721 1.00 31.22 C ATOM 145 C THR A 12 2.529 -16.114 3.949 1.00 52.12 C ATOM 146 O THR A 12 2.400 -16.656 5.045 1.00 21.22 O ATOM 147 CB THR A 12 2.798 -17.820 2.112 1.00 60.22 C ATOM 148 OG1 THR A 12 3.793 -17.222 1.295 1.00 2.25 O ATOM 149 CG2 THR A 12 1.965 -18.775 1.261 1.00 14.41 C ATOM 0 H THR A 12 2.336 -15.462 1.152 1.00 73.30 H new ATOM 0 HA THR A 12 0.962 -17.213 3.083 1.00 31.22 H new ATOM 0 HB THR A 12 3.287 -18.361 2.922 1.00 60.22 H new ATOM 0 HG1 THR A 12 4.368 -17.919 0.917 1.00 2.25 H new ATOM 0 HG21 THR A 12 2.614 -19.534 0.825 1.00 14.41 H new ATOM 0 HG22 THR A 12 1.212 -19.256 1.885 1.00 14.41 H new ATOM 0 HG23 THR A 12 1.473 -18.217 0.464 1.00 14.41 H new ATOM 157 N GLY A 13 3.170 -14.953 3.802 1.00 72.54 N ATOM 158 CA GLY A 13 3.839 -14.271 4.893 1.00 54.43 C ATOM 159 C GLY A 13 3.737 -12.768 4.687 1.00 22.23 C ATOM 160 O GLY A 13 3.690 -12.292 3.548 1.00 20.42 O ATOM 0 H GLY A 13 3.235 -14.461 2.911 1.00 72.54 H new ATOM 0 HA2 GLY A 13 3.385 -14.550 5.844 1.00 54.43 H new ATOM 0 HA3 GLY A 13 4.885 -14.573 4.938 1.00 54.43 H new ATOM 164 N LEU A 14 3.677 -12.041 5.803 1.00 32.51 N ATOM 165 CA LEU A 14 3.589 -10.593 5.895 1.00 61.51 C ATOM 166 C LEU A 14 4.491 -10.197 7.058 1.00 55.25 C ATOM 167 O LEU A 14 4.273 -10.674 8.174 1.00 53.14 O ATOM 168 CB LEU A 14 2.131 -10.162 6.151 1.00 64.35 C ATOM 169 CG LEU A 14 1.299 -10.077 4.857 1.00 63.51 C ATOM 170 CD1 LEU A 14 -0.199 -10.159 5.162 1.00 61.31 C ATOM 171 CD2 LEU A 14 1.574 -8.771 4.111 1.00 72.21 C ATOM 0 H LEU A 14 3.690 -12.481 6.723 1.00 32.51 H new ATOM 0 HA LEU A 14 3.902 -10.106 4.972 1.00 61.51 H new ATOM 0 HB2 LEU A 14 1.662 -10.870 6.834 1.00 64.35 H new ATOM 0 HB3 LEU A 14 2.125 -9.191 6.646 1.00 64.35 H new ATOM 0 HG LEU A 14 1.592 -10.921 4.233 1.00 63.51 H new ATOM 0 HD11 LEU A 14 -0.764 -10.097 4.232 1.00 61.31 H new ATOM 0 HD12 LEU A 14 -0.418 -11.105 5.657 1.00 61.31 H new ATOM 0 HD13 LEU A 14 -0.483 -9.334 5.815 1.00 61.31 H new ATOM 0 HD21 LEU A 14 0.974 -8.738 3.202 1.00 72.21 H new ATOM 0 HD22 LEU A 14 1.314 -7.926 4.749 1.00 72.21 H new ATOM 0 HD23 LEU A 14 2.631 -8.717 3.850 1.00 72.21 H new ATOM 182 N LYS A 15 5.509 -9.372 6.817 1.00 63.13 N ATOM 183 CA LYS A 15 6.500 -8.967 7.815 1.00 60.34 C ATOM 184 C LYS A 15 6.543 -7.452 7.842 1.00 44.11 C ATOM 185 O LYS A 15 6.923 -6.807 6.868 1.00 42.13 O ATOM 186 CB LYS A 15 7.880 -9.597 7.513 1.00 55.11 C ATOM 187 CG LYS A 15 8.376 -10.535 8.625 1.00 61.32 C ATOM 188 CD LYS A 15 7.597 -11.858 8.728 1.00 20.21 C ATOM 189 CE LYS A 15 7.068 -12.096 10.144 1.00 51.02 C ATOM 190 NZ LYS A 15 6.379 -13.398 10.274 1.00 32.51 N ATOM 0 H LYS A 15 5.672 -8.956 5.900 1.00 63.13 H new ATOM 0 HA LYS A 15 6.220 -9.330 8.804 1.00 60.34 H new ATOM 0 HB2 LYS A 15 7.821 -10.153 6.577 1.00 55.11 H new ATOM 0 HB3 LYS A 15 8.610 -8.802 7.365 1.00 55.11 H new ATOM 0 HG2 LYS A 15 9.429 -10.759 8.453 1.00 61.32 H new ATOM 0 HG3 LYS A 15 8.312 -10.014 9.580 1.00 61.32 H new ATOM 0 HD2 LYS A 15 6.763 -11.845 8.026 1.00 20.21 H new ATOM 0 HD3 LYS A 15 8.245 -12.685 8.438 1.00 20.21 H new ATOM 0 HE2 LYS A 15 7.897 -12.054 10.851 1.00 51.02 H new ATOM 0 HE3 LYS A 15 6.379 -11.295 10.412 1.00 51.02 H new ATOM 0 HZ1 LYS A 15 6.038 -13.515 11.250 1.00 32.51 H new ATOM 0 HZ2 LYS A 15 5.572 -13.430 9.619 1.00 32.51 H new ATOM 0 HZ3 LYS A 15 7.042 -14.166 10.045 1.00 32.51 H new ATOM 200 N LEU A 16 6.087 -6.863 8.943 1.00 23.11 N ATOM 201 CA LEU A 16 6.134 -5.415 9.110 1.00 63.42 C ATOM 202 C LEU A 16 7.532 -4.981 9.524 1.00 44.15 C ATOM 203 O LEU A 16 8.340 -5.810 9.956 1.00 14.24 O ATOM 204 CB LEU A 16 5.074 -4.975 10.135 1.00 62.55 C ATOM 205 CG LEU A 16 3.735 -4.604 9.499 1.00 23.33 C ATOM 206 CD1 LEU A 16 3.821 -3.260 8.791 1.00 2.43 C ATOM 207 CD2 LEU A 16 3.231 -5.692 8.542 1.00 15.22 C ATOM 0 H LEU A 16 5.681 -7.366 9.732 1.00 23.11 H new ATOM 0 HA LEU A 16 5.906 -4.929 8.161 1.00 63.42 H new ATOM 0 HB2 LEU A 16 4.917 -5.780 10.853 1.00 62.55 H new ATOM 0 HB3 LEU A 16 5.452 -4.119 10.694 1.00 62.55 H new ATOM 0 HG LEU A 16 3.009 -4.522 10.308 1.00 23.33 H new ATOM 0 HD11 LEU A 16 2.855 -3.020 8.347 1.00 2.43 H new ATOM 0 HD12 LEU A 16 4.092 -2.487 9.510 1.00 2.43 H new ATOM 0 HD13 LEU A 16 4.578 -3.309 8.008 1.00 2.43 H new ATOM 0 HD21 LEU A 16 2.277 -5.386 8.113 1.00 15.22 H new ATOM 0 HD22 LEU A 16 3.958 -5.839 7.743 1.00 15.22 H new ATOM 0 HD23 LEU A 16 3.100 -6.626 9.089 1.00 15.22 H new ATOM 218 N LYS A 17 7.810 -3.680 9.411 1.00 31.23 N ATOM 219 CA LYS A 17 9.025 -3.036 9.910 1.00 33.24 C ATOM 220 C LYS A 17 8.743 -1.571 10.240 1.00 0.12 C ATOM 221 O LYS A 17 9.006 -0.686 9.422 1.00 12.14 O ATOM 222 CB LYS A 17 10.184 -3.182 8.901 1.00 41.03 C ATOM 223 CG LYS A 17 9.862 -2.639 7.498 1.00 12.00 C ATOM 224 CD LYS A 17 9.884 -3.708 6.409 1.00 54.02 C ATOM 225 CE LYS A 17 11.295 -3.811 5.829 1.00 75.13 C ATOM 226 NZ LYS A 17 12.171 -4.678 6.636 1.00 23.10 N ATOM 0 H LYS A 17 7.174 -3.026 8.955 1.00 31.23 H new ATOM 0 HA LYS A 17 9.336 -3.535 10.827 1.00 33.24 H new ATOM 0 HB2 LYS A 17 11.059 -2.661 9.290 1.00 41.03 H new ATOM 0 HB3 LYS A 17 10.451 -4.236 8.820 1.00 41.03 H new ATOM 0 HG2 LYS A 17 8.878 -2.171 7.516 1.00 12.00 H new ATOM 0 HG3 LYS A 17 10.581 -1.860 7.245 1.00 12.00 H new ATOM 0 HD2 LYS A 17 9.577 -4.669 6.821 1.00 54.02 H new ATOM 0 HD3 LYS A 17 9.173 -3.457 5.622 1.00 54.02 H new ATOM 0 HE2 LYS A 17 11.240 -4.200 4.812 1.00 75.13 H new ATOM 0 HE3 LYS A 17 11.733 -2.815 5.766 1.00 75.13 H new ATOM 0 HZ1 LYS A 17 13.116 -4.716 6.203 1.00 23.10 H new ATOM 0 HZ2 LYS A 17 12.247 -4.294 7.600 1.00 23.10 H new ATOM 0 HZ3 LYS A 17 11.769 -5.637 6.676 1.00 23.10 H new ATOM 236 N ARG A 18 8.274 -1.275 11.458 1.00 0.42 N ATOM 237 CA ARG A 18 8.057 0.120 11.871 1.00 14.34 C ATOM 238 C ARG A 18 9.318 0.977 11.706 1.00 13.13 C ATOM 239 O ARG A 18 9.212 2.172 11.454 1.00 0.30 O ATOM 240 CB ARG A 18 7.483 0.187 13.300 1.00 13.33 C ATOM 241 CG ARG A 18 8.494 -0.186 14.395 1.00 54.03 C ATOM 242 CD ARG A 18 7.824 -0.865 15.592 1.00 71.51 C ATOM 243 NE ARG A 18 6.936 0.021 16.346 1.00 70.31 N ATOM 244 CZ ARG A 18 6.020 -0.372 17.234 1.00 22.40 C ATOM 245 NH1 ARG A 18 5.785 -1.663 17.448 1.00 25.41 N ATOM 246 NH2 ARG A 18 5.344 0.533 17.917 1.00 34.11 N ATOM 0 H ARG A 18 8.040 -1.970 12.167 1.00 0.42 H new ATOM 0 HA ARG A 18 7.313 0.551 11.200 1.00 14.34 H new ATOM 0 HB2 ARG A 18 7.116 1.196 13.487 1.00 13.33 H new ATOM 0 HB3 ARG A 18 6.625 -0.482 13.368 1.00 13.33 H new ATOM 0 HG2 ARG A 18 9.250 -0.851 13.978 1.00 54.03 H new ATOM 0 HG3 ARG A 18 9.011 0.713 14.731 1.00 54.03 H new ATOM 0 HD2 ARG A 18 7.253 -1.724 15.239 1.00 71.51 H new ATOM 0 HD3 ARG A 18 8.595 -1.248 16.261 1.00 71.51 H new ATOM 0 HE ARG A 18 7.024 1.023 16.179 1.00 70.31 H new ATOM 0 HH11 ARG A 18 6.308 -2.369 16.930 1.00 25.41 H new ATOM 0 HH12 ARG A 18 5.082 -1.947 18.130 1.00 25.41 H new ATOM 0 HH21 ARG A 18 5.523 1.526 17.765 1.00 34.11 H new ATOM 0 HH22 ARG A 18 4.643 0.240 18.597 1.00 34.11 H new ATOM 257 N LYS A 19 10.500 0.351 11.755 1.00 20.22 N ATOM 258 CA LYS A 19 11.805 0.957 11.514 1.00 12.13 C ATOM 259 C LYS A 19 11.953 1.630 10.147 1.00 33.10 C ATOM 260 O LYS A 19 12.823 2.486 10.017 1.00 34.21 O ATOM 261 CB LYS A 19 12.894 -0.121 11.684 1.00 34.22 C ATOM 262 CG LYS A 19 13.482 -0.154 13.106 1.00 43.11 C ATOM 263 CD LYS A 19 13.297 -1.446 13.908 1.00 12.13 C ATOM 264 CE LYS A 19 11.824 -1.633 14.257 1.00 72.42 C ATOM 265 NZ LYS A 19 11.616 -2.560 15.386 1.00 25.53 N ATOM 0 H LYS A 19 10.570 -0.642 11.975 1.00 20.22 H new ATOM 0 HA LYS A 19 11.913 1.757 12.246 1.00 12.13 H new ATOM 0 HB2 LYS A 19 12.472 -1.098 11.447 1.00 34.22 H new ATOM 0 HB3 LYS A 19 13.695 0.062 10.968 1.00 34.22 H new ATOM 0 HG2 LYS A 19 14.550 0.050 13.035 1.00 43.11 H new ATOM 0 HG3 LYS A 19 13.038 0.663 13.674 1.00 43.11 H new ATOM 0 HD2 LYS A 19 13.654 -2.298 13.329 1.00 12.13 H new ATOM 0 HD3 LYS A 19 13.894 -1.407 14.819 1.00 12.13 H new ATOM 0 HE2 LYS A 19 11.388 -0.665 14.503 1.00 72.42 H new ATOM 0 HE3 LYS A 19 11.293 -2.009 13.382 1.00 72.42 H new ATOM 0 HZ1 LYS A 19 10.598 -2.649 15.579 1.00 25.53 H new ATOM 0 HZ2 LYS A 19 12.006 -3.494 15.145 1.00 25.53 H new ATOM 0 HZ3 LYS A 19 12.098 -2.192 16.231 1.00 25.53 H new ATOM 275 N SER A 20 11.158 1.269 9.140 1.00 2.13 N ATOM 276 CA SER A 20 11.152 1.951 7.842 1.00 61.43 C ATOM 277 C SER A 20 9.719 2.259 7.392 1.00 71.14 C ATOM 278 O SER A 20 9.480 2.615 6.240 1.00 11.43 O ATOM 279 CB SER A 20 11.953 1.146 6.797 1.00 40.23 C ATOM 280 OG SER A 20 13.079 0.508 7.389 1.00 15.20 O ATOM 0 H SER A 20 10.498 0.494 9.200 1.00 2.13 H new ATOM 0 HA SER A 20 11.655 2.912 7.946 1.00 61.43 H new ATOM 0 HB2 SER A 20 11.307 0.397 6.339 1.00 40.23 H new ATOM 0 HB3 SER A 20 12.286 1.811 6.000 1.00 40.23 H new ATOM 0 HG SER A 20 13.567 0.004 6.704 1.00 15.20 H new ATOM 285 N ARG A 21 8.741 2.053 8.292 1.00 64.41 N ATOM 286 CA ARG A 21 7.301 2.104 8.041 1.00 40.33 C ATOM 287 C ARG A 21 6.895 1.385 6.743 1.00 15.01 C ATOM 288 O ARG A 21 5.967 1.778 6.045 1.00 12.12 O ATOM 289 CB ARG A 21 6.675 3.466 8.336 1.00 55.11 C ATOM 290 CG ARG A 21 7.253 4.648 7.594 1.00 22.10 C ATOM 291 CD ARG A 21 8.512 5.280 8.230 1.00 75.32 C ATOM 292 NE ARG A 21 9.561 5.564 7.223 1.00 21.34 N ATOM 293 CZ ARG A 21 9.331 6.016 5.984 1.00 34.31 C ATOM 294 NH1 ARG A 21 8.289 6.804 5.712 1.00 44.23 N ATOM 295 NH2 ARG A 21 10.135 5.595 5.022 1.00 54.01 N ATOM 0 H ARG A 21 8.952 1.835 9.266 1.00 64.41 H new ATOM 0 HA ARG A 21 6.811 1.490 8.797 1.00 40.33 H new ATOM 0 HB2 ARG A 21 5.610 3.408 8.110 1.00 55.11 H new ATOM 0 HB3 ARG A 21 6.764 3.658 9.405 1.00 55.11 H new ATOM 0 HG2 ARG A 21 7.498 4.334 6.579 1.00 22.10 H new ATOM 0 HG3 ARG A 21 6.484 5.416 7.513 1.00 22.10 H new ATOM 0 HD2 ARG A 21 8.236 6.205 8.737 1.00 75.32 H new ATOM 0 HD3 ARG A 21 8.911 4.607 8.989 1.00 75.32 H new ATOM 0 HE ARG A 21 10.531 5.403 7.494 1.00 21.34 H new ATOM 0 HH11 ARG A 21 7.646 7.075 6.456 1.00 44.23 H new ATOM 0 HH12 ARG A 21 8.135 7.136 4.760 1.00 44.23 H new ATOM 0 HH21 ARG A 21 10.895 4.950 5.238 1.00 54.01 H new ATOM 0 HH22 ARG A 21 9.995 5.915 4.064 1.00 54.01 H new ATOM 306 N GLN A 22 7.592 0.291 6.429 1.00 43.24 N ATOM 307 CA GLN A 22 7.371 -0.529 5.246 1.00 11.10 C ATOM 308 C GLN A 22 6.669 -1.827 5.665 1.00 40.32 C ATOM 309 O GLN A 22 6.495 -2.098 6.860 1.00 34.34 O ATOM 310 CB GLN A 22 8.722 -0.773 4.542 1.00 71.53 C ATOM 311 CG GLN A 22 9.127 0.380 3.613 1.00 73.25 C ATOM 312 CD GLN A 22 10.613 0.323 3.244 1.00 33.22 C ATOM 313 OE1 GLN A 22 11.433 1.103 3.714 1.00 3.14 O ATOM 314 NE2 GLN A 22 11.006 -0.649 2.448 1.00 54.02 N ATOM 0 H GLN A 22 8.351 -0.057 7.015 1.00 43.24 H new ATOM 0 HA GLN A 22 6.722 -0.026 4.529 1.00 11.10 H new ATOM 0 HB2 GLN A 22 9.498 -0.917 5.294 1.00 71.53 H new ATOM 0 HB3 GLN A 22 8.664 -1.695 3.964 1.00 71.53 H new ATOM 0 HG2 GLN A 22 8.526 0.342 2.705 1.00 73.25 H new ATOM 0 HG3 GLN A 22 8.910 1.331 4.099 1.00 73.25 H new ATOM 0 HE21 GLN A 22 10.322 -1.297 2.058 1.00 54.02 H new ATOM 0 HE22 GLN A 22 11.995 -0.754 2.221 1.00 54.02 H new ATOM 321 N LEU A 23 6.270 -2.634 4.685 1.00 33.14 N ATOM 322 CA LEU A 23 5.569 -3.899 4.850 1.00 44.45 C ATOM 323 C LEU A 23 6.045 -4.845 3.759 1.00 3.12 C ATOM 324 O LEU A 23 6.032 -4.482 2.585 1.00 33.44 O ATOM 325 CB LEU A 23 4.049 -3.631 4.822 1.00 42.34 C ATOM 326 CG LEU A 23 3.129 -4.866 4.804 1.00 11.20 C ATOM 327 CD1 LEU A 23 1.821 -4.585 5.545 1.00 20.54 C ATOM 328 CD2 LEU A 23 2.720 -5.205 3.374 1.00 55.45 C ATOM 0 H LEU A 23 6.437 -2.409 3.704 1.00 33.14 H new ATOM 0 HA LEU A 23 5.783 -4.373 5.808 1.00 44.45 H new ATOM 0 HB2 LEU A 23 3.794 -3.029 5.694 1.00 42.34 H new ATOM 0 HB3 LEU A 23 3.826 -3.028 3.942 1.00 42.34 H new ATOM 0 HG LEU A 23 3.687 -5.676 5.272 1.00 11.20 H new ATOM 0 HD11 LEU A 23 1.189 -5.473 5.518 1.00 20.54 H new ATOM 0 HD12 LEU A 23 2.038 -4.326 6.581 1.00 20.54 H new ATOM 0 HD13 LEU A 23 1.302 -3.755 5.065 1.00 20.54 H new ATOM 0 HD21 LEU A 23 2.070 -6.080 3.379 1.00 55.45 H new ATOM 0 HD22 LEU A 23 2.187 -4.360 2.938 1.00 55.45 H new ATOM 0 HD23 LEU A 23 3.610 -5.418 2.782 1.00 55.45 H new ATOM 339 N GLU A 24 6.513 -6.020 4.168 1.00 73.42 N ATOM 340 CA GLU A 24 7.096 -7.059 3.324 1.00 35.31 C ATOM 341 C GLU A 24 6.072 -8.166 3.149 1.00 22.21 C ATOM 342 O GLU A 24 5.271 -8.411 4.056 1.00 3.14 O ATOM 343 CB GLU A 24 8.351 -7.649 3.978 1.00 52.21 C ATOM 344 CG GLU A 24 9.349 -6.545 4.342 1.00 31.30 C ATOM 345 CD GLU A 24 10.664 -7.063 4.925 1.00 13.14 C ATOM 346 OE1 GLU A 24 11.591 -7.322 4.131 1.00 1.32 O ATOM 347 OE2 GLU A 24 10.848 -7.043 6.167 1.00 44.01 O ATOM 0 H GLU A 24 6.495 -6.288 5.152 1.00 73.42 H new ATOM 0 HA GLU A 24 7.372 -6.624 2.363 1.00 35.31 H new ATOM 0 HB2 GLU A 24 8.072 -8.203 4.875 1.00 52.21 H new ATOM 0 HB3 GLU A 24 8.821 -8.359 3.298 1.00 52.21 H new ATOM 0 HG2 GLU A 24 9.566 -5.957 3.450 1.00 31.30 H new ATOM 0 HG3 GLU A 24 8.884 -5.872 5.063 1.00 31.30 H new ATOM 352 N ILE A 25 6.105 -8.824 1.994 1.00 11.32 N ATOM 353 CA ILE A 25 5.011 -9.602 1.449 1.00 3.24 C ATOM 354 C ILE A 25 5.643 -10.806 0.746 1.00 54.42 C ATOM 355 O ILE A 25 6.559 -10.618 -0.053 1.00 62.43 O ATOM 356 CB ILE A 25 4.238 -8.703 0.444 1.00 64.15 C ATOM 357 CG1 ILE A 25 3.575 -7.475 1.093 1.00 40.32 C ATOM 358 CG2 ILE A 25 3.168 -9.486 -0.315 1.00 51.24 C ATOM 359 CD1 ILE A 25 3.195 -6.382 0.091 1.00 0.44 C ATOM 0 H ILE A 25 6.929 -8.826 1.393 1.00 11.32 H new ATOM 0 HA ILE A 25 4.311 -9.945 2.211 1.00 3.24 H new ATOM 0 HB ILE A 25 5.004 -8.349 -0.246 1.00 64.15 H new ATOM 0 HG12 ILE A 25 2.679 -7.795 1.626 1.00 40.32 H new ATOM 0 HG13 ILE A 25 4.254 -7.056 1.835 1.00 40.32 H new ATOM 0 HG21 ILE A 25 2.652 -8.820 -1.007 1.00 51.24 H new ATOM 0 HG22 ILE A 25 3.637 -10.296 -0.873 1.00 51.24 H new ATOM 0 HG23 ILE A 25 2.450 -9.901 0.393 1.00 51.24 H new ATOM 0 HD11 ILE A 25 2.733 -5.548 0.620 1.00 0.44 H new ATOM 0 HD12 ILE A 25 4.090 -6.034 -0.424 1.00 0.44 H new ATOM 0 HD13 ILE A 25 2.491 -6.785 -0.637 1.00 0.44 H new ATOM 370 N SER A 26 5.147 -12.016 1.000 1.00 20.33 N ATOM 371 CA SER A 26 5.645 -13.254 0.403 1.00 61.34 C ATOM 372 C SER A 26 4.509 -14.035 -0.229 1.00 60.34 C ATOM 373 O SER A 26 3.388 -14.070 0.289 1.00 24.45 O ATOM 374 CB SER A 26 6.366 -14.081 1.467 1.00 41.15 C ATOM 375 OG SER A 26 6.935 -15.289 0.983 1.00 1.20 O ATOM 0 H SER A 26 4.369 -12.166 1.642 1.00 20.33 H new ATOM 0 HA SER A 26 6.356 -13.013 -0.388 1.00 61.34 H new ATOM 0 HB2 SER A 26 7.155 -13.473 1.910 1.00 41.15 H new ATOM 0 HB3 SER A 26 5.662 -14.319 2.264 1.00 41.15 H new ATOM 0 HG SER A 26 7.378 -15.760 1.719 1.00 1.20 H new ATOM 380 N PHE A 27 4.795 -14.656 -1.367 1.00 13.32 N ATOM 381 CA PHE A 27 3.901 -15.543 -2.096 1.00 12.45 C ATOM 382 C PHE A 27 4.476 -16.950 -2.078 1.00 60.33 C ATOM 383 O PHE A 27 5.648 -17.153 -1.752 1.00 44.30 O ATOM 384 CB PHE A 27 3.730 -15.071 -3.551 1.00 23.43 C ATOM 385 CG PHE A 27 2.715 -13.979 -3.783 1.00 23.15 C ATOM 386 CD1 PHE A 27 1.391 -14.184 -3.367 1.00 71.32 C ATOM 387 CD2 PHE A 27 3.063 -12.775 -4.417 1.00 64.33 C ATOM 388 CE1 PHE A 27 0.419 -13.188 -3.544 1.00 41.10 C ATOM 389 CE2 PHE A 27 2.091 -11.775 -4.590 1.00 33.22 C ATOM 390 CZ PHE A 27 0.769 -11.975 -4.156 1.00 22.12 C ATOM 0 H PHE A 27 5.699 -14.549 -1.827 1.00 13.32 H new ATOM 0 HA PHE A 27 2.922 -15.533 -1.616 1.00 12.45 H new ATOM 0 HB2 PHE A 27 4.697 -14.722 -3.914 1.00 23.43 H new ATOM 0 HB3 PHE A 27 3.452 -15.931 -4.160 1.00 23.43 H new ATOM 0 HD1 PHE A 27 1.116 -15.121 -2.905 1.00 71.32 H new ATOM 0 HD2 PHE A 27 4.072 -12.619 -4.770 1.00 64.33 H new ATOM 0 HE1 PHE A 27 -0.595 -13.354 -3.210 1.00 41.10 H new ATOM 0 HE2 PHE A 27 2.363 -10.842 -5.062 1.00 33.22 H new ATOM 0 HZ PHE A 27 0.028 -11.201 -4.293 1.00 22.12 H new ATOM 399 N ASP A 28 3.641 -17.915 -2.473 1.00 31.13 N ATOM 400 CA ASP A 28 4.013 -19.326 -2.465 1.00 1.42 C ATOM 401 C ASP A 28 4.368 -19.841 -3.859 1.00 32.53 C ATOM 402 O ASP A 28 4.715 -21.008 -4.019 1.00 73.31 O ATOM 403 CB ASP A 28 2.871 -20.172 -1.891 1.00 44.32 C ATOM 404 CG ASP A 28 3.351 -21.285 -0.961 1.00 15.31 C ATOM 405 OD1 ASP A 28 4.570 -21.513 -0.785 1.00 31.42 O ATOM 406 OD2 ASP A 28 2.460 -21.910 -0.340 1.00 15.45 O ATOM 0 H ASP A 28 2.693 -17.738 -2.805 1.00 31.13 H new ATOM 0 HA ASP A 28 4.900 -19.416 -1.837 1.00 1.42 H new ATOM 0 HB2 ASP A 28 2.186 -19.523 -1.346 1.00 44.32 H new ATOM 0 HB3 ASP A 28 2.306 -20.613 -2.713 1.00 44.32 H new ATOM 410 N ASN A 29 4.257 -18.994 -4.886 1.00 73.21 N ATOM 411 CA ASN A 29 4.746 -19.303 -6.223 1.00 43.04 C ATOM 412 C ASN A 29 6.272 -19.343 -6.205 1.00 40.43 C ATOM 413 O ASN A 29 6.862 -20.329 -6.650 1.00 11.44 O ATOM 414 CB ASN A 29 4.185 -18.326 -7.277 1.00 32.52 C ATOM 415 CG ASN A 29 4.631 -16.875 -7.118 1.00 13.04 C ATOM 416 OD1 ASN A 29 4.910 -16.416 -6.018 1.00 55.03 O ATOM 417 ND2 ASN A 29 4.667 -16.108 -8.185 1.00 41.13 N ATOM 0 H ASN A 29 3.824 -18.074 -4.809 1.00 73.21 H new ATOM 0 HA ASN A 29 4.385 -20.288 -6.519 1.00 43.04 H new ATOM 0 HB2 ASN A 29 4.481 -18.674 -8.266 1.00 32.52 H new ATOM 0 HB3 ASN A 29 3.096 -18.361 -7.239 1.00 32.52 H new ATOM 0 HD21 ASN A 29 4.928 -15.126 -8.098 1.00 41.13 H new ATOM 0 HD22 ASN A 29 4.434 -16.495 -9.099 1.00 41.13 H new ATOM 423 N GLY A 30 6.900 -18.311 -5.642 1.00 62.52 N ATOM 424 CA GLY A 30 8.331 -18.088 -5.677 1.00 23.11 C ATOM 425 C GLY A 30 8.667 -16.598 -5.727 1.00 21.13 C ATOM 426 O GLY A 30 9.561 -16.209 -6.481 1.00 60.11 O ATOM 0 H GLY A 30 6.400 -17.584 -5.131 1.00 62.52 H new ATOM 0 HA2 GLY A 30 8.791 -18.536 -4.796 1.00 23.11 H new ATOM 0 HA3 GLY A 30 8.756 -18.587 -6.548 1.00 23.11 H new ATOM 430 N GLN A 31 7.933 -15.750 -4.997 1.00 73.42 N ATOM 431 CA GLN A 31 8.098 -14.298 -5.006 1.00 63.53 C ATOM 432 C GLN A 31 8.055 -13.753 -3.582 1.00 12.15 C ATOM 433 O GLN A 31 7.407 -14.340 -2.710 1.00 20.33 O ATOM 434 CB GLN A 31 6.992 -13.637 -5.855 1.00 12.14 C ATOM 435 CG GLN A 31 7.234 -13.725 -7.369 1.00 0.02 C ATOM 436 CD GLN A 31 8.533 -13.027 -7.768 1.00 60.11 C ATOM 437 OE1 GLN A 31 9.451 -13.646 -8.298 1.00 41.12 O ATOM 438 NE2 GLN A 31 8.675 -11.756 -7.443 1.00 60.10 N ATOM 0 H GLN A 31 7.192 -16.065 -4.371 1.00 73.42 H new ATOM 0 HA GLN A 31 9.067 -14.063 -5.446 1.00 63.53 H new ATOM 0 HB2 GLN A 31 6.037 -14.109 -5.621 1.00 12.14 H new ATOM 0 HB3 GLN A 31 6.907 -12.588 -5.571 1.00 12.14 H new ATOM 0 HG2 GLN A 31 7.273 -14.771 -7.672 1.00 0.02 H new ATOM 0 HG3 GLN A 31 6.397 -13.271 -7.900 1.00 0.02 H new ATOM 0 HE21 GLN A 31 7.904 -11.253 -7.003 1.00 60.10 H new ATOM 0 HE22 GLN A 31 9.555 -11.277 -7.632 1.00 60.10 H new ATOM 445 N GLN A 32 8.716 -12.609 -3.399 1.00 43.35 N ATOM 446 CA GLN A 32 8.685 -11.730 -2.242 1.00 75.13 C ATOM 447 C GLN A 32 8.872 -10.301 -2.750 1.00 42.24 C ATOM 448 O GLN A 32 9.439 -10.106 -3.826 1.00 0.11 O ATOM 449 CB GLN A 32 9.803 -12.114 -1.256 1.00 11.41 C ATOM 450 CG GLN A 32 9.269 -13.058 -0.178 1.00 24.34 C ATOM 451 CD GLN A 32 10.298 -14.087 0.254 1.00 32.54 C ATOM 452 OE1 GLN A 32 10.403 -15.159 -0.339 1.00 41.32 O ATOM 453 NE2 GLN A 32 11.053 -13.812 1.302 1.00 1.43 N ATOM 0 H GLN A 32 9.338 -12.248 -4.122 1.00 43.35 H new ATOM 0 HA GLN A 32 7.737 -11.818 -1.711 1.00 75.13 H new ATOM 0 HB2 GLN A 32 10.621 -12.593 -1.794 1.00 11.41 H new ATOM 0 HB3 GLN A 32 10.210 -11.216 -0.791 1.00 11.41 H new ATOM 0 HG2 GLN A 32 8.956 -12.475 0.689 1.00 24.34 H new ATOM 0 HG3 GLN A 32 8.383 -13.570 -0.554 1.00 24.34 H new ATOM 0 HE21 GLN A 32 10.953 -12.918 1.782 1.00 1.43 H new ATOM 0 HE22 GLN A 32 11.736 -14.494 1.631 1.00 1.43 H new ATOM 460 N PHE A 33 8.400 -9.314 -1.986 1.00 34.34 N ATOM 461 CA PHE A 33 8.615 -7.891 -2.225 1.00 61.32 C ATOM 462 C PHE A 33 8.241 -7.087 -0.973 1.00 21.24 C ATOM 463 O PHE A 33 7.758 -7.644 0.017 1.00 32.23 O ATOM 464 CB PHE A 33 7.824 -7.423 -3.463 1.00 4.42 C ATOM 465 CG PHE A 33 6.380 -7.872 -3.561 1.00 35.50 C ATOM 466 CD1 PHE A 33 5.365 -7.135 -2.927 1.00 60.51 C ATOM 467 CD2 PHE A 33 6.039 -8.971 -4.373 1.00 22.32 C ATOM 468 CE1 PHE A 33 4.019 -7.481 -3.131 1.00 54.12 C ATOM 469 CE2 PHE A 33 4.693 -9.322 -4.574 1.00 40.42 C ATOM 470 CZ PHE A 33 3.680 -8.574 -3.946 1.00 53.24 C ATOM 0 H PHE A 33 7.837 -9.493 -1.154 1.00 34.34 H new ATOM 0 HA PHE A 33 9.671 -7.718 -2.432 1.00 61.32 H new ATOM 0 HB2 PHE A 33 7.843 -6.333 -3.487 1.00 4.42 H new ATOM 0 HB3 PHE A 33 8.349 -7.770 -4.353 1.00 4.42 H new ATOM 0 HD1 PHE A 33 5.619 -6.305 -2.285 1.00 60.51 H new ATOM 0 HD2 PHE A 33 6.819 -9.549 -4.846 1.00 22.32 H new ATOM 0 HE1 PHE A 33 3.239 -6.903 -2.658 1.00 54.12 H new ATOM 0 HE2 PHE A 33 4.438 -10.160 -5.206 1.00 40.42 H new ATOM 0 HZ PHE A 33 2.643 -8.840 -4.090 1.00 53.24 H new ATOM 479 N THR A 34 8.428 -5.770 -1.023 1.00 55.22 N ATOM 480 CA THR A 34 8.125 -4.811 0.030 1.00 40.42 C ATOM 481 C THR A 34 7.370 -3.640 -0.604 1.00 33.40 C ATOM 482 O THR A 34 7.644 -3.298 -1.750 1.00 62.15 O ATOM 483 CB THR A 34 9.447 -4.319 0.662 1.00 34.42 C ATOM 484 OG1 THR A 34 10.392 -5.360 0.843 1.00 62.11 O ATOM 485 CG2 THR A 34 9.226 -3.600 1.994 1.00 72.45 C ATOM 0 H THR A 34 8.819 -5.320 -1.851 1.00 55.22 H new ATOM 0 HA THR A 34 7.514 -5.266 0.810 1.00 40.42 H new ATOM 0 HB THR A 34 9.853 -3.608 -0.057 1.00 34.42 H new ATOM 0 HG1 THR A 34 11.208 -4.995 1.243 1.00 62.11 H new ATOM 0 HG21 THR A 34 10.186 -3.275 2.396 1.00 72.45 H new ATOM 0 HG22 THR A 34 8.585 -2.732 1.837 1.00 72.45 H new ATOM 0 HG23 THR A 34 8.749 -4.280 2.700 1.00 72.45 H new ATOM 493 N LEU A 35 6.463 -3.001 0.138 1.00 43.33 N ATOM 494 CA LEU A 35 5.814 -1.732 -0.207 1.00 55.05 C ATOM 495 C LEU A 35 5.905 -0.791 0.988 1.00 3.01 C ATOM 496 O LEU A 35 6.330 -1.204 2.074 1.00 41.33 O ATOM 497 CB LEU A 35 4.354 -1.996 -0.629 1.00 1.11 C ATOM 498 CG LEU A 35 4.243 -2.470 -2.093 1.00 15.30 C ATOM 499 CD1 LEU A 35 3.062 -3.422 -2.256 1.00 3.24 C ATOM 500 CD2 LEU A 35 4.043 -1.289 -3.041 1.00 1.14 C ATOM 0 H LEU A 35 6.146 -3.369 1.035 1.00 43.33 H new ATOM 0 HA LEU A 35 6.316 -1.258 -1.050 1.00 55.05 H new ATOM 0 HB2 LEU A 35 3.919 -2.749 0.028 1.00 1.11 H new ATOM 0 HB3 LEU A 35 3.770 -1.085 -0.500 1.00 1.11 H new ATOM 0 HG LEU A 35 5.174 -2.980 -2.341 1.00 15.30 H new ATOM 0 HD11 LEU A 35 2.997 -3.747 -3.294 1.00 3.24 H new ATOM 0 HD12 LEU A 35 3.203 -4.290 -1.612 1.00 3.24 H new ATOM 0 HD13 LEU A 35 2.141 -2.910 -1.978 1.00 3.24 H new ATOM 0 HD21 LEU A 35 3.968 -1.653 -4.066 1.00 1.14 H new ATOM 0 HD22 LEU A 35 3.127 -0.761 -2.776 1.00 1.14 H new ATOM 0 HD23 LEU A 35 4.891 -0.609 -2.959 1.00 1.14 H new ATOM 511 N SER A 36 5.531 0.472 0.807 1.00 4.44 N ATOM 512 CA SER A 36 5.733 1.563 1.760 1.00 4.41 C ATOM 513 C SER A 36 4.365 2.064 2.236 1.00 43.42 C ATOM 514 O SER A 36 3.447 2.203 1.424 1.00 12.21 O ATOM 515 CB SER A 36 6.589 2.636 1.070 1.00 34.52 C ATOM 516 OG SER A 36 7.836 2.050 0.722 1.00 24.30 O ATOM 0 H SER A 36 5.059 0.778 -0.044 1.00 4.44 H new ATOM 0 HA SER A 36 6.269 1.247 2.655 1.00 4.41 H new ATOM 0 HB2 SER A 36 6.084 3.012 0.180 1.00 34.52 H new ATOM 0 HB3 SER A 36 6.741 3.487 1.734 1.00 34.52 H new ATOM 0 HG SER A 36 8.399 2.718 0.278 1.00 24.30 H new ATOM 521 N CYS A 37 4.184 2.251 3.551 1.00 60.35 N ATOM 522 CA CYS A 37 2.852 2.437 4.126 1.00 72.42 C ATOM 523 C CYS A 37 2.150 3.707 3.635 1.00 1.12 C ATOM 524 O CYS A 37 0.920 3.727 3.571 1.00 12.33 O ATOM 525 CB CYS A 37 2.862 2.364 5.650 1.00 20.22 C ATOM 526 SG CYS A 37 2.866 0.615 6.141 1.00 51.05 S ATOM 0 H CYS A 37 4.943 2.277 4.232 1.00 60.35 H new ATOM 0 HA CYS A 37 2.262 1.597 3.760 1.00 72.42 H new ATOM 0 HB2 CYS A 37 3.741 2.872 6.048 1.00 20.22 H new ATOM 0 HB3 CYS A 37 1.988 2.871 6.060 1.00 20.22 H new ATOM 0 HG CYS A 37 2.877 0.528 7.438 1.00 51.05 H new ATOM 531 N GLU A 38 2.896 4.741 3.246 1.00 63.33 N ATOM 532 CA GLU A 38 2.353 5.898 2.565 1.00 33.54 C ATOM 533 C GLU A 38 1.608 5.469 1.286 1.00 53.33 C ATOM 534 O GLU A 38 0.421 5.769 1.147 1.00 55.42 O ATOM 535 CB GLU A 38 3.452 6.954 2.346 1.00 73.31 C ATOM 536 CG GLU A 38 4.760 6.490 1.654 1.00 42.04 C ATOM 537 CD GLU A 38 6.060 6.698 2.463 1.00 13.00 C ATOM 538 OE1 GLU A 38 6.011 6.898 3.698 1.00 4.13 O ATOM 539 OE2 GLU A 38 7.159 6.567 1.879 1.00 13.10 O ATOM 0 H GLU A 38 3.903 4.792 3.400 1.00 63.33 H new ATOM 0 HA GLU A 38 1.602 6.384 3.188 1.00 33.54 H new ATOM 0 HB2 GLU A 38 3.027 7.765 1.754 1.00 73.31 H new ATOM 0 HB3 GLU A 38 3.715 7.373 3.317 1.00 73.31 H new ATOM 0 HG2 GLU A 38 4.667 5.430 1.418 1.00 42.04 H new ATOM 0 HG3 GLU A 38 4.855 7.021 0.707 1.00 42.04 H new ATOM 544 N LEU A 39 2.253 4.710 0.387 1.00 54.32 N ATOM 545 CA LEU A 39 1.636 4.237 -0.859 1.00 42.44 C ATOM 546 C LEU A 39 0.465 3.292 -0.574 1.00 73.51 C ATOM 547 O LEU A 39 -0.525 3.296 -1.306 1.00 44.01 O ATOM 548 CB LEU A 39 2.667 3.541 -1.768 1.00 23.53 C ATOM 549 CG LEU A 39 2.157 3.345 -3.219 1.00 75.12 C ATOM 550 CD1 LEU A 39 2.221 4.654 -4.017 1.00 40.13 C ATOM 551 CD2 LEU A 39 2.991 2.271 -3.925 1.00 34.12 C ATOM 0 H LEU A 39 3.220 4.407 0.505 1.00 54.32 H new ATOM 0 HA LEU A 39 1.254 5.114 -1.381 1.00 42.44 H new ATOM 0 HB2 LEU A 39 3.584 4.131 -1.787 1.00 23.53 H new ATOM 0 HB3 LEU A 39 2.921 2.570 -1.343 1.00 23.53 H new ATOM 0 HG LEU A 39 1.115 3.028 -3.168 1.00 75.12 H new ATOM 0 HD11 LEU A 39 1.856 4.481 -5.030 1.00 40.13 H new ATOM 0 HD12 LEU A 39 1.600 5.407 -3.531 1.00 40.13 H new ATOM 0 HD13 LEU A 39 3.252 5.005 -4.058 1.00 40.13 H new ATOM 0 HD21 LEU A 39 2.627 2.139 -4.944 1.00 34.12 H new ATOM 0 HD22 LEU A 39 4.036 2.580 -3.950 1.00 34.12 H new ATOM 0 HD23 LEU A 39 2.904 1.329 -3.384 1.00 34.12 H new ATOM 562 N LEU A 40 0.545 2.502 0.503 1.00 72.52 N ATOM 563 CA LEU A 40 -0.563 1.674 0.984 1.00 13.22 C ATOM 564 C LEU A 40 -1.811 2.527 1.203 1.00 52.00 C ATOM 565 O LEU A 40 -2.880 2.147 0.721 1.00 63.34 O ATOM 566 CB LEU A 40 -0.169 0.888 2.244 1.00 72.13 C ATOM 567 CG LEU A 40 0.151 -0.610 2.044 1.00 1.30 C ATOM 568 CD1 LEU A 40 1.097 -0.867 0.867 1.00 14.42 C ATOM 569 CD2 LEU A 40 0.804 -1.187 3.315 1.00 52.33 C ATOM 0 H LEU A 40 1.389 2.420 1.069 1.00 72.52 H new ATOM 0 HA LEU A 40 -0.799 0.935 0.218 1.00 13.22 H new ATOM 0 HB2 LEU A 40 0.703 1.368 2.688 1.00 72.13 H new ATOM 0 HB3 LEU A 40 -0.981 0.971 2.967 1.00 72.13 H new ATOM 0 HG LEU A 40 -0.801 -1.098 1.832 1.00 1.30 H new ATOM 0 HD11 LEU A 40 1.284 -1.937 0.777 1.00 14.42 H new ATOM 0 HD12 LEU A 40 0.641 -0.500 -0.053 1.00 14.42 H new ATOM 0 HD13 LEU A 40 2.040 -0.347 1.038 1.00 14.42 H new ATOM 0 HD21 LEU A 40 1.025 -2.243 3.163 1.00 52.33 H new ATOM 0 HD22 LEU A 40 1.728 -0.649 3.525 1.00 52.33 H new ATOM 0 HD23 LEU A 40 0.121 -1.077 4.157 1.00 52.33 H new ATOM 580 N ARG A 41 -1.727 3.652 1.926 1.00 62.21 N ATOM 581 CA ARG A 41 -2.923 4.471 2.146 1.00 1.30 C ATOM 582 C ARG A 41 -3.384 5.076 0.828 1.00 11.25 C ATOM 583 O ARG A 41 -4.570 5.005 0.521 1.00 52.43 O ATOM 584 CB ARG A 41 -2.687 5.573 3.192 1.00 55.44 C ATOM 585 CG ARG A 41 -3.964 5.930 3.974 1.00 21.33 C ATOM 586 CD ARG A 41 -5.105 6.685 3.277 1.00 11.41 C ATOM 587 NE ARG A 41 -6.217 6.871 4.231 1.00 65.11 N ATOM 588 CZ ARG A 41 -6.719 8.012 4.717 1.00 45.01 C ATOM 589 NH1 ARG A 41 -6.371 9.191 4.212 1.00 32.24 N ATOM 590 NH2 ARG A 41 -7.569 7.966 5.733 1.00 41.23 N ATOM 0 H ARG A 41 -0.872 4.006 2.355 1.00 62.21 H new ATOM 0 HA ARG A 41 -3.704 3.820 2.540 1.00 1.30 H new ATOM 0 HB2 ARG A 41 -1.917 5.247 3.891 1.00 55.44 H new ATOM 0 HB3 ARG A 41 -2.308 6.466 2.695 1.00 55.44 H new ATOM 0 HG2 ARG A 41 -4.379 4.999 4.359 1.00 21.33 H new ATOM 0 HG3 ARG A 41 -3.661 6.524 4.836 1.00 21.33 H new ATOM 0 HD2 ARG A 41 -4.752 7.652 2.918 1.00 11.41 H new ATOM 0 HD3 ARG A 41 -5.447 6.127 2.405 1.00 11.41 H new ATOM 0 HE ARG A 41 -6.662 6.015 4.564 1.00 65.11 H new ATOM 0 HH11 ARG A 41 -5.708 9.239 3.438 1.00 32.24 H new ATOM 0 HH12 ARG A 41 -6.766 10.048 4.598 1.00 32.24 H new ATOM 0 HH21 ARG A 41 -7.834 7.067 6.136 1.00 41.23 H new ATOM 0 HH22 ARG A 41 -7.958 8.829 6.112 1.00 41.23 H new ATOM 601 N VAL A 42 -2.466 5.695 0.088 1.00 74.32 N ATOM 602 CA VAL A 42 -2.690 6.410 -1.150 1.00 1.24 C ATOM 603 C VAL A 42 -3.437 5.482 -2.103 1.00 13.42 C ATOM 604 O VAL A 42 -4.632 5.659 -2.334 1.00 12.41 O ATOM 605 CB VAL A 42 -1.291 6.870 -1.615 1.00 63.33 C ATOM 606 CG1 VAL A 42 -1.206 7.330 -3.064 1.00 61.23 C ATOM 607 CG2 VAL A 42 -0.719 7.969 -0.700 1.00 15.41 C ATOM 0 H VAL A 42 -1.484 5.706 0.363 1.00 74.32 H new ATOM 0 HA VAL A 42 -3.319 7.297 -1.073 1.00 1.24 H new ATOM 0 HB VAL A 42 -0.688 5.965 -1.544 1.00 63.33 H new ATOM 0 HG11 VAL A 42 -0.183 7.632 -3.291 1.00 61.23 H new ATOM 0 HG12 VAL A 42 -1.497 6.512 -3.723 1.00 61.23 H new ATOM 0 HG13 VAL A 42 -1.876 8.176 -3.217 1.00 61.23 H new ATOM 0 HG21 VAL A 42 0.266 8.266 -1.060 1.00 15.41 H new ATOM 0 HG22 VAL A 42 -1.384 8.832 -0.709 1.00 15.41 H new ATOM 0 HG23 VAL A 42 -0.634 7.587 0.317 1.00 15.41 H new ATOM 617 N TYR A 43 -2.768 4.444 -2.590 1.00 24.44 N ATOM 618 CA TYR A 43 -3.278 3.568 -3.622 1.00 32.31 C ATOM 619 C TYR A 43 -4.105 2.442 -2.983 1.00 4.21 C ATOM 620 O TYR A 43 -3.922 1.270 -3.319 1.00 60.53 O ATOM 621 CB TYR A 43 -2.088 3.082 -4.475 1.00 31.41 C ATOM 622 CG TYR A 43 -2.377 2.999 -5.961 1.00 41.21 C ATOM 623 CD1 TYR A 43 -3.452 2.236 -6.460 1.00 74.42 C ATOM 624 CD2 TYR A 43 -1.546 3.696 -6.856 1.00 1.33 C ATOM 625 CE1 TYR A 43 -3.700 2.185 -7.844 1.00 35.35 C ATOM 626 CE2 TYR A 43 -1.799 3.664 -8.234 1.00 33.53 C ATOM 627 CZ TYR A 43 -2.881 2.910 -8.736 1.00 75.24 C ATOM 628 OH TYR A 43 -3.130 2.913 -10.074 1.00 31.41 O ATOM 0 H TYR A 43 -1.835 4.187 -2.267 1.00 24.44 H new ATOM 0 HA TYR A 43 -3.962 4.085 -4.295 1.00 32.31 H new ATOM 0 HB2 TYR A 43 -1.245 3.755 -4.318 1.00 31.41 H new ATOM 0 HB3 TYR A 43 -1.781 2.098 -4.121 1.00 31.41 H new ATOM 0 HD1 TYR A 43 -4.087 1.689 -5.778 1.00 74.42 H new ATOM 0 HD2 TYR A 43 -0.706 4.260 -6.478 1.00 1.33 H new ATOM 0 HE1 TYR A 43 -4.518 1.591 -8.224 1.00 35.35 H new ATOM 0 HE2 TYR A 43 -1.166 4.217 -8.912 1.00 33.53 H new ATOM 0 HH TYR A 43 -2.463 3.468 -10.530 1.00 31.41 H new ATOM 637 N SER A 44 -4.945 2.740 -1.984 1.00 44.10 N ATOM 638 CA SER A 44 -5.782 1.696 -1.412 1.00 64.11 C ATOM 639 C SER A 44 -6.834 1.307 -2.462 1.00 53.10 C ATOM 640 O SER A 44 -7.352 2.174 -3.177 1.00 0.12 O ATOM 641 CB SER A 44 -6.374 2.113 -0.055 1.00 15.12 C ATOM 642 OG SER A 44 -6.700 3.488 0.046 1.00 60.51 O ATOM 0 H SER A 44 -5.057 3.666 -1.571 1.00 44.10 H new ATOM 0 HA SER A 44 -5.188 0.812 -1.179 1.00 64.11 H new ATOM 0 HB2 SER A 44 -7.273 1.525 0.131 1.00 15.12 H new ATOM 0 HB3 SER A 44 -5.661 1.863 0.731 1.00 15.12 H new ATOM 0 HG SER A 44 -5.945 3.975 0.437 1.00 60.51 H new ATOM 647 N PRO A 45 -7.213 0.023 -2.547 1.00 31.14 N ATOM 648 CA PRO A 45 -8.037 -0.489 -3.641 1.00 63.14 C ATOM 649 C PRO A 45 -9.472 0.035 -3.587 1.00 52.01 C ATOM 650 O PRO A 45 -10.162 0.040 -4.603 1.00 4.22 O ATOM 651 CB PRO A 45 -8.004 -2.010 -3.498 1.00 15.12 C ATOM 652 CG PRO A 45 -7.771 -2.184 -2.007 1.00 13.44 C ATOM 653 CD PRO A 45 -6.800 -1.060 -1.677 1.00 33.11 C ATOM 0 HA PRO A 45 -7.649 -0.157 -4.604 1.00 63.14 H new ATOM 0 HB2 PRO A 45 -8.938 -2.470 -3.821 1.00 15.12 H new ATOM 0 HB3 PRO A 45 -7.206 -2.458 -4.090 1.00 15.12 H new ATOM 0 HG2 PRO A 45 -8.698 -2.095 -1.441 1.00 13.44 H new ATOM 0 HG3 PRO A 45 -7.349 -3.162 -1.776 1.00 13.44 H new ATOM 0 HD2 PRO A 45 -6.861 -0.774 -0.627 1.00 33.11 H new ATOM 0 HD3 PRO A 45 -5.768 -1.354 -1.868 1.00 33.11 H new ATOM 658 N SER A 46 -9.921 0.489 -2.420 1.00 11.33 N ATOM 659 CA SER A 46 -11.245 1.054 -2.212 1.00 0.01 C ATOM 660 C SER A 46 -11.260 2.577 -2.287 1.00 61.53 C ATOM 661 O SER A 46 -12.303 3.195 -2.108 1.00 34.32 O ATOM 662 CB SER A 46 -11.815 0.510 -0.899 1.00 74.42 C ATOM 663 OG SER A 46 -10.819 0.313 0.105 1.00 42.42 O ATOM 0 H SER A 46 -9.356 0.472 -1.571 1.00 11.33 H new ATOM 0 HA SER A 46 -11.894 0.741 -3.030 1.00 0.01 H new ATOM 0 HB2 SER A 46 -12.569 1.201 -0.523 1.00 74.42 H new ATOM 0 HB3 SER A 46 -12.319 -0.437 -1.093 1.00 74.42 H new ATOM 0 HG SER A 46 -11.240 -0.033 0.920 1.00 42.42 H new ATOM 777 N VAL A 56 -8.244 9.567 -5.941 1.00 64.23 N ATOM 778 CA VAL A 56 -8.040 10.973 -5.620 1.00 0.03 C ATOM 779 C VAL A 56 -6.531 11.213 -5.481 1.00 22.34 C ATOM 780 O VAL A 56 -5.761 10.287 -5.201 1.00 44.33 O ATOM 781 CB VAL A 56 -8.847 11.335 -4.345 1.00 75.51 C ATOM 782 CG1 VAL A 56 -8.893 12.850 -4.082 1.00 44.31 C ATOM 783 CG2 VAL A 56 -10.308 10.846 -4.417 1.00 32.32 C ATOM 0 HA VAL A 56 -8.409 11.629 -6.409 1.00 0.03 H new ATOM 0 HB VAL A 56 -8.317 10.831 -3.537 1.00 75.51 H new ATOM 0 HG11 VAL A 56 -9.470 13.045 -3.178 1.00 44.31 H new ATOM 0 HG12 VAL A 56 -7.879 13.228 -3.953 1.00 44.31 H new ATOM 0 HG13 VAL A 56 -9.363 13.352 -4.928 1.00 44.31 H new ATOM 0 HG21 VAL A 56 -10.830 11.124 -3.501 1.00 32.32 H new ATOM 0 HG22 VAL A 56 -10.804 11.306 -5.272 1.00 32.32 H new ATOM 0 HG23 VAL A 56 -10.324 9.762 -4.529 1.00 32.32 H new ATOM 793 N LEU A 57 -6.094 12.464 -5.629 1.00 2.04 N ATOM 794 CA LEU A 57 -4.763 12.873 -5.205 1.00 2.12 C ATOM 795 C LEU A 57 -4.648 12.642 -3.696 1.00 22.15 C ATOM 796 O LEU A 57 -5.385 13.255 -2.912 1.00 40.33 O ATOM 797 CB LEU A 57 -4.533 14.346 -5.567 1.00 71.40 C ATOM 798 CG LEU A 57 -3.172 14.899 -5.094 1.00 63.50 C ATOM 799 CD1 LEU A 57 -1.997 14.212 -5.802 1.00 64.23 C ATOM 800 CD2 LEU A 57 -3.093 16.410 -5.337 1.00 3.41 C ATOM 0 H LEU A 57 -6.650 13.213 -6.043 1.00 2.04 H new ATOM 0 HA LEU A 57 -3.998 12.287 -5.714 1.00 2.12 H new ATOM 0 HB2 LEU A 57 -4.605 14.460 -6.649 1.00 71.40 H new ATOM 0 HB3 LEU A 57 -5.330 14.947 -5.130 1.00 71.40 H new ATOM 0 HG LEU A 57 -3.098 14.692 -4.026 1.00 63.50 H new ATOM 0 HD11 LEU A 57 -1.058 14.631 -5.440 1.00 64.23 H new ATOM 0 HD12 LEU A 57 -2.021 13.142 -5.593 1.00 64.23 H new ATOM 0 HD13 LEU A 57 -2.075 14.374 -6.877 1.00 64.23 H new ATOM 0 HD21 LEU A 57 -2.127 16.783 -4.998 1.00 3.41 H new ATOM 0 HD22 LEU A 57 -3.207 16.614 -6.402 1.00 3.41 H new ATOM 0 HD23 LEU A 57 -3.889 16.909 -4.785 1.00 3.41 H new ATOM 811 N VAL A 58 -3.730 11.769 -3.278 1.00 13.21 N ATOM 812 CA VAL A 58 -3.398 11.582 -1.872 1.00 52.23 C ATOM 813 C VAL A 58 -1.937 11.978 -1.686 1.00 63.35 C ATOM 814 O VAL A 58 -1.078 11.733 -2.537 1.00 4.43 O ATOM 815 CB VAL A 58 -3.730 10.157 -1.389 1.00 60.22 C ATOM 816 CG1 VAL A 58 -3.432 9.995 0.113 1.00 15.11 C ATOM 817 CG2 VAL A 58 -5.211 9.814 -1.599 1.00 55.40 C ATOM 0 H VAL A 58 -3.197 11.172 -3.910 1.00 13.21 H new ATOM 0 HA VAL A 58 -4.012 12.223 -1.240 1.00 52.23 H new ATOM 0 HB VAL A 58 -3.105 9.487 -1.979 1.00 60.22 H new ATOM 0 HG11 VAL A 58 -3.676 8.980 0.425 1.00 15.11 H new ATOM 0 HG12 VAL A 58 -2.375 10.187 0.297 1.00 15.11 H new ATOM 0 HG13 VAL A 58 -4.034 10.704 0.682 1.00 15.11 H new ATOM 0 HG21 VAL A 58 -5.404 8.801 -1.246 1.00 55.40 H new ATOM 0 HG22 VAL A 58 -5.830 10.517 -1.041 1.00 55.40 H new ATOM 0 HG23 VAL A 58 -5.453 9.880 -2.660 1.00 55.40 H new ATOM 827 N THR A 59 -1.712 12.665 -0.578 1.00 21.22 N ATOM 828 CA THR A 59 -0.478 13.259 -0.118 1.00 51.25 C ATOM 829 C THR A 59 0.356 12.227 0.648 1.00 62.53 C ATOM 830 O THR A 59 -0.069 11.085 0.867 1.00 64.31 O ATOM 831 CB THR A 59 -0.903 14.442 0.769 1.00 55.21 C ATOM 832 OG1 THR A 59 -1.974 14.073 1.628 1.00 0.30 O ATOM 833 CG2 THR A 59 -1.415 15.575 -0.125 1.00 31.34 C ATOM 0 H THR A 59 -2.469 12.834 0.085 1.00 21.22 H new ATOM 0 HA THR A 59 0.155 13.600 -0.937 1.00 51.25 H new ATOM 0 HB THR A 59 -0.040 14.749 1.360 1.00 55.21 H new ATOM 0 HG1 THR A 59 -1.867 13.138 1.901 1.00 0.30 H new ATOM 0 HG21 THR A 59 -1.719 16.419 0.495 1.00 31.34 H new ATOM 0 HG22 THR A 59 -0.622 15.890 -0.803 1.00 31.34 H new ATOM 0 HG23 THR A 59 -2.269 15.224 -0.704 1.00 31.34 H new ATOM 841 N HIS A 60 1.546 12.636 1.096 1.00 20.33 N ATOM 842 CA HIS A 60 2.331 11.829 2.016 1.00 22.40 C ATOM 843 C HIS A 60 1.544 11.592 3.315 1.00 42.42 C ATOM 844 O HIS A 60 0.618 12.333 3.659 1.00 4.31 O ATOM 845 CB HIS A 60 3.650 12.525 2.354 1.00 40.13 C ATOM 846 CG HIS A 60 4.517 13.053 1.239 1.00 33.14 C ATOM 847 ND1 HIS A 60 5.612 13.843 1.476 1.00 71.33 N ATOM 848 CD2 HIS A 60 4.465 12.808 -0.108 1.00 32.50 C ATOM 849 CE1 HIS A 60 6.235 14.055 0.310 1.00 13.32 C ATOM 850 NE2 HIS A 60 5.562 13.459 -0.683 1.00 42.05 N ATOM 0 H HIS A 60 1.981 13.520 0.833 1.00 20.33 H new ATOM 0 HA HIS A 60 2.542 10.875 1.533 1.00 22.40 H new ATOM 0 HB2 HIS A 60 3.418 13.362 3.012 1.00 40.13 H new ATOM 0 HB3 HIS A 60 4.252 11.823 2.931 1.00 40.13 H new ATOM 0 HD1 HIS A 60 5.902 14.207 2.384 1.00 71.33 H new ATOM 0 HD2 HIS A 60 3.719 12.224 -0.627 1.00 32.50 H new ATOM 0 HE1 HIS A 60 7.146 14.623 0.188 1.00 13.32 H new ATOM 857 N LYS A 61 1.970 10.602 4.095 1.00 52.44 N ATOM 858 CA LYS A 61 1.651 10.496 5.516 1.00 15.14 C ATOM 859 C LYS A 61 2.873 11.010 6.276 1.00 75.34 C ATOM 860 O LYS A 61 3.911 11.291 5.686 1.00 62.44 O ATOM 861 CB LYS A 61 1.336 9.028 5.861 1.00 14.04 C ATOM 862 CG LYS A 61 -0.141 8.613 5.731 1.00 63.42 C ATOM 863 CD LYS A 61 -0.797 8.905 4.376 1.00 11.44 C ATOM 864 CE LYS A 61 -1.559 10.233 4.410 1.00 12.11 C ATOM 865 NZ LYS A 61 -2.912 10.084 4.991 1.00 1.00 N ATOM 0 H LYS A 61 2.555 9.840 3.753 1.00 52.44 H new ATOM 0 HA LYS A 61 0.773 11.083 5.788 1.00 15.14 H new ATOM 0 HB2 LYS A 61 1.933 8.386 5.213 1.00 14.04 H new ATOM 0 HB3 LYS A 61 1.659 8.837 6.884 1.00 14.04 H new ATOM 0 HG2 LYS A 61 -0.218 7.544 5.928 1.00 63.42 H new ATOM 0 HG3 LYS A 61 -0.712 9.122 6.508 1.00 63.42 H new ATOM 0 HD2 LYS A 61 -0.034 8.939 3.598 1.00 11.44 H new ATOM 0 HD3 LYS A 61 -1.480 8.096 4.117 1.00 11.44 H new ATOM 0 HE2 LYS A 61 -0.993 10.960 4.992 1.00 12.11 H new ATOM 0 HE3 LYS A 61 -1.641 10.629 3.398 1.00 12.11 H new ATOM 0 HZ1 LYS A 61 -3.216 10.991 5.399 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -3.580 9.797 4.247 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -2.892 9.359 5.736 1.00 1.00 H new ATOM 875 N LYS A 62 2.694 11.183 7.580 1.00 72.32 N ATOM 876 CA LYS A 62 3.705 11.551 8.547 1.00 74.41 C ATOM 877 C LYS A 62 4.301 10.269 9.135 1.00 25.21 C ATOM 878 O LYS A 62 5.453 9.943 8.897 1.00 52.35 O ATOM 879 CB LYS A 62 3.108 12.508 9.606 1.00 10.00 C ATOM 880 CG LYS A 62 1.667 12.172 10.045 1.00 41.34 C ATOM 881 CD LYS A 62 0.570 13.056 9.422 1.00 24.51 C ATOM 882 CE LYS A 62 -0.674 12.241 9.030 1.00 61.34 C ATOM 883 NZ LYS A 62 -1.203 11.397 10.128 1.00 30.44 N ATOM 0 H LYS A 62 1.778 11.061 8.011 1.00 72.32 H new ATOM 0 HA LYS A 62 4.519 12.105 8.079 1.00 74.41 H new ATOM 0 HB2 LYS A 62 3.752 12.500 10.486 1.00 10.00 H new ATOM 0 HB3 LYS A 62 3.124 13.523 9.208 1.00 10.00 H new ATOM 0 HG2 LYS A 62 1.460 11.132 9.793 1.00 41.34 H new ATOM 0 HG3 LYS A 62 1.606 12.255 11.130 1.00 41.34 H new ATOM 0 HD2 LYS A 62 0.285 13.834 10.131 1.00 24.51 H new ATOM 0 HD3 LYS A 62 0.967 13.558 8.540 1.00 24.51 H new ATOM 0 HE2 LYS A 62 -1.456 12.925 8.700 1.00 61.34 H new ATOM 0 HE3 LYS A 62 -0.428 11.604 8.180 1.00 61.34 H new ATOM 0 HZ1 LYS A 62 -1.986 10.814 9.771 1.00 30.44 H new ATOM 0 HZ2 LYS A 62 -0.447 10.779 10.486 1.00 30.44 H new ATOM 0 HZ3 LYS A 62 -1.547 12.005 10.898 1.00 30.44 H new ATOM 893 N ASN A 63 3.529 9.502 9.905 1.00 63.45 N ATOM 894 CA ASN A 63 3.978 8.236 10.469 1.00 70.45 C ATOM 895 C ASN A 63 2.778 7.312 10.437 1.00 65.22 C ATOM 896 O ASN A 63 2.017 7.242 11.403 1.00 65.13 O ATOM 897 CB ASN A 63 4.569 8.422 11.880 1.00 44.13 C ATOM 898 CG ASN A 63 6.022 8.867 11.780 1.00 42.35 C ATOM 899 OD1 ASN A 63 6.913 8.038 11.619 1.00 61.44 O ATOM 900 ND2 ASN A 63 6.296 10.163 11.822 1.00 24.51 N ATOM 0 H ASN A 63 2.570 9.746 10.154 1.00 63.45 H new ATOM 0 HA ASN A 63 4.795 7.803 9.891 1.00 70.45 H new ATOM 0 HB2 ASN A 63 3.990 9.163 12.431 1.00 44.13 H new ATOM 0 HB3 ASN A 63 4.504 7.487 12.437 1.00 44.13 H new ATOM 0 HD21 ASN A 63 7.259 10.484 11.720 1.00 24.51 H new ATOM 0 HD22 ASN A 63 5.544 10.839 11.956 1.00 24.51 H new ATOM 906 N VAL A 64 2.545 6.680 9.287 1.00 61.15 N ATOM 907 CA VAL A 64 1.591 5.589 9.184 1.00 52.02 C ATOM 908 C VAL A 64 2.315 4.307 9.580 1.00 65.44 C ATOM 909 O VAL A 64 3.172 3.790 8.857 1.00 61.52 O ATOM 910 CB VAL A 64 0.910 5.555 7.805 1.00 63.52 C ATOM 911 CG1 VAL A 64 1.866 5.660 6.612 1.00 34.13 C ATOM 912 CG2 VAL A 64 -0.004 4.338 7.652 1.00 41.33 C ATOM 0 H VAL A 64 3.011 6.911 8.410 1.00 61.15 H new ATOM 0 HA VAL A 64 0.755 5.725 9.870 1.00 52.02 H new ATOM 0 HB VAL A 64 0.306 6.462 7.782 1.00 63.52 H new ATOM 0 HG11 VAL A 64 1.295 5.627 5.684 1.00 34.13 H new ATOM 0 HG12 VAL A 64 2.415 6.600 6.667 1.00 34.13 H new ATOM 0 HG13 VAL A 64 2.569 4.827 6.635 1.00 34.13 H new ATOM 0 HG21 VAL A 64 -0.466 4.351 6.665 1.00 41.33 H new ATOM 0 HG22 VAL A 64 0.582 3.426 7.766 1.00 41.33 H new ATOM 0 HG23 VAL A 64 -0.781 4.368 8.416 1.00 41.33 H new ATOM 922 N ASN A 65 1.977 3.792 10.755 1.00 32.24 N ATOM 923 CA ASN A 65 2.445 2.494 11.213 1.00 4.41 C ATOM 924 C ASN A 65 1.262 1.545 11.229 1.00 30.21 C ATOM 925 O ASN A 65 0.110 1.982 11.337 1.00 41.05 O ATOM 926 CB ASN A 65 3.197 2.625 12.539 1.00 44.15 C ATOM 927 CG ASN A 65 4.507 3.362 12.306 1.00 44.41 C ATOM 928 OD1 ASN A 65 4.633 4.542 12.628 1.00 33.33 O ATOM 929 ND2 ASN A 65 5.503 2.732 11.708 1.00 21.12 N ATOM 0 H ASN A 65 1.367 4.267 11.420 1.00 32.24 H new ATOM 0 HA ASN A 65 3.183 2.068 10.533 1.00 4.41 H new ATOM 0 HB2 ASN A 65 2.587 3.165 13.264 1.00 44.15 H new ATOM 0 HB3 ASN A 65 3.392 1.638 12.958 1.00 44.15 H new ATOM 0 HD21 ASN A 65 6.375 3.225 11.514 1.00 21.12 H new ATOM 0 HD22 ASN A 65 5.400 1.753 11.440 1.00 21.12 H new ATOM 935 N ILE A 66 1.541 0.254 11.039 1.00 34.32 N ATOM 936 CA ILE A 66 0.515 -0.776 11.042 1.00 34.44 C ATOM 937 C ILE A 66 0.469 -1.350 12.431 1.00 24.23 C ATOM 938 O ILE A 66 1.452 -1.916 12.916 1.00 31.20 O ATOM 939 CB ILE A 66 0.724 -1.846 9.953 1.00 25.30 C ATOM 940 CG1 ILE A 66 0.302 -1.177 8.626 1.00 4.33 C ATOM 941 CG2 ILE A 66 -0.101 -3.127 10.213 1.00 73.45 C ATOM 942 CD1 ILE A 66 0.451 -2.029 7.372 1.00 33.41 C ATOM 0 H ILE A 66 2.484 -0.101 10.880 1.00 34.32 H new ATOM 0 HA ILE A 66 -0.450 -0.338 10.786 1.00 34.44 H new ATOM 0 HB ILE A 66 1.763 -2.175 9.935 1.00 25.30 H new ATOM 0 HG12 ILE A 66 -0.741 -0.871 8.712 1.00 4.33 H new ATOM 0 HG13 ILE A 66 0.891 -0.269 8.496 1.00 4.33 H new ATOM 0 HG21 ILE A 66 0.084 -3.847 9.416 1.00 73.45 H new ATOM 0 HG22 ILE A 66 0.192 -3.561 11.169 1.00 73.45 H new ATOM 0 HG23 ILE A 66 -1.162 -2.878 10.238 1.00 73.45 H new ATOM 0 HD11 ILE A 66 0.125 -1.457 6.503 1.00 33.41 H new ATOM 0 HD12 ILE A 66 1.496 -2.314 7.248 1.00 33.41 H new ATOM 0 HD13 ILE A 66 -0.161 -2.926 7.467 1.00 33.41 H new ATOM 953 N ASN A 67 -0.704 -1.241 13.033 1.00 32.44 N ATOM 954 CA ASN A 67 -0.950 -1.762 14.359 1.00 2.22 C ATOM 955 C ASN A 67 -1.272 -3.245 14.319 1.00 43.04 C ATOM 956 O ASN A 67 -0.961 -3.934 15.290 1.00 43.32 O ATOM 957 CB ASN A 67 -2.058 -0.949 15.044 1.00 25.23 C ATOM 958 CG ASN A 67 -1.479 0.316 15.659 1.00 11.34 C ATOM 959 OD1 ASN A 67 -0.437 0.265 16.316 1.00 41.22 O ATOM 960 ND2 ASN A 67 -2.105 1.462 15.483 1.00 54.35 N ATOM 0 H ASN A 67 -1.513 -0.786 12.610 1.00 32.44 H new ATOM 0 HA ASN A 67 -0.041 -1.658 14.951 1.00 2.22 H new ATOM 0 HB2 ASN A 67 -2.829 -0.689 14.319 1.00 25.23 H new ATOM 0 HB3 ASN A 67 -2.536 -1.551 15.816 1.00 25.23 H new ATOM 0 HD21 ASN A 67 -1.728 2.317 15.892 1.00 54.35 H new ATOM 0 HD22 ASN A 67 -2.966 1.494 14.938 1.00 54.35 H new ATOM 966 N ALA A 68 -1.859 -3.769 13.238 1.00 13.20 N ATOM 967 CA ALA A 68 -2.280 -5.164 13.189 1.00 61.33 C ATOM 968 C ALA A 68 -2.646 -5.552 11.765 1.00 41.45 C ATOM 969 O ALA A 68 -2.893 -4.690 10.918 1.00 45.12 O ATOM 970 CB ALA A 68 -3.506 -5.376 14.094 1.00 33.20 C ATOM 0 H ALA A 68 -2.052 -3.243 12.386 1.00 13.20 H new ATOM 0 HA ALA A 68 -1.455 -5.786 13.536 1.00 61.33 H new ATOM 0 HB1 ALA A 68 -3.814 -6.421 14.051 1.00 33.20 H new ATOM 0 HB2 ALA A 68 -3.250 -5.115 15.121 1.00 33.20 H new ATOM 0 HB3 ALA A 68 -4.325 -4.743 13.752 1.00 33.20 H new ATOM 976 N ILE A 69 -2.742 -6.858 11.540 1.00 62.31 N ATOM 977 CA ILE A 69 -3.297 -7.464 10.347 1.00 74.52 C ATOM 978 C ILE A 69 -4.404 -8.406 10.822 1.00 42.35 C ATOM 979 O ILE A 69 -4.314 -8.958 11.921 1.00 45.02 O ATOM 980 CB ILE A 69 -2.180 -8.195 9.562 1.00 72.24 C ATOM 981 CG1 ILE A 69 -1.013 -7.256 9.157 1.00 2.32 C ATOM 982 CG2 ILE A 69 -2.745 -8.851 8.296 1.00 14.01 C ATOM 983 CD1 ILE A 69 0.220 -7.462 10.045 1.00 11.41 C ATOM 0 H ILE A 69 -2.419 -7.549 12.218 1.00 62.31 H new ATOM 0 HA ILE A 69 -3.715 -6.729 9.659 1.00 74.52 H new ATOM 0 HB ILE A 69 -1.786 -8.953 10.239 1.00 72.24 H new ATOM 0 HG12 ILE A 69 -0.745 -7.437 8.116 1.00 2.32 H new ATOM 0 HG13 ILE A 69 -1.341 -6.219 9.226 1.00 2.32 H new ATOM 0 HG21 ILE A 69 -1.943 -9.359 7.760 1.00 14.01 H new ATOM 0 HG22 ILE A 69 -3.512 -9.575 8.572 1.00 14.01 H new ATOM 0 HG23 ILE A 69 -3.183 -8.086 7.654 1.00 14.01 H new ATOM 0 HD11 ILE A 69 1.014 -6.786 9.728 1.00 11.41 H new ATOM 0 HD12 ILE A 69 -0.040 -7.255 11.083 1.00 11.41 H new ATOM 0 HD13 ILE A 69 0.564 -8.492 9.956 1.00 11.41 H new ATOM 994 N THR A 70 -5.422 -8.620 9.992 1.00 13.33 N ATOM 995 CA THR A 70 -6.431 -9.659 10.151 1.00 41.43 C ATOM 996 C THR A 70 -6.832 -10.121 8.744 1.00 74.34 C ATOM 997 O THR A 70 -7.169 -9.284 7.912 1.00 50.43 O ATOM 998 CB THR A 70 -7.622 -9.082 10.939 1.00 23.34 C ATOM 999 OG1 THR A 70 -7.233 -8.712 12.252 1.00 21.25 O ATOM 1000 CG2 THR A 70 -8.802 -10.041 11.042 1.00 33.11 C ATOM 0 H THR A 70 -5.571 -8.051 9.158 1.00 13.33 H new ATOM 0 HA THR A 70 -6.058 -10.516 10.712 1.00 41.43 H new ATOM 0 HB THR A 70 -7.943 -8.208 10.373 1.00 23.34 H new ATOM 0 HG1 THR A 70 -6.274 -8.879 12.368 1.00 21.25 H new ATOM 0 HG21 THR A 70 -9.605 -9.570 11.609 1.00 33.11 H new ATOM 0 HG22 THR A 70 -9.160 -10.286 10.042 1.00 33.11 H new ATOM 0 HG23 THR A 70 -8.486 -10.953 11.548 1.00 33.11 H new ATOM 1008 N PRO A 71 -6.773 -11.421 8.430 1.00 11.23 N ATOM 1009 CA PRO A 71 -7.202 -11.959 7.143 1.00 34.32 C ATOM 1010 C PRO A 71 -8.723 -11.865 7.010 1.00 54.44 C ATOM 1011 O PRO A 71 -9.456 -12.130 7.963 1.00 25.53 O ATOM 1012 CB PRO A 71 -6.722 -13.414 7.166 1.00 74.10 C ATOM 1013 CG PRO A 71 -6.695 -13.774 8.647 1.00 5.01 C ATOM 1014 CD PRO A 71 -6.337 -12.473 9.327 1.00 5.23 C ATOM 0 HA PRO A 71 -6.795 -11.413 6.292 1.00 34.32 H new ATOM 0 HB2 PRO A 71 -7.397 -14.065 6.610 1.00 74.10 H new ATOM 0 HB3 PRO A 71 -5.736 -13.515 6.713 1.00 74.10 H new ATOM 0 HG2 PRO A 71 -7.661 -14.150 8.985 1.00 5.01 H new ATOM 0 HG3 PRO A 71 -5.960 -14.551 8.857 1.00 5.01 H new ATOM 0 HD2 PRO A 71 -6.831 -12.390 10.295 1.00 5.23 H new ATOM 0 HD3 PRO A 71 -5.264 -12.410 9.510 1.00 5.23 H new ATOM 1019 N VAL A 72 -9.195 -11.539 5.808 1.00 14.34 N ATOM 1020 CA VAL A 72 -10.612 -11.432 5.467 1.00 25.54 C ATOM 1021 C VAL A 72 -10.829 -12.221 4.180 1.00 22.23 C ATOM 1022 O VAL A 72 -9.886 -12.451 3.409 1.00 10.43 O ATOM 1023 CB VAL A 72 -11.042 -9.951 5.366 1.00 5.04 C ATOM 1024 CG1 VAL A 72 -12.572 -9.805 5.298 1.00 64.31 C ATOM 1025 CG2 VAL A 72 -10.569 -9.135 6.579 1.00 50.10 C ATOM 0 H VAL A 72 -8.581 -11.335 5.019 1.00 14.34 H new ATOM 0 HA VAL A 72 -11.245 -11.856 6.246 1.00 25.54 H new ATOM 0 HB VAL A 72 -10.581 -9.576 4.452 1.00 5.04 H new ATOM 0 HG11 VAL A 72 -12.834 -8.749 5.228 1.00 64.31 H new ATOM 0 HG12 VAL A 72 -12.949 -10.332 4.421 1.00 64.31 H new ATOM 0 HG13 VAL A 72 -13.018 -10.231 6.197 1.00 64.31 H new ATOM 0 HG21 VAL A 72 -10.892 -8.100 6.469 1.00 50.10 H new ATOM 0 HG22 VAL A 72 -10.998 -9.554 7.489 1.00 50.10 H new ATOM 0 HG23 VAL A 72 -9.481 -9.172 6.640 1.00 50.10 H new ATOM 1035 N GLY A 73 -12.053 -12.721 3.992 1.00 45.01 N ATOM 1036 CA GLY A 73 -12.486 -13.503 2.843 1.00 65.44 C ATOM 1037 C GLY A 73 -11.741 -14.821 2.638 1.00 21.35 C ATOM 1038 O GLY A 73 -11.974 -15.521 1.650 1.00 51.13 O ATOM 0 H GLY A 73 -12.800 -12.582 4.672 1.00 45.01 H new ATOM 0 HA2 GLY A 73 -13.549 -13.717 2.949 1.00 65.44 H new ATOM 0 HA3 GLY A 73 -12.371 -12.895 1.945 1.00 65.44 H new ATOM 1042 N ASN A 74 -10.801 -15.141 3.532 1.00 63.20 N ATOM 1043 CA ASN A 74 -9.652 -15.997 3.282 1.00 71.12 C ATOM 1044 C ASN A 74 -8.915 -15.654 1.961 1.00 40.04 C ATOM 1045 O ASN A 74 -8.219 -16.509 1.424 1.00 34.21 O ATOM 1046 CB ASN A 74 -10.095 -17.463 3.433 1.00 54.24 C ATOM 1047 CG ASN A 74 -8.929 -18.397 3.709 1.00 75.30 C ATOM 1048 OD1 ASN A 74 -8.632 -19.279 2.911 1.00 31.23 O ATOM 1049 ND2 ASN A 74 -8.303 -18.293 4.869 1.00 15.15 N ATOM 0 H ASN A 74 -10.827 -14.792 4.490 1.00 63.20 H new ATOM 0 HA ASN A 74 -8.879 -15.814 4.028 1.00 71.12 H new ATOM 0 HB2 ASN A 74 -10.818 -17.539 4.245 1.00 54.24 H new ATOM 0 HB3 ASN A 74 -10.604 -17.781 2.523 1.00 54.24 H new ATOM 0 HD21 ASN A 74 -7.562 -18.952 5.110 1.00 15.15 H new ATOM 0 HD22 ASN A 74 -8.561 -17.554 5.523 1.00 15.15 H new ATOM 1055 N TYR A 75 -9.044 -14.427 1.421 1.00 3.25 N ATOM 1056 CA TYR A 75 -8.485 -13.977 0.133 1.00 52.33 C ATOM 1057 C TYR A 75 -7.806 -12.596 0.200 1.00 12.33 C ATOM 1058 O TYR A 75 -7.370 -12.079 -0.828 1.00 1.42 O ATOM 1059 CB TYR A 75 -9.574 -14.025 -0.965 1.00 54.04 C ATOM 1060 CG TYR A 75 -10.878 -13.265 -0.722 1.00 24.34 C ATOM 1061 CD1 TYR A 75 -10.886 -11.921 -0.298 1.00 74.14 C ATOM 1062 CD2 TYR A 75 -12.108 -13.903 -0.962 1.00 33.43 C ATOM 1063 CE1 TYR A 75 -12.092 -11.247 -0.029 1.00 21.24 C ATOM 1064 CE2 TYR A 75 -13.322 -13.236 -0.718 1.00 0.11 C ATOM 1065 CZ TYR A 75 -13.321 -11.914 -0.221 1.00 34.41 C ATOM 1066 OH TYR A 75 -14.491 -11.287 0.080 1.00 62.33 O ATOM 0 H TYR A 75 -9.565 -13.688 1.893 1.00 3.25 H new ATOM 0 HA TYR A 75 -7.687 -14.673 -0.125 1.00 52.33 H new ATOM 0 HB2 TYR A 75 -9.134 -13.645 -1.887 1.00 54.04 H new ATOM 0 HB3 TYR A 75 -9.826 -15.071 -1.139 1.00 54.04 H new ATOM 0 HD1 TYR A 75 -9.949 -11.398 -0.177 1.00 74.14 H new ATOM 0 HD2 TYR A 75 -12.121 -14.916 -1.338 1.00 33.43 H new ATOM 0 HE1 TYR A 75 -12.077 -10.226 0.322 1.00 21.24 H new ATOM 0 HE2 TYR A 75 -14.259 -13.737 -0.912 1.00 0.11 H new ATOM 0 HH TYR A 75 -15.242 -11.886 -0.112 1.00 62.33 H new ATOM 1075 N ALA A 76 -7.759 -11.952 1.368 1.00 73.40 N ATOM 1076 CA ALA A 76 -7.322 -10.578 1.575 1.00 12.02 C ATOM 1077 C ALA A 76 -6.852 -10.376 3.015 1.00 52.43 C ATOM 1078 O ALA A 76 -7.017 -11.274 3.844 1.00 13.44 O ATOM 1079 CB ALA A 76 -8.530 -9.688 1.302 1.00 53.14 C ATOM 0 H ALA A 76 -8.041 -12.403 2.239 1.00 73.40 H new ATOM 0 HA ALA A 76 -6.489 -10.336 0.915 1.00 12.02 H new ATOM 0 HB1 ALA A 76 -8.252 -8.644 1.445 1.00 53.14 H new ATOM 0 HB2 ALA A 76 -8.867 -9.837 0.276 1.00 53.14 H new ATOM 0 HB3 ALA A 76 -9.335 -9.946 1.990 1.00 53.14 H new ATOM 1085 N VAL A 77 -6.336 -9.191 3.341 1.00 1.34 N ATOM 1086 CA VAL A 77 -6.069 -8.770 4.714 1.00 41.40 C ATOM 1087 C VAL A 77 -6.622 -7.372 4.945 1.00 5.34 C ATOM 1088 O VAL A 77 -6.598 -6.551 4.030 1.00 25.34 O ATOM 1089 CB VAL A 77 -4.566 -8.804 5.052 1.00 54.13 C ATOM 1090 CG1 VAL A 77 -4.104 -10.237 5.323 1.00 24.21 C ATOM 1091 CG2 VAL A 77 -3.656 -8.134 4.007 1.00 3.41 C ATOM 0 H VAL A 77 -6.088 -8.486 2.647 1.00 1.34 H new ATOM 0 HA VAL A 77 -6.568 -9.478 5.376 1.00 41.40 H new ATOM 0 HB VAL A 77 -4.463 -8.203 5.956 1.00 54.13 H new ATOM 0 HG11 VAL A 77 -3.040 -10.238 5.560 1.00 24.21 H new ATOM 0 HG12 VAL A 77 -4.663 -10.647 6.164 1.00 24.21 H new ATOM 0 HG13 VAL A 77 -4.279 -10.849 4.438 1.00 24.21 H new ATOM 0 HG21 VAL A 77 -2.617 -8.206 4.329 1.00 3.41 H new ATOM 0 HG22 VAL A 77 -3.774 -8.636 3.047 1.00 3.41 H new ATOM 0 HG23 VAL A 77 -3.932 -7.084 3.904 1.00 3.41 H new ATOM 1101 N LYS A 78 -7.100 -7.150 6.171 1.00 72.14 N ATOM 1102 CA LYS A 78 -7.304 -5.905 6.885 1.00 23.53 C ATOM 1103 C LYS A 78 -5.968 -5.465 7.464 1.00 65.42 C ATOM 1104 O LYS A 78 -5.314 -6.307 8.084 1.00 34.11 O ATOM 1105 CB LYS A 78 -8.274 -6.226 8.043 1.00 32.12 C ATOM 1106 CG LYS A 78 -9.162 -5.036 8.384 1.00 53.33 C ATOM 1107 CD LYS A 78 -10.290 -5.384 9.350 1.00 72.24 C ATOM 1108 CE LYS A 78 -11.405 -6.138 8.621 1.00 74.11 C ATOM 1109 NZ LYS A 78 -12.343 -5.236 7.921 1.00 24.31 N ATOM 0 H LYS A 78 -7.385 -7.940 6.749 1.00 72.14 H new ATOM 0 HA LYS A 78 -7.699 -5.120 6.241 1.00 23.53 H new ATOM 0 HB2 LYS A 78 -8.897 -7.078 7.770 1.00 32.12 H new ATOM 0 HB3 LYS A 78 -7.703 -6.518 8.925 1.00 32.12 H new ATOM 0 HG2 LYS A 78 -8.549 -4.247 8.820 1.00 53.33 H new ATOM 0 HG3 LYS A 78 -9.590 -4.635 7.465 1.00 53.33 H new ATOM 0 HD2 LYS A 78 -9.903 -5.994 10.166 1.00 72.24 H new ATOM 0 HD3 LYS A 78 -10.690 -4.473 9.795 1.00 72.24 H new ATOM 0 HE2 LYS A 78 -10.962 -6.825 7.900 1.00 74.11 H new ATOM 0 HE3 LYS A 78 -11.958 -6.743 9.339 1.00 74.11 H new ATOM 0 HZ1 LYS A 78 -12.690 -5.699 7.057 1.00 24.31 H new ATOM 0 HZ2 LYS A 78 -13.147 -5.019 8.544 1.00 24.31 H new ATOM 0 HZ3 LYS A 78 -11.853 -4.354 7.668 1.00 24.31 H new ATOM 1119 N LEU A 79 -5.580 -4.200 7.309 1.00 23.42 N ATOM 1120 CA LEU A 79 -4.356 -3.586 7.825 1.00 45.22 C ATOM 1121 C LEU A 79 -4.805 -2.396 8.662 1.00 72.34 C ATOM 1122 O LEU A 79 -5.314 -1.410 8.129 1.00 43.25 O ATOM 1123 CB LEU A 79 -3.410 -3.134 6.685 1.00 32.22 C ATOM 1124 CG LEU A 79 -2.389 -4.177 6.186 1.00 43.35 C ATOM 1125 CD1 LEU A 79 -2.958 -5.575 6.040 1.00 71.31 C ATOM 1126 CD2 LEU A 79 -1.755 -3.737 4.860 1.00 4.14 C ATOM 0 H LEU A 79 -6.148 -3.533 6.786 1.00 23.42 H new ATOM 0 HA LEU A 79 -3.785 -4.303 8.416 1.00 45.22 H new ATOM 0 HB2 LEU A 79 -4.021 -2.822 5.838 1.00 32.22 H new ATOM 0 HB3 LEU A 79 -2.862 -2.255 7.024 1.00 32.22 H new ATOM 0 HG LEU A 79 -1.627 -4.227 6.964 1.00 43.35 H new ATOM 0 HD11 LEU A 79 -2.179 -6.250 5.685 1.00 71.31 H new ATOM 0 HD12 LEU A 79 -3.325 -5.921 7.006 1.00 71.31 H new ATOM 0 HD13 LEU A 79 -3.779 -5.561 5.324 1.00 71.31 H new ATOM 0 HD21 LEU A 79 -1.039 -4.491 4.531 1.00 4.14 H new ATOM 0 HD22 LEU A 79 -2.533 -3.622 4.105 1.00 4.14 H new ATOM 0 HD23 LEU A 79 -1.242 -2.786 5.000 1.00 4.14 H new ATOM 1137 N VAL A 80 -4.674 -2.512 9.979 1.00 73.53 N ATOM 1138 CA VAL A 80 -5.008 -1.424 10.895 1.00 45.45 C ATOM 1139 C VAL A 80 -3.898 -0.378 10.790 1.00 61.15 C ATOM 1140 O VAL A 80 -2.725 -0.738 10.926 1.00 34.12 O ATOM 1141 CB VAL A 80 -5.165 -1.941 12.338 1.00 41.14 C ATOM 1142 CG1 VAL A 80 -5.657 -0.818 13.258 1.00 70.35 C ATOM 1143 CG2 VAL A 80 -6.177 -3.087 12.435 1.00 25.14 C ATOM 0 H VAL A 80 -4.336 -3.356 10.441 1.00 73.53 H new ATOM 0 HA VAL A 80 -5.966 -0.979 10.625 1.00 45.45 H new ATOM 0 HB VAL A 80 -4.182 -2.299 12.643 1.00 41.14 H new ATOM 0 HG11 VAL A 80 -5.763 -1.200 14.274 1.00 70.35 H new ATOM 0 HG12 VAL A 80 -4.937 0.000 13.251 1.00 70.35 H new ATOM 0 HG13 VAL A 80 -6.622 -0.455 12.905 1.00 70.35 H new ATOM 0 HG21 VAL A 80 -6.254 -3.418 13.471 1.00 25.14 H new ATOM 0 HG22 VAL A 80 -7.152 -2.741 12.091 1.00 25.14 H new ATOM 0 HG23 VAL A 80 -5.846 -3.918 11.812 1.00 25.14 H new ATOM 1153 N PHE A 81 -4.246 0.895 10.579 1.00 44.21 N ATOM 1154 CA PHE A 81 -3.277 1.967 10.380 1.00 3.21 C ATOM 1155 C PHE A 81 -3.442 3.037 11.450 1.00 21.22 C ATOM 1156 O PHE A 81 -4.543 3.554 11.644 1.00 2.02 O ATOM 1157 CB PHE A 81 -3.475 2.630 9.011 1.00 25.23 C ATOM 1158 CG PHE A 81 -3.061 1.819 7.799 1.00 65.13 C ATOM 1159 CD1 PHE A 81 -1.711 1.482 7.595 1.00 23.13 C ATOM 1160 CD2 PHE A 81 -4.004 1.521 6.801 1.00 73.12 C ATOM 1161 CE1 PHE A 81 -1.317 0.843 6.406 1.00 3.42 C ATOM 1162 CE2 PHE A 81 -3.622 0.838 5.637 1.00 54.42 C ATOM 1163 CZ PHE A 81 -2.279 0.489 5.446 1.00 71.51 C ATOM 0 H PHE A 81 -5.216 1.209 10.542 1.00 44.21 H new ATOM 0 HA PHE A 81 -2.282 1.525 10.439 1.00 3.21 H new ATOM 0 HB2 PHE A 81 -4.529 2.886 8.906 1.00 25.23 H new ATOM 0 HB3 PHE A 81 -2.917 3.566 9.002 1.00 25.23 H new ATOM 0 HD1 PHE A 81 -0.976 1.714 8.352 1.00 23.13 H new ATOM 0 HD2 PHE A 81 -5.033 1.821 6.931 1.00 73.12 H new ATOM 0 HE1 PHE A 81 -0.274 0.624 6.231 1.00 3.42 H new ATOM 0 HE2 PHE A 81 -4.360 0.582 4.891 1.00 54.42 H new ATOM 0 HZ PHE A 81 -1.983 -0.053 4.560 1.00 71.51 H new ATOM 1172 N ASP A 82 -2.323 3.465 12.041 1.00 32.54 N ATOM 1173 CA ASP A 82 -2.289 4.579 12.990 1.00 71.42 C ATOM 1174 C ASP A 82 -2.822 5.875 12.370 1.00 53.15 C ATOM 1175 O ASP A 82 -3.283 6.751 13.100 1.00 3.44 O ATOM 1176 CB ASP A 82 -0.859 4.836 13.507 1.00 32.53 C ATOM 1177 CG ASP A 82 -0.516 4.080 14.787 1.00 54.11 C ATOM 1178 OD1 ASP A 82 -1.319 4.139 15.754 1.00 11.40 O ATOM 1179 OD2 ASP A 82 0.545 3.446 14.855 1.00 2.42 O ATOM 0 H ASP A 82 -1.409 3.045 11.872 1.00 32.54 H new ATOM 0 HA ASP A 82 -2.933 4.288 13.820 1.00 71.42 H new ATOM 0 HB2 ASP A 82 -0.147 4.556 12.730 1.00 32.53 H new ATOM 0 HB3 ASP A 82 -0.734 5.904 13.684 1.00 32.53 H new ATOM 1183 N ASP A 83 -2.793 6.017 11.037 1.00 13.12 N ATOM 1184 CA ASP A 83 -3.304 7.198 10.325 1.00 11.34 C ATOM 1185 C ASP A 83 -4.837 7.311 10.391 1.00 4.41 C ATOM 1186 O ASP A 83 -5.401 8.300 9.920 1.00 30.21 O ATOM 1187 CB ASP A 83 -2.816 7.209 8.869 1.00 44.04 C ATOM 1188 CG ASP A 83 -3.070 8.546 8.160 1.00 1.22 C ATOM 1189 OD1 ASP A 83 -2.572 9.605 8.613 1.00 70.44 O ATOM 1190 OD2 ASP A 83 -3.727 8.581 7.095 1.00 4.41 O ATOM 0 H ASP A 83 -2.409 5.306 10.415 1.00 13.12 H new ATOM 0 HA ASP A 83 -2.903 8.074 10.835 1.00 11.34 H new ATOM 0 HB2 ASP A 83 -1.748 6.990 8.848 1.00 44.04 H new ATOM 0 HB3 ASP A 83 -3.315 6.412 8.318 1.00 44.04 H new ATOM 1194 N GLY A 84 -5.526 6.343 11.005 1.00 30.22 N ATOM 1195 CA GLY A 84 -6.812 6.600 11.637 1.00 34.14 C ATOM 1196 C GLY A 84 -7.988 5.830 11.059 1.00 61.11 C ATOM 1197 O GLY A 84 -9.122 6.300 11.208 1.00 62.35 O ATOM 0 H GLY A 84 -5.209 5.376 11.074 1.00 30.22 H new ATOM 0 HA2 GLY A 84 -6.730 6.363 12.698 1.00 34.14 H new ATOM 0 HA3 GLY A 84 -7.027 7.666 11.564 1.00 34.14 H new ATOM 1201 N HIS A 85 -7.769 4.694 10.394 1.00 2.11 N ATOM 1202 CA HIS A 85 -8.787 3.779 9.966 1.00 45.11 C ATOM 1203 C HIS A 85 -8.301 2.350 10.223 1.00 22.54 C ATOM 1204 O HIS A 85 -7.095 2.084 10.243 1.00 50.11 O ATOM 1205 CB HIS A 85 -9.100 4.047 8.500 1.00 44.20 C ATOM 1206 CG HIS A 85 -7.958 4.077 7.513 1.00 61.54 C ATOM 1207 ND1 HIS A 85 -7.806 3.192 6.472 1.00 54.40 N ATOM 1208 CD2 HIS A 85 -6.966 5.016 7.408 1.00 1.30 C ATOM 1209 CE1 HIS A 85 -6.743 3.579 5.753 1.00 50.33 C ATOM 1210 NE2 HIS A 85 -6.195 4.687 6.286 1.00 63.34 N ATOM 0 H HIS A 85 -6.831 4.389 10.136 1.00 2.11 H new ATOM 0 HA HIS A 85 -9.713 3.913 10.525 1.00 45.11 H new ATOM 0 HB2 HIS A 85 -9.806 3.286 8.167 1.00 44.20 H new ATOM 0 HB3 HIS A 85 -9.614 5.006 8.441 1.00 44.20 H new ATOM 0 HD1 HIS A 85 -8.398 2.384 6.281 1.00 54.40 H new ATOM 0 HD2 HIS A 85 -6.808 5.855 8.069 1.00 1.30 H new ATOM 0 HE1 HIS A 85 -6.378 3.074 4.871 1.00 50.33 H new ATOM 1217 N ASP A 86 -9.241 1.421 10.396 1.00 22.42 N ATOM 1218 CA ASP A 86 -8.992 0.030 10.764 1.00 62.21 C ATOM 1219 C ASP A 86 -9.172 -0.950 9.612 1.00 51.42 C ATOM 1220 O ASP A 86 -9.032 -2.151 9.809 1.00 41.41 O ATOM 1221 CB ASP A 86 -9.973 -0.395 11.866 1.00 74.20 C ATOM 1222 CG ASP A 86 -11.371 -0.644 11.268 1.00 11.42 C ATOM 1223 OD1 ASP A 86 -11.994 0.331 10.798 1.00 51.23 O ATOM 1224 OD2 ASP A 86 -11.856 -1.803 11.222 1.00 73.40 O ATOM 0 H ASP A 86 -10.233 1.626 10.279 1.00 22.42 H new ATOM 0 HA ASP A 86 -7.952 -0.006 11.090 1.00 62.21 H new ATOM 0 HB2 ASP A 86 -9.612 -1.300 12.355 1.00 74.20 H new ATOM 0 HB3 ASP A 86 -10.030 0.379 12.631 1.00 74.20 H new ATOM 1228 N THR A 87 -9.559 -0.434 8.445 1.00 42.31 N ATOM 1229 CA THR A 87 -9.884 -1.193 7.269 1.00 32.32 C ATOM 1230 C THR A 87 -8.586 -1.667 6.598 1.00 2.25 C ATOM 1231 O THR A 87 -8.143 -2.789 6.820 1.00 23.45 O ATOM 1232 CB THR A 87 -10.777 -0.297 6.374 1.00 43.02 C ATOM 1233 OG1 THR A 87 -10.182 0.982 6.178 1.00 71.21 O ATOM 1234 CG2 THR A 87 -12.150 -0.099 7.030 1.00 74.22 C ATOM 0 H THR A 87 -9.654 0.572 8.303 1.00 42.31 H new ATOM 0 HA THR A 87 -10.446 -2.100 7.492 1.00 32.32 H new ATOM 0 HB THR A 87 -10.887 -0.795 5.411 1.00 43.02 H new ATOM 0 HG1 THR A 87 -10.763 1.529 5.609 1.00 71.21 H new ATOM 0 HG21 THR A 87 -12.770 0.532 6.393 1.00 74.22 H new ATOM 0 HG22 THR A 87 -12.633 -1.067 7.162 1.00 74.22 H new ATOM 0 HG23 THR A 87 -12.024 0.379 8.001 1.00 74.22 H new ATOM 1242 N GLY A 88 -7.990 -0.821 5.774 1.00 32.34 N ATOM 1243 CA GLY A 88 -6.830 -1.103 4.948 1.00 3.23 C ATOM 1244 C GLY A 88 -7.004 -2.460 4.287 1.00 31.23 C ATOM 1245 O GLY A 88 -6.236 -3.371 4.592 1.00 70.22 O ATOM 0 H GLY A 88 -8.323 0.136 5.658 1.00 32.34 H new ATOM 0 HA2 GLY A 88 -6.712 -0.329 4.190 1.00 3.23 H new ATOM 0 HA3 GLY A 88 -5.925 -1.095 5.556 1.00 3.23 H new ATOM 1249 N LEU A 89 -8.060 -2.656 3.482 1.00 52.04 N ATOM 1250 CA LEU A 89 -8.264 -3.956 2.866 1.00 33.13 C ATOM 1251 C LEU A 89 -7.492 -3.971 1.569 1.00 32.51 C ATOM 1252 O LEU A 89 -7.622 -3.049 0.768 1.00 74.11 O ATOM 1253 CB LEU A 89 -9.729 -4.280 2.550 1.00 13.34 C ATOM 1254 CG LEU A 89 -10.589 -4.877 3.652 1.00 62.31 C ATOM 1255 CD1 LEU A 89 -9.983 -6.137 4.244 1.00 5.13 C ATOM 1256 CD2 LEU A 89 -10.879 -3.874 4.764 1.00 73.42 C ATOM 0 H LEU A 89 -8.760 -1.950 3.254 1.00 52.04 H new ATOM 0 HA LEU A 89 -7.926 -4.706 3.581 1.00 33.13 H new ATOM 0 HB2 LEU A 89 -10.208 -3.360 2.216 1.00 13.34 H new ATOM 0 HB3 LEU A 89 -9.742 -4.971 1.707 1.00 13.34 H new ATOM 0 HG LEU A 89 -11.531 -5.145 3.173 1.00 62.31 H new ATOM 0 HD11 LEU A 89 -10.637 -6.522 5.026 1.00 5.13 H new ATOM 0 HD12 LEU A 89 -9.870 -6.888 3.462 1.00 5.13 H new ATOM 0 HD13 LEU A 89 -9.006 -5.906 4.669 1.00 5.13 H new ATOM 0 HD21 LEU A 89 -11.496 -4.346 5.528 1.00 73.42 H new ATOM 0 HD22 LEU A 89 -9.941 -3.543 5.209 1.00 73.42 H new ATOM 0 HD23 LEU A 89 -11.407 -3.015 4.350 1.00 73.42 H new ATOM 1267 N TYR A 90 -6.792 -5.067 1.322 1.00 73.11 N ATOM 1268 CA TYR A 90 -5.992 -5.280 0.111 1.00 4.23 C ATOM 1269 C TYR A 90 -6.245 -6.674 -0.444 1.00 14.23 C ATOM 1270 O TYR A 90 -6.754 -7.541 0.266 1.00 21.53 O ATOM 1271 CB TYR A 90 -4.493 -5.036 0.359 1.00 32.51 C ATOM 1272 CG TYR A 90 -4.173 -3.640 0.853 1.00 51.12 C ATOM 1273 CD1 TYR A 90 -4.291 -3.364 2.224 1.00 72.42 C ATOM 1274 CD2 TYR A 90 -3.793 -2.614 -0.037 1.00 21.41 C ATOM 1275 CE1 TYR A 90 -4.089 -2.064 2.707 1.00 71.32 C ATOM 1276 CE2 TYR A 90 -3.559 -1.310 0.447 1.00 32.55 C ATOM 1277 CZ TYR A 90 -3.752 -1.029 1.819 1.00 54.34 C ATOM 1278 OH TYR A 90 -3.631 0.228 2.314 1.00 22.52 O ATOM 0 H TYR A 90 -6.759 -5.855 1.968 1.00 73.11 H new ATOM 0 HA TYR A 90 -6.306 -4.548 -0.633 1.00 4.23 H new ATOM 0 HB2 TYR A 90 -4.133 -5.761 1.089 1.00 32.51 H new ATOM 0 HB3 TYR A 90 -3.947 -5.217 -0.567 1.00 32.51 H new ATOM 0 HD1 TYR A 90 -4.539 -4.159 2.912 1.00 72.42 H new ATOM 0 HD2 TYR A 90 -3.681 -2.827 -1.090 1.00 21.41 H new ATOM 0 HE1 TYR A 90 -4.192 -1.858 3.762 1.00 71.32 H new ATOM 0 HE2 TYR A 90 -3.234 -0.531 -0.227 1.00 32.55 H new ATOM 0 HH TYR A 90 -3.609 0.870 1.574 1.00 22.52 H new ATOM 1287 N SER A 91 -5.918 -6.889 -1.713 1.00 32.13 N ATOM 1288 CA SER A 91 -6.087 -8.151 -2.422 1.00 42.21 C ATOM 1289 C SER A 91 -4.735 -8.533 -3.012 1.00 41.22 C ATOM 1290 O SER A 91 -3.848 -7.687 -3.144 1.00 51.31 O ATOM 1291 CB SER A 91 -7.129 -7.995 -3.534 1.00 21.52 C ATOM 1292 OG SER A 91 -8.352 -7.426 -3.106 1.00 32.34 O ATOM 0 H SER A 91 -5.512 -6.160 -2.299 1.00 32.13 H new ATOM 0 HA SER A 91 -6.437 -8.928 -1.743 1.00 42.21 H new ATOM 0 HB2 SER A 91 -6.709 -7.374 -4.325 1.00 21.52 H new ATOM 0 HB3 SER A 91 -7.329 -8.974 -3.969 1.00 21.52 H new ATOM 0 HG SER A 91 -8.965 -7.356 -3.868 1.00 32.34 H new ATOM 1297 N TRP A 92 -4.564 -9.799 -3.371 1.00 23.35 N ATOM 1298 CA TRP A 92 -3.270 -10.323 -3.776 1.00 72.51 C ATOM 1299 C TRP A 92 -2.824 -9.698 -5.103 1.00 41.44 C ATOM 1300 O TRP A 92 -1.696 -9.215 -5.193 1.00 22.14 O ATOM 1301 CB TRP A 92 -3.353 -11.850 -3.802 1.00 1.32 C ATOM 1302 CG TRP A 92 -3.956 -12.530 -2.593 1.00 22.34 C ATOM 1303 CD1 TRP A 92 -4.616 -13.714 -2.618 1.00 41.20 C ATOM 1304 CD2 TRP A 92 -3.980 -12.111 -1.187 1.00 72.14 C ATOM 1305 NE1 TRP A 92 -4.989 -14.079 -1.341 1.00 55.23 N ATOM 1306 CE2 TRP A 92 -4.575 -13.153 -0.415 1.00 44.33 C ATOM 1307 CE3 TRP A 92 -3.543 -10.972 -0.472 1.00 60.30 C ATOM 1308 CZ2 TRP A 92 -4.673 -13.089 0.982 1.00 64.21 C ATOM 1309 CZ3 TRP A 92 -3.604 -10.913 0.930 1.00 1.03 C ATOM 1310 CH2 TRP A 92 -4.152 -11.979 1.656 1.00 60.30 C ATOM 0 H TRP A 92 -5.316 -10.487 -3.389 1.00 23.35 H new ATOM 0 HA TRP A 92 -2.495 -10.050 -3.060 1.00 72.51 H new ATOM 0 HB2 TRP A 92 -3.932 -12.142 -4.678 1.00 1.32 H new ATOM 0 HB3 TRP A 92 -2.345 -12.241 -3.942 1.00 1.32 H new ATOM 0 HD1 TRP A 92 -4.820 -14.289 -3.509 1.00 41.20 H new ATOM 0 HE1 TRP A 92 -5.506 -14.928 -1.114 1.00 55.23 H new ATOM 0 HE3 TRP A 92 -3.152 -10.126 -1.018 1.00 60.30 H new ATOM 0 HZ2 TRP A 92 -5.146 -13.889 1.533 1.00 64.21 H new ATOM 0 HZ3 TRP A 92 -3.228 -10.044 1.450 1.00 1.03 H new ATOM 0 HH2 TRP A 92 -4.172 -11.944 2.735 1.00 60.30 H new ATOM 1320 N LYS A 93 -3.732 -9.580 -6.082 1.00 33.33 N ATOM 1321 CA LYS A 93 -3.523 -8.848 -7.334 1.00 41.21 C ATOM 1322 C LYS A 93 -3.012 -7.437 -7.072 1.00 51.30 C ATOM 1323 O LYS A 93 -2.079 -6.999 -7.746 1.00 13.25 O ATOM 1324 CB LYS A 93 -4.819 -8.826 -8.143 1.00 14.31 C ATOM 1325 CG LYS A 93 -4.571 -8.347 -9.584 1.00 2.13 C ATOM 1326 CD LYS A 93 -5.889 -8.376 -10.349 1.00 60.50 C ATOM 1327 CE LYS A 93 -5.787 -7.854 -11.791 1.00 54.44 C ATOM 1328 NZ LYS A 93 -5.724 -6.379 -11.911 1.00 55.11 N ATOM 0 H LYS A 93 -4.658 -10.004 -6.021 1.00 33.33 H new ATOM 0 HA LYS A 93 -2.758 -9.363 -7.914 1.00 41.21 H new ATOM 0 HB2 LYS A 93 -5.257 -9.824 -8.160 1.00 14.31 H new ATOM 0 HB3 LYS A 93 -5.541 -8.169 -7.659 1.00 14.31 H new ATOM 0 HG2 LYS A 93 -4.160 -7.337 -9.580 1.00 2.13 H new ATOM 0 HG3 LYS A 93 -3.837 -8.988 -10.073 1.00 2.13 H new ATOM 0 HD2 LYS A 93 -6.263 -9.400 -10.370 1.00 60.50 H new ATOM 0 HD3 LYS A 93 -6.624 -7.779 -9.809 1.00 60.50 H new ATOM 0 HE2 LYS A 93 -4.898 -8.281 -12.256 1.00 54.44 H new ATOM 0 HE3 LYS A 93 -6.647 -8.215 -12.355 1.00 54.44 H new ATOM 0 HZ1 LYS A 93 -5.657 -6.115 -12.915 1.00 55.11 H new ATOM 0 HZ2 LYS A 93 -6.582 -5.960 -11.500 1.00 55.11 H new ATOM 0 HZ3 LYS A 93 -4.888 -6.025 -11.403 1.00 55.11 H new ATOM 1338 N VAL A 94 -3.635 -6.748 -6.110 1.00 35.52 N ATOM 1339 CA VAL A 94 -3.382 -5.331 -5.886 1.00 20.55 C ATOM 1340 C VAL A 94 -1.936 -5.151 -5.420 1.00 52.42 C ATOM 1341 O VAL A 94 -1.187 -4.359 -5.993 1.00 74.41 O ATOM 1342 CB VAL A 94 -4.427 -4.770 -4.895 1.00 61.14 C ATOM 1343 CG1 VAL A 94 -4.114 -3.341 -4.432 1.00 44.13 C ATOM 1344 CG2 VAL A 94 -5.834 -4.809 -5.515 1.00 34.21 C ATOM 0 H VAL A 94 -4.320 -7.156 -5.474 1.00 35.52 H new ATOM 0 HA VAL A 94 -3.493 -4.759 -6.807 1.00 20.55 H new ATOM 0 HB VAL A 94 -4.386 -5.413 -4.016 1.00 61.14 H new ATOM 0 HG11 VAL A 94 -4.885 -3.006 -3.738 1.00 44.13 H new ATOM 0 HG12 VAL A 94 -3.145 -3.324 -3.933 1.00 44.13 H new ATOM 0 HG13 VAL A 94 -4.089 -2.676 -5.295 1.00 44.13 H new ATOM 0 HG21 VAL A 94 -6.557 -4.410 -4.803 1.00 34.21 H new ATOM 0 HG22 VAL A 94 -5.848 -4.206 -6.423 1.00 34.21 H new ATOM 0 HG23 VAL A 94 -6.096 -5.839 -5.759 1.00 34.21 H new ATOM 1354 N LEU A 95 -1.532 -5.912 -4.395 1.00 21.51 N ATOM 1355 CA LEU A 95 -0.186 -5.849 -3.837 1.00 72.52 C ATOM 1356 C LEU A 95 0.851 -6.134 -4.927 1.00 42.03 C ATOM 1357 O LEU A 95 1.873 -5.456 -4.984 1.00 54.21 O ATOM 1358 CB LEU A 95 -0.049 -6.865 -2.685 1.00 15.02 C ATOM 1359 CG LEU A 95 -0.964 -6.611 -1.470 1.00 1.32 C ATOM 1360 CD1 LEU A 95 -0.956 -7.832 -0.543 1.00 2.02 C ATOM 1361 CD2 LEU A 95 -0.561 -5.375 -0.660 1.00 54.34 C ATOM 0 H LEU A 95 -2.137 -6.590 -3.931 1.00 21.51 H new ATOM 0 HA LEU A 95 -0.009 -4.847 -3.445 1.00 72.52 H new ATOM 0 HB2 LEU A 95 -0.258 -7.861 -3.074 1.00 15.02 H new ATOM 0 HB3 LEU A 95 0.987 -6.867 -2.345 1.00 15.02 H new ATOM 0 HG LEU A 95 -1.962 -6.432 -1.870 1.00 1.32 H new ATOM 0 HD11 LEU A 95 -1.605 -7.644 0.312 1.00 2.02 H new ATOM 0 HD12 LEU A 95 -1.317 -8.704 -1.087 1.00 2.02 H new ATOM 0 HD13 LEU A 95 0.060 -8.017 -0.194 1.00 2.02 H new ATOM 0 HD21 LEU A 95 -1.244 -5.252 0.180 1.00 54.34 H new ATOM 0 HD22 LEU A 95 0.455 -5.500 -0.286 1.00 54.34 H new ATOM 0 HD23 LEU A 95 -0.607 -4.492 -1.297 1.00 54.34 H new ATOM 1372 N TYR A 96 0.584 -7.125 -5.783 1.00 54.43 N ATOM 1373 CA TYR A 96 1.492 -7.569 -6.833 1.00 73.43 C ATOM 1374 C TYR A 96 1.810 -6.434 -7.816 1.00 74.12 C ATOM 1375 O TYR A 96 2.963 -6.239 -8.209 1.00 72.31 O ATOM 1376 CB TYR A 96 0.855 -8.781 -7.547 1.00 53.44 C ATOM 1377 CG TYR A 96 1.849 -9.753 -8.145 1.00 12.21 C ATOM 1378 CD1 TYR A 96 2.786 -9.316 -9.094 1.00 54.04 C ATOM 1379 CD2 TYR A 96 1.860 -11.098 -7.731 1.00 40.41 C ATOM 1380 CE1 TYR A 96 3.753 -10.196 -9.589 1.00 44.03 C ATOM 1381 CE2 TYR A 96 2.837 -11.982 -8.216 1.00 71.44 C ATOM 1382 CZ TYR A 96 3.776 -11.539 -9.171 1.00 64.12 C ATOM 1383 OH TYR A 96 4.672 -12.408 -9.712 1.00 51.21 O ATOM 0 H TYR A 96 -0.290 -7.650 -5.761 1.00 54.43 H new ATOM 0 HA TYR A 96 2.444 -7.867 -6.394 1.00 73.43 H new ATOM 0 HB2 TYR A 96 0.226 -9.316 -6.835 1.00 53.44 H new ATOM 0 HB3 TYR A 96 0.201 -8.417 -8.339 1.00 53.44 H new ATOM 0 HD1 TYR A 96 2.760 -8.295 -9.444 1.00 54.04 H new ATOM 0 HD2 TYR A 96 1.113 -11.452 -7.036 1.00 40.41 H new ATOM 0 HE1 TYR A 96 4.488 -9.842 -10.297 1.00 44.03 H new ATOM 0 HE2 TYR A 96 2.870 -13.000 -7.858 1.00 71.44 H new ATOM 0 HH TYR A 96 4.552 -13.294 -9.310 1.00 51.21 H new ATOM 1392 N ASP A 97 0.782 -5.710 -8.257 1.00 33.41 N ATOM 1393 CA ASP A 97 0.892 -4.742 -9.347 1.00 75.54 C ATOM 1394 C ASP A 97 1.555 -3.456 -8.899 1.00 52.14 C ATOM 1395 O ASP A 97 2.431 -2.935 -9.591 1.00 1.45 O ATOM 1396 CB ASP A 97 -0.506 -4.443 -9.886 1.00 60.22 C ATOM 1397 CG ASP A 97 -0.484 -3.967 -11.332 1.00 44.43 C ATOM 1398 OD1 ASP A 97 0.389 -4.385 -12.129 1.00 14.11 O ATOM 1399 OD2 ASP A 97 -1.426 -3.242 -11.716 1.00 51.30 O ATOM 0 H ASP A 97 -0.157 -5.779 -7.865 1.00 33.41 H new ATOM 0 HA ASP A 97 1.518 -5.175 -10.127 1.00 75.54 H new ATOM 0 HB2 ASP A 97 -1.120 -5.340 -9.812 1.00 60.22 H new ATOM 0 HB3 ASP A 97 -0.977 -3.682 -9.264 1.00 60.22 H new ATOM 1403 N LEU A 98 1.205 -2.984 -7.705 1.00 64.21 N ATOM 1404 CA LEU A 98 1.895 -1.887 -7.061 1.00 13.11 C ATOM 1405 C LEU A 98 3.349 -2.266 -6.849 1.00 63.43 C ATOM 1406 O LEU A 98 4.221 -1.491 -7.205 1.00 74.13 O ATOM 1407 CB LEU A 98 1.175 -1.527 -5.756 1.00 31.13 C ATOM 1408 CG LEU A 98 -0.248 -0.999 -6.021 1.00 15.45 C ATOM 1409 CD1 LEU A 98 -0.935 -0.713 -4.689 1.00 63.42 C ATOM 1410 CD2 LEU A 98 -0.246 0.268 -6.881 1.00 13.24 C ATOM 0 H LEU A 98 0.429 -3.359 -7.160 1.00 64.21 H new ATOM 0 HA LEU A 98 1.881 -0.997 -7.690 1.00 13.11 H new ATOM 0 HB2 LEU A 98 1.124 -2.406 -5.113 1.00 31.13 H new ATOM 0 HB3 LEU A 98 1.750 -0.772 -5.219 1.00 31.13 H new ATOM 0 HG LEU A 98 -0.790 -1.767 -6.573 1.00 15.45 H new ATOM 0 HD11 LEU A 98 -1.942 -0.339 -4.872 1.00 63.42 H new ATOM 0 HD12 LEU A 98 -0.989 -1.631 -4.103 1.00 63.42 H new ATOM 0 HD13 LEU A 98 -0.365 0.035 -4.139 1.00 63.42 H new ATOM 0 HD21 LEU A 98 -1.271 0.601 -7.040 1.00 13.24 H new ATOM 0 HD22 LEU A 98 0.316 1.052 -6.373 1.00 13.24 H new ATOM 0 HD23 LEU A 98 0.219 0.054 -7.843 1.00 13.24 H new ATOM 1421 N ALA A 99 3.646 -3.487 -6.401 1.00 54.20 N ATOM 1422 CA ALA A 99 5.020 -3.977 -6.309 1.00 43.43 C ATOM 1423 C ALA A 99 5.743 -4.100 -7.662 1.00 74.12 C ATOM 1424 O ALA A 99 6.917 -4.468 -7.678 1.00 75.30 O ATOM 1425 CB ALA A 99 5.031 -5.328 -5.605 1.00 75.33 C ATOM 0 H ALA A 99 2.944 -4.160 -6.093 1.00 54.20 H new ATOM 0 HA ALA A 99 5.570 -3.228 -5.739 1.00 43.43 H new ATOM 0 HB1 ALA A 99 6.055 -5.694 -5.536 1.00 75.33 H new ATOM 0 HB2 ALA A 99 4.616 -5.219 -4.603 1.00 75.33 H new ATOM 0 HB3 ALA A 99 4.429 -6.039 -6.172 1.00 75.33 H new ATOM 1431 N SER A 100 5.077 -3.845 -8.791 1.00 53.33 N ATOM 1432 CA SER A 100 5.671 -3.751 -10.119 1.00 13.11 C ATOM 1433 C SER A 100 5.860 -2.290 -10.558 1.00 62.11 C ATOM 1434 O SER A 100 6.646 -2.042 -11.479 1.00 32.25 O ATOM 1435 CB SER A 100 4.770 -4.510 -11.110 1.00 12.45 C ATOM 1436 OG SER A 100 5.442 -5.627 -11.664 1.00 63.51 O ATOM 0 H SER A 100 4.068 -3.693 -8.801 1.00 53.33 H new ATOM 0 HA SER A 100 6.664 -4.200 -10.098 1.00 13.11 H new ATOM 0 HB2 SER A 100 3.865 -4.843 -10.601 1.00 12.45 H new ATOM 0 HB3 SER A 100 4.457 -3.838 -11.909 1.00 12.45 H new ATOM 0 HG SER A 100 4.846 -6.091 -12.288 1.00 63.51 H new ATOM 1441 N ASN A 101 5.152 -1.334 -9.950 1.00 3.32 N ATOM 1442 CA ASN A 101 5.072 0.050 -10.426 1.00 41.30 C ATOM 1443 C ASN A 101 5.167 1.084 -9.285 1.00 14.22 C ATOM 1444 O ASN A 101 4.699 2.214 -9.441 1.00 32.22 O ATOM 1445 CB ASN A 101 3.772 0.242 -11.228 1.00 14.11 C ATOM 1446 CG ASN A 101 3.622 -0.691 -12.419 1.00 23.12 C ATOM 1447 OD1 ASN A 101 4.270 -0.520 -13.455 1.00 35.42 O ATOM 1448 ND2 ASN A 101 2.757 -1.684 -12.301 1.00 11.41 N ATOM 0 H ASN A 101 4.611 -1.502 -9.102 1.00 3.32 H new ATOM 0 HA ASN A 101 5.934 0.227 -11.069 1.00 41.30 H new ATOM 0 HB2 ASN A 101 2.923 0.097 -10.560 1.00 14.11 H new ATOM 0 HB3 ASN A 101 3.727 1.272 -11.582 1.00 14.11 H new ATOM 0 HD21 ASN A 101 2.613 -2.330 -13.077 1.00 11.41 H new ATOM 0 HD22 ASN A 101 2.233 -1.804 -11.434 1.00 11.41 H new ATOM 1454 N GLN A 102 5.715 0.741 -8.114 1.00 61.33 N ATOM 1455 CA GLN A 102 5.529 1.536 -6.891 1.00 15.44 C ATOM 1456 C GLN A 102 6.397 2.791 -6.877 1.00 52.14 C ATOM 1457 O GLN A 102 6.273 3.622 -5.975 1.00 62.44 O ATOM 1458 CB GLN A 102 5.791 0.708 -5.614 1.00 15.23 C ATOM 1459 CG GLN A 102 7.092 -0.106 -5.611 1.00 75.24 C ATOM 1460 CD GLN A 102 7.364 -0.753 -4.256 1.00 33.32 C ATOM 1461 OE1 GLN A 102 7.320 -0.108 -3.210 1.00 52.44 O ATOM 1462 NE2 GLN A 102 7.651 -2.042 -4.223 1.00 40.01 N ATOM 0 H GLN A 102 6.295 -0.088 -7.986 1.00 61.33 H new ATOM 0 HA GLN A 102 4.483 1.844 -6.896 1.00 15.44 H new ATOM 0 HB2 GLN A 102 5.804 1.384 -4.759 1.00 15.23 H new ATOM 0 HB3 GLN A 102 4.955 0.025 -5.467 1.00 15.23 H new ATOM 0 HG2 GLN A 102 7.036 -0.880 -6.377 1.00 75.24 H new ATOM 0 HG3 GLN A 102 7.926 0.544 -5.875 1.00 75.24 H new ATOM 0 HE21 GLN A 102 7.688 -2.579 -5.090 1.00 40.01 H new ATOM 0 HE22 GLN A 102 7.836 -2.501 -3.331 1.00 40.01 H new ATOM 1469 N VAL A 103 7.305 2.915 -7.836 1.00 13.34 N ATOM 1470 CA VAL A 103 8.245 4.004 -7.928 1.00 61.35 C ATOM 1471 C VAL A 103 7.634 5.056 -8.845 1.00 55.01 C ATOM 1472 O VAL A 103 7.527 6.220 -8.459 1.00 53.12 O ATOM 1473 CB VAL A 103 9.581 3.460 -8.466 1.00 31.31 C ATOM 1474 CG1 VAL A 103 10.671 4.503 -8.319 1.00 64.42 C ATOM 1475 CG2 VAL A 103 10.035 2.174 -7.764 1.00 20.50 C ATOM 0 H VAL A 103 7.404 2.235 -8.590 1.00 13.34 H new ATOM 0 HA VAL A 103 8.447 4.461 -6.959 1.00 61.35 H new ATOM 0 HB VAL A 103 9.410 3.224 -9.516 1.00 31.31 H new ATOM 0 HG11 VAL A 103 11.610 4.105 -8.703 1.00 64.42 H new ATOM 0 HG12 VAL A 103 10.398 5.396 -8.881 1.00 64.42 H new ATOM 0 HG13 VAL A 103 10.790 4.759 -7.266 1.00 64.42 H new ATOM 0 HG21 VAL A 103 10.982 1.842 -8.189 1.00 20.50 H new ATOM 0 HG22 VAL A 103 10.163 2.367 -6.699 1.00 20.50 H new ATOM 0 HG23 VAL A 103 9.283 1.398 -7.905 1.00 20.50 H new ATOM 1485 N ASP A 104 7.212 4.638 -10.043 1.00 61.53 N ATOM 1486 CA ASP A 104 6.694 5.533 -11.070 1.00 40.42 C ATOM 1487 C ASP A 104 5.386 6.150 -10.596 1.00 34.51 C ATOM 1488 O ASP A 104 5.242 7.374 -10.589 1.00 14.21 O ATOM 1489 CB ASP A 104 6.482 4.786 -12.394 1.00 32.33 C ATOM 1490 CG ASP A 104 6.212 5.735 -13.565 1.00 40.31 C ATOM 1491 OD1 ASP A 104 5.391 6.669 -13.466 1.00 34.33 O ATOM 1492 OD2 ASP A 104 6.908 5.590 -14.596 1.00 74.13 O ATOM 0 H ASP A 104 7.223 3.658 -10.325 1.00 61.53 H new ATOM 0 HA ASP A 104 7.424 6.323 -11.245 1.00 40.42 H new ATOM 0 HB2 ASP A 104 7.364 4.185 -12.614 1.00 32.33 H new ATOM 0 HB3 ASP A 104 5.644 4.096 -12.289 1.00 32.33 H new ATOM 1496 N LEU A 105 4.456 5.298 -10.149 1.00 52.21 N ATOM 1497 CA LEU A 105 3.127 5.710 -9.713 1.00 12.32 C ATOM 1498 C LEU A 105 3.222 6.675 -8.535 1.00 73.11 C ATOM 1499 O LEU A 105 2.413 7.596 -8.430 1.00 3.45 O ATOM 1500 CB LEU A 105 2.278 4.479 -9.336 1.00 34.24 C ATOM 1501 CG LEU A 105 1.989 3.526 -10.514 1.00 71.42 C ATOM 1502 CD1 LEU A 105 1.241 2.281 -10.018 1.00 3.03 C ATOM 1503 CD2 LEU A 105 1.171 4.169 -11.639 1.00 64.42 C ATOM 0 H LEU A 105 4.612 4.292 -10.081 1.00 52.21 H new ATOM 0 HA LEU A 105 2.639 6.227 -10.540 1.00 12.32 H new ATOM 0 HB2 LEU A 105 2.792 3.924 -8.551 1.00 34.24 H new ATOM 0 HB3 LEU A 105 1.331 4.819 -8.918 1.00 34.24 H new ATOM 0 HG LEU A 105 2.963 3.262 -10.926 1.00 71.42 H new ATOM 0 HD11 LEU A 105 1.043 1.616 -10.859 1.00 3.03 H new ATOM 0 HD12 LEU A 105 1.851 1.760 -9.280 1.00 3.03 H new ATOM 0 HD13 LEU A 105 0.297 2.581 -9.563 1.00 3.03 H new ATOM 0 HD21 LEU A 105 1.007 3.440 -12.432 1.00 64.42 H new ATOM 0 HD22 LEU A 105 0.210 4.500 -11.246 1.00 64.42 H new ATOM 0 HD23 LEU A 105 1.714 5.025 -12.040 1.00 64.42 H new ATOM 1514 N TRP A 106 4.220 6.485 -7.670 1.00 62.43 N ATOM 1515 CA TRP A 106 4.479 7.394 -6.574 1.00 63.44 C ATOM 1516 C TRP A 106 4.962 8.740 -7.114 1.00 44.11 C ATOM 1517 O TRP A 106 4.342 9.752 -6.802 1.00 52.02 O ATOM 1518 CB TRP A 106 5.463 6.761 -5.586 1.00 35.14 C ATOM 1519 CG TRP A 106 5.723 7.554 -4.344 1.00 24.22 C ATOM 1520 CD1 TRP A 106 6.943 7.913 -3.892 1.00 34.23 C ATOM 1521 CD2 TRP A 106 4.768 8.100 -3.385 1.00 13.14 C ATOM 1522 NE1 TRP A 106 6.804 8.647 -2.733 1.00 71.11 N ATOM 1523 CE2 TRP A 106 5.487 8.783 -2.363 1.00 41.41 C ATOM 1524 CE3 TRP A 106 3.364 8.084 -3.267 1.00 62.53 C ATOM 1525 CZ2 TRP A 106 4.852 9.409 -1.279 1.00 72.23 C ATOM 1526 CZ3 TRP A 106 2.715 8.717 -2.194 1.00 1.23 C ATOM 1527 CH2 TRP A 106 3.451 9.372 -1.195 1.00 3.32 C ATOM 0 H TRP A 106 4.865 5.696 -7.717 1.00 62.43 H new ATOM 0 HA TRP A 106 3.557 7.584 -6.024 1.00 63.44 H new ATOM 0 HB2 TRP A 106 5.083 5.781 -5.298 1.00 35.14 H new ATOM 0 HB3 TRP A 106 6.411 6.598 -6.098 1.00 35.14 H new ATOM 0 HD1 TRP A 106 7.882 7.664 -4.364 1.00 34.23 H new ATOM 0 HE1 TRP A 106 7.586 9.043 -2.212 1.00 71.11 H new ATOM 0 HE3 TRP A 106 2.775 7.575 -4.016 1.00 62.53 H new ATOM 0 HZ2 TRP A 106 5.433 9.912 -0.520 1.00 72.23 H new ATOM 0 HZ3 TRP A 106 1.637 8.699 -2.137 1.00 1.23 H new ATOM 0 HH2 TRP A 106 2.943 9.844 -0.367 1.00 3.32 H new ATOM 1537 N GLU A 107 6.015 8.773 -7.941 1.00 2.34 N ATOM 1538 CA GLU A 107 6.548 10.001 -8.551 1.00 64.23 C ATOM 1539 C GLU A 107 5.467 10.786 -9.299 1.00 23.51 C ATOM 1540 O GLU A 107 5.519 12.015 -9.366 1.00 24.33 O ATOM 1541 CB GLU A 107 7.716 9.665 -9.503 1.00 40.02 C ATOM 1542 CG GLU A 107 9.096 10.020 -8.937 1.00 41.11 C ATOM 1543 CD GLU A 107 9.481 11.507 -9.004 1.00 43.11 C ATOM 1544 OE1 GLU A 107 8.621 12.412 -8.919 1.00 44.41 O ATOM 1545 OE2 GLU A 107 10.703 11.805 -8.995 1.00 52.23 O ATOM 0 H GLU A 107 6.530 7.934 -8.210 1.00 2.34 H new ATOM 0 HA GLU A 107 6.913 10.633 -7.742 1.00 64.23 H new ATOM 0 HB2 GLU A 107 7.691 8.600 -9.733 1.00 40.02 H new ATOM 0 HB3 GLU A 107 7.571 10.197 -10.443 1.00 40.02 H new ATOM 0 HG2 GLU A 107 9.135 9.700 -7.896 1.00 41.11 H new ATOM 0 HG3 GLU A 107 9.849 9.444 -9.476 1.00 41.11 H new ATOM 1550 N ASN A 108 4.467 10.093 -9.848 1.00 41.13 N ATOM 1551 CA ASN A 108 3.323 10.738 -10.469 1.00 55.23 C ATOM 1552 C ASN A 108 2.561 11.586 -9.455 1.00 13.01 C ATOM 1553 O ASN A 108 2.350 12.778 -9.688 1.00 75.50 O ATOM 1554 CB ASN A 108 2.412 9.699 -11.117 1.00 40.24 C ATOM 1555 CG ASN A 108 1.559 10.375 -12.169 1.00 54.12 C ATOM 1556 OD1 ASN A 108 0.471 10.888 -11.900 1.00 63.11 O ATOM 1557 ND2 ASN A 108 2.040 10.396 -13.401 1.00 11.24 N ATOM 0 H ASN A 108 4.433 9.074 -9.871 1.00 41.13 H new ATOM 0 HA ASN A 108 3.685 11.405 -11.251 1.00 55.23 H new ATOM 0 HB2 ASN A 108 3.008 8.906 -11.569 1.00 40.24 H new ATOM 0 HB3 ASN A 108 1.779 9.232 -10.363 1.00 40.24 H new ATOM 0 HD21 ASN A 108 1.508 10.842 -14.148 1.00 11.24 H new ATOM 0 HD22 ASN A 108 2.942 9.966 -13.604 1.00 11.24 H new ATOM 1563 N TYR A 109 2.186 10.991 -8.319 1.00 22.32 N ATOM 1564 CA TYR A 109 1.567 11.715 -7.219 1.00 41.11 C ATOM 1565 C TYR A 109 2.472 12.838 -6.749 1.00 3.01 C ATOM 1566 O TYR A 109 1.978 13.943 -6.551 1.00 20.33 O ATOM 1567 CB TYR A 109 1.237 10.794 -6.036 1.00 32.42 C ATOM 1568 CG TYR A 109 0.144 9.779 -6.314 1.00 11.42 C ATOM 1569 CD1 TYR A 109 -1.101 10.190 -6.827 1.00 55.42 C ATOM 1570 CD2 TYR A 109 0.383 8.413 -6.083 1.00 44.44 C ATOM 1571 CE1 TYR A 109 -2.086 9.241 -7.146 1.00 43.01 C ATOM 1572 CE2 TYR A 109 -0.599 7.455 -6.378 1.00 14.22 C ATOM 1573 CZ TYR A 109 -1.834 7.867 -6.936 1.00 42.22 C ATOM 1574 OH TYR A 109 -2.786 6.956 -7.270 1.00 11.05 O ATOM 0 H TYR A 109 2.306 9.994 -8.142 1.00 22.32 H new ATOM 0 HA TYR A 109 0.631 12.129 -7.595 1.00 41.11 H new ATOM 0 HB2 TYR A 109 2.142 10.263 -5.742 1.00 32.42 H new ATOM 0 HB3 TYR A 109 0.938 11.408 -5.187 1.00 32.42 H new ATOM 0 HD1 TYR A 109 -1.300 11.241 -6.976 1.00 55.42 H new ATOM 0 HD2 TYR A 109 1.332 8.098 -5.674 1.00 44.44 H new ATOM 0 HE1 TYR A 109 -3.035 9.561 -7.551 1.00 43.01 H new ATOM 0 HE2 TYR A 109 -0.414 6.409 -6.181 1.00 14.22 H new ATOM 0 HH TYR A 109 -2.396 6.057 -7.261 1.00 11.05 H new ATOM 1583 N LEU A 110 3.772 12.596 -6.559 1.00 72.43 N ATOM 1584 CA LEU A 110 4.677 13.601 -6.020 1.00 41.23 C ATOM 1585 C LEU A 110 4.732 14.853 -6.888 1.00 32.23 C ATOM 1586 O LEU A 110 4.859 15.953 -6.343 1.00 40.02 O ATOM 1587 CB LEU A 110 6.083 13.013 -5.892 1.00 71.45 C ATOM 1588 CG LEU A 110 6.215 11.838 -4.914 1.00 34.40 C ATOM 1589 CD1 LEU A 110 7.686 11.447 -4.848 1.00 21.43 C ATOM 1590 CD2 LEU A 110 5.646 12.196 -3.544 1.00 74.23 C ATOM 0 H LEU A 110 4.219 11.704 -6.774 1.00 72.43 H new ATOM 0 HA LEU A 110 4.295 13.891 -5.041 1.00 41.23 H new ATOM 0 HB2 LEU A 110 6.412 12.683 -6.877 1.00 71.45 H new ATOM 0 HB3 LEU A 110 6.763 13.805 -5.577 1.00 71.45 H new ATOM 0 HG LEU A 110 5.634 10.984 -5.263 1.00 34.40 H new ATOM 0 HD11 LEU A 110 7.810 10.612 -4.158 1.00 21.43 H new ATOM 0 HD12 LEU A 110 8.029 11.153 -5.840 1.00 21.43 H new ATOM 0 HD13 LEU A 110 8.273 12.296 -4.498 1.00 21.43 H new ATOM 0 HD21 LEU A 110 5.753 11.345 -2.872 1.00 74.23 H new ATOM 0 HD22 LEU A 110 6.187 13.050 -3.137 1.00 74.23 H new ATOM 0 HD23 LEU A 110 4.590 12.449 -3.643 1.00 74.23 H new ATOM 1601 N ALA A 111 4.620 14.700 -8.208 1.00 63.51 N ATOM 1602 CA ALA A 111 4.457 15.809 -9.128 1.00 64.45 C ATOM 1603 C ALA A 111 3.095 16.471 -8.914 1.00 44.34 C ATOM 1604 O ALA A 111 3.021 17.647 -8.545 1.00 22.32 O ATOM 1605 CB ALA A 111 4.637 15.302 -10.561 1.00 42.12 C ATOM 0 H ALA A 111 4.641 13.789 -8.666 1.00 63.51 H new ATOM 0 HA ALA A 111 5.215 16.570 -8.942 1.00 64.45 H new ATOM 0 HB1 ALA A 111 4.516 16.131 -11.258 1.00 42.12 H new ATOM 0 HB2 ALA A 111 5.634 14.876 -10.674 1.00 42.12 H new ATOM 0 HB3 ALA A 111 3.890 14.537 -10.773 1.00 42.12 H new ATOM 1611 N ARG A 112 2.002 15.720 -9.107 1.00 32.30 N ATOM 1612 CA ARG A 112 0.642 16.270 -9.058 1.00 15.33 C ATOM 1613 C ARG A 112 0.312 16.906 -7.708 1.00 24.51 C ATOM 1614 O ARG A 112 -0.570 17.756 -7.639 1.00 21.10 O ATOM 1615 CB ARG A 112 -0.416 15.208 -9.396 1.00 42.41 C ATOM 1616 CG ARG A 112 -0.191 14.508 -10.745 1.00 2.22 C ATOM 1617 CD ARG A 112 -1.467 14.343 -11.577 1.00 43.01 C ATOM 1618 NE ARG A 112 -1.577 15.401 -12.591 1.00 40.44 N ATOM 1619 CZ ARG A 112 -2.390 15.386 -13.650 1.00 14.21 C ATOM 1620 NH1 ARG A 112 -3.404 14.528 -13.713 1.00 44.01 N ATOM 1621 NH2 ARG A 112 -2.188 16.222 -14.661 1.00 14.04 N ATOM 0 H ARG A 112 2.036 14.719 -9.301 1.00 32.30 H new ATOM 0 HA ARG A 112 0.615 17.052 -9.817 1.00 15.33 H new ATOM 0 HB2 ARG A 112 -0.427 14.457 -8.606 1.00 42.41 H new ATOM 0 HB3 ARG A 112 -1.399 15.679 -9.402 1.00 42.41 H new ATOM 0 HG2 ARG A 112 0.537 15.078 -11.322 1.00 2.22 H new ATOM 0 HG3 ARG A 112 0.244 13.525 -10.565 1.00 2.22 H new ATOM 0 HD2 ARG A 112 -1.464 13.368 -12.063 1.00 43.01 H new ATOM 0 HD3 ARG A 112 -2.338 14.370 -10.922 1.00 43.01 H new ATOM 0 HE ARG A 112 -0.979 16.219 -12.476 1.00 40.44 H new ATOM 0 HH11 ARG A 112 -3.566 13.873 -12.948 1.00 44.01 H new ATOM 0 HH12 ARG A 112 -4.019 14.525 -14.526 1.00 44.01 H new ATOM 0 HH21 ARG A 112 -1.409 16.880 -14.631 1.00 14.04 H new ATOM 0 HH22 ARG A 112 -2.812 16.207 -15.468 1.00 14.04 H new ATOM 1632 N LEU A 113 1.019 16.529 -6.645 1.00 3.32 N ATOM 1633 CA LEU A 113 0.925 17.060 -5.302 1.00 35.20 C ATOM 1634 C LEU A 113 1.238 18.545 -5.339 1.00 24.20 C ATOM 1635 O LEU A 113 0.383 19.354 -4.967 1.00 62.21 O ATOM 1636 CB LEU A 113 1.870 16.257 -4.392 1.00 23.33 C ATOM 1637 CG LEU A 113 1.778 16.581 -2.897 1.00 21.13 C ATOM 1638 CD1 LEU A 113 2.445 15.466 -2.102 1.00 42.21 C ATOM 1639 CD2 LEU A 113 2.434 17.900 -2.483 1.00 20.50 C ATOM 0 H LEU A 113 1.720 15.791 -6.713 1.00 3.32 H new ATOM 0 HA LEU A 113 -0.080 16.959 -4.893 1.00 35.20 H new ATOM 0 HB2 LEU A 113 1.664 15.196 -4.529 1.00 23.33 H new ATOM 0 HB3 LEU A 113 2.895 16.428 -4.721 1.00 23.33 H new ATOM 0 HG LEU A 113 0.713 16.675 -2.687 1.00 21.13 H new ATOM 0 HD11 LEU A 113 2.383 15.691 -1.037 1.00 42.21 H new ATOM 0 HD12 LEU A 113 1.939 14.522 -2.304 1.00 42.21 H new ATOM 0 HD13 LEU A 113 3.492 15.386 -2.395 1.00 42.21 H new ATOM 0 HD21 LEU A 113 2.318 18.043 -1.409 1.00 20.50 H new ATOM 0 HD22 LEU A 113 3.495 17.873 -2.733 1.00 20.50 H new ATOM 0 HD23 LEU A 113 1.957 18.725 -3.012 1.00 20.50 H new ATOM 1650 N ARG A 114 2.452 18.913 -5.766 1.00 61.22 N ATOM 1651 CA ARG A 114 2.840 20.315 -5.791 1.00 1.10 C ATOM 1652 C ARG A 114 2.114 21.042 -6.909 1.00 75.33 C ATOM 1653 O ARG A 114 1.677 22.175 -6.715 1.00 13.24 O ATOM 1654 CB ARG A 114 4.350 20.506 -6.002 1.00 53.32 C ATOM 1655 CG ARG A 114 5.276 20.082 -4.855 1.00 61.24 C ATOM 1656 CD ARG A 114 5.804 18.654 -5.024 1.00 15.00 C ATOM 1657 NE ARG A 114 7.068 18.461 -4.300 1.00 61.35 N ATOM 1658 CZ ARG A 114 7.758 17.319 -4.232 1.00 11.44 C ATOM 1659 NH1 ARG A 114 7.327 16.220 -4.836 1.00 34.10 N ATOM 1660 NH2 ARG A 114 8.887 17.275 -3.542 1.00 1.21 N ATOM 0 H ARG A 114 3.168 18.265 -6.093 1.00 61.22 H new ATOM 0 HA ARG A 114 2.570 20.725 -4.818 1.00 1.10 H new ATOM 0 HB2 ARG A 114 4.640 19.950 -6.894 1.00 53.32 H new ATOM 0 HB3 ARG A 114 4.531 21.560 -6.211 1.00 53.32 H new ATOM 0 HG2 ARG A 114 6.117 20.773 -4.798 1.00 61.24 H new ATOM 0 HG3 ARG A 114 4.737 20.157 -3.911 1.00 61.24 H new ATOM 0 HD2 ARG A 114 5.062 17.944 -4.659 1.00 15.00 H new ATOM 0 HD3 ARG A 114 5.953 18.443 -6.083 1.00 15.00 H new ATOM 0 HE ARG A 114 7.451 19.268 -3.807 1.00 61.35 H new ATOM 0 HH11 ARG A 114 6.455 16.237 -5.364 1.00 34.10 H new ATOM 0 HH12 ARG A 114 7.868 15.358 -4.773 1.00 34.10 H new ATOM 0 HH21 ARG A 114 9.226 18.111 -3.065 1.00 1.21 H new ATOM 0 HH22 ARG A 114 9.418 16.406 -3.487 1.00 1.21 H new ATOM 1671 N ALA A 115 1.947 20.390 -8.062 1.00 73.12 N ATOM 1672 CA ALA A 115 1.290 20.982 -9.206 1.00 44.25 C ATOM 1673 C ALA A 115 -0.195 21.189 -8.920 1.00 21.42 C ATOM 1674 O ALA A 115 -0.849 21.899 -9.685 1.00 33.43 O ATOM 1675 CB ALA A 115 1.494 20.105 -10.443 1.00 63.31 C ATOM 0 H ALA A 115 2.268 19.435 -8.218 1.00 73.12 H new ATOM 0 HA ALA A 115 1.734 21.958 -9.402 1.00 44.25 H new ATOM 0 HB1 ALA A 115 0.995 20.561 -11.298 1.00 63.31 H new ATOM 0 HB2 ALA A 115 2.560 20.013 -10.652 1.00 63.31 H new ATOM 0 HB3 ALA A 115 1.073 19.116 -10.261 1.00 63.31 H new ATOM 1681 N ALA A 116 -0.736 20.608 -7.837 1.00 13.10 N ATOM 1682 CA ALA A 116 -1.952 21.099 -7.268 1.00 43.05 C ATOM 1683 C ALA A 116 -1.555 22.208 -6.308 1.00 71.52 C ATOM 1684 O ALA A 116 -1.396 23.347 -6.738 1.00 41.23 O ATOM 1685 CB ALA A 116 -2.734 19.940 -6.627 1.00 52.12 C ATOM 0 H ALA A 116 -0.335 19.803 -7.357 1.00 13.10 H new ATOM 0 HA ALA A 116 -2.637 21.516 -8.006 1.00 43.05 H new ATOM 0 HB1 ALA A 116 -3.660 20.321 -6.195 1.00 52.12 H new ATOM 0 HB2 ALA A 116 -2.968 19.195 -7.387 1.00 52.12 H new ATOM 0 HB3 ALA A 116 -2.130 19.482 -5.844 1.00 52.12 H new ATOM 1691 N LYS A 117 -1.267 21.855 -5.053 1.00 55.33 N ATOM 1692 CA LYS A 117 -1.037 22.767 -3.934 1.00 1.00 C ATOM 1693 C LYS A 117 -0.803 22.024 -2.613 1.00 60.15 C ATOM 1694 O LYS A 117 -0.792 22.644 -1.546 1.00 0.30 O ATOM 1695 CB LYS A 117 -2.120 23.860 -3.798 1.00 75.33 C ATOM 1696 CG LYS A 117 -3.523 23.556 -4.301 1.00 62.23 C ATOM 1697 CD LYS A 117 -4.074 22.293 -3.673 1.00 61.52 C ATOM 1698 CE LYS A 117 -5.088 22.583 -2.566 1.00 14.30 C ATOM 1699 NZ LYS A 117 -6.264 21.687 -2.601 1.00 33.25 N ATOM 0 H LYS A 117 -1.184 20.876 -4.778 1.00 55.33 H new ATOM 0 HA LYS A 117 -0.113 23.292 -4.175 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -2.196 24.123 -2.743 1.00 75.33 H new ATOM 0 HB3 LYS A 117 -1.764 24.747 -4.323 1.00 75.33 H new ATOM 0 HG2 LYS A 117 -4.182 24.394 -4.074 1.00 62.23 H new ATOM 0 HG3 LYS A 117 -3.507 23.448 -5.385 1.00 62.23 H new ATOM 0 HD2 LYS A 117 -4.547 21.684 -4.444 1.00 61.52 H new ATOM 0 HD3 LYS A 117 -3.252 21.706 -3.263 1.00 61.52 H new ATOM 0 HE2 LYS A 117 -4.596 22.488 -1.598 1.00 14.30 H new ATOM 0 HE3 LYS A 117 -5.424 23.616 -2.652 1.00 14.30 H new ATOM 0 HZ1 LYS A 117 -6.912 21.935 -1.826 1.00 33.25 H new ATOM 0 HZ2 LYS A 117 -6.755 21.794 -3.511 1.00 33.25 H new ATOM 0 HZ3 LYS A 117 -5.953 20.701 -2.490 1.00 33.25 H new ATOM 1709 N ALA A 118 -0.802 20.687 -2.648 1.00 42.23 N ATOM 1710 CA ALA A 118 -1.193 19.912 -1.478 1.00 71.14 C ATOM 1711 C ALA A 118 -0.049 19.800 -0.466 1.00 20.43 C ATOM 1712 O ALA A 118 1.095 20.135 -0.774 1.00 31.31 O ATOM 1713 CB ALA A 118 -1.705 18.549 -1.946 1.00 4.23 C ATOM 0 H ALA A 118 -0.539 20.131 -3.462 1.00 42.23 H new ATOM 0 HA ALA A 118 -1.997 20.423 -0.948 1.00 71.14 H new ATOM 0 HB1 ALA A 118 -2.002 17.956 -1.081 1.00 4.23 H new ATOM 0 HB2 ALA A 118 -2.564 18.689 -2.603 1.00 4.23 H new ATOM 0 HB3 ALA A 118 -0.914 18.030 -2.488 1.00 4.23 H new ATOM 1719 N SER A 119 -0.350 19.314 0.738 1.00 14.24 N ATOM 1720 CA SER A 119 0.662 19.090 1.771 1.00 64.23 C ATOM 1721 C SER A 119 1.570 17.925 1.380 1.00 1.30 C ATOM 1722 O SER A 119 1.145 17.009 0.678 1.00 40.15 O ATOM 1723 CB SER A 119 0.011 18.763 3.115 1.00 65.23 C ATOM 1724 OG SER A 119 -0.867 19.789 3.532 1.00 54.05 O ATOM 0 H SER A 119 -1.297 19.065 1.024 1.00 14.24 H new ATOM 0 HA SER A 119 1.244 20.007 1.863 1.00 64.23 H new ATOM 0 HB2 SER A 119 -0.537 17.824 3.035 1.00 65.23 H new ATOM 0 HB3 SER A 119 0.785 18.617 3.869 1.00 65.23 H new ATOM 0 HG SER A 119 -1.267 19.547 4.393 1.00 54.05 H new ATOM 1729 N ARG A 120 2.796 17.896 1.903 1.00 35.42 N ATOM 1730 CA ARG A 120 3.751 16.816 1.681 1.00 24.43 C ATOM 1731 C ARG A 120 4.342 16.444 3.033 1.00 74.12 C ATOM 1732 O ARG A 120 5.460 16.836 3.354 1.00 42.35 O ATOM 1733 CB ARG A 120 4.785 17.183 0.593 1.00 12.44 C ATOM 1734 CG ARG A 120 5.421 18.581 0.668 1.00 54.23 C ATOM 1735 CD ARG A 120 6.954 18.547 0.604 1.00 23.24 C ATOM 1736 NE ARG A 120 7.525 17.945 1.820 1.00 34.32 N ATOM 1737 CZ ARG A 120 8.580 18.379 2.514 1.00 53.12 C ATOM 1738 NH1 ARG A 120 9.389 19.306 2.009 1.00 54.15 N ATOM 1739 NH2 ARG A 120 8.808 17.902 3.726 1.00 35.22 N ATOM 0 H ARG A 120 3.157 18.637 2.503 1.00 35.42 H new ATOM 0 HA ARG A 120 3.264 15.930 1.274 1.00 24.43 H new ATOM 0 HB2 ARG A 120 5.587 16.445 0.627 1.00 12.44 H new ATOM 0 HB3 ARG A 120 4.302 17.084 -0.379 1.00 12.44 H new ATOM 0 HG2 ARG A 120 5.042 19.191 -0.152 1.00 54.23 H new ATOM 0 HG3 ARG A 120 5.112 19.065 1.594 1.00 54.23 H new ATOM 0 HD2 ARG A 120 7.271 17.978 -0.270 1.00 23.24 H new ATOM 0 HD3 ARG A 120 7.338 19.560 0.482 1.00 23.24 H new ATOM 0 HE ARG A 120 7.065 17.105 2.171 1.00 34.32 H new ATOM 0 HH11 ARG A 120 9.206 19.693 1.083 1.00 54.15 H new ATOM 0 HH12 ARG A 120 10.192 19.630 2.548 1.00 54.15 H new ATOM 0 HH21 ARG A 120 8.179 17.206 4.127 1.00 35.22 H new ATOM 0 HH22 ARG A 120 9.613 18.230 4.260 1.00 35.22 H new ATOM 1750 N GLU A 121 3.556 15.730 3.835 1.00 54.12 N ATOM 1751 CA GLU A 121 3.889 15.270 5.183 1.00 13.04 C ATOM 1752 C GLU A 121 5.245 14.539 5.264 1.00 0.40 C ATOM 1753 O GLU A 121 5.783 14.125 4.234 1.00 21.21 O ATOM 1754 CB GLU A 121 2.726 14.388 5.690 1.00 3.20 C ATOM 1755 CG GLU A 121 1.386 15.125 5.825 1.00 65.54 C ATOM 1756 CD GLU A 121 1.519 16.479 6.526 1.00 11.30 C ATOM 1757 OE1 GLU A 121 2.269 16.595 7.515 1.00 51.21 O ATOM 1758 OE2 GLU A 121 0.940 17.470 6.018 1.00 23.34 O ATOM 0 H GLU A 121 2.621 15.441 3.548 1.00 54.12 H new ATOM 0 HA GLU A 121 4.010 16.140 5.828 1.00 13.04 H new ATOM 0 HB2 GLU A 121 2.598 13.548 5.007 1.00 3.20 H new ATOM 0 HB3 GLU A 121 2.998 13.972 6.660 1.00 3.20 H new ATOM 0 HG2 GLU A 121 0.958 15.275 4.834 1.00 65.54 H new ATOM 0 HG3 GLU A 121 0.688 14.500 6.382 1.00 65.54 H new ATOM 1763 N PRO A 122 5.839 14.420 6.464 1.00 52.11 N ATOM 1764 CA PRO A 122 7.193 13.906 6.633 1.00 73.42 C ATOM 1765 C PRO A 122 7.294 12.404 6.427 1.00 23.23 C ATOM 1766 O PRO A 122 6.755 11.633 7.205 1.00 15.30 O ATOM 1767 CB PRO A 122 7.596 14.272 8.057 1.00 23.50 C ATOM 1768 CG PRO A 122 6.261 14.369 8.795 1.00 41.01 C ATOM 1769 CD PRO A 122 5.358 14.972 7.724 1.00 12.30 C ATOM 0 HA PRO A 122 7.851 14.342 5.881 1.00 73.42 H new ATOM 0 HB2 PRO A 122 8.244 13.514 8.498 1.00 23.50 H new ATOM 0 HB3 PRO A 122 8.141 15.215 8.089 1.00 23.50 H new ATOM 0 HG2 PRO A 122 5.906 13.394 9.128 1.00 41.01 H new ATOM 0 HG3 PRO A 122 6.327 15.003 9.679 1.00 41.01 H new ATOM 0 HD2 PRO A 122 4.314 14.710 7.896 1.00 12.30 H new ATOM 0 HD3 PRO A 122 5.418 16.060 7.726 1.00 12.30 H new